From 8dad31151797bb1614e697b5eb6ad7c875f30160 Mon Sep 17 00:00:00 2001 From: Geoffrey Hutchison Date: Mon, 20 Nov 2006 18:43:41 +0000 Subject: [PATCH] * src/atom.h, src/base.h, src/bond.h, src/residue.h, src/mol.h, src/ring.h, src/mol.cpp, src/base.cpp, src/obiter.h: Remove OBNodeBase, OBEdgeBase, and OBGraphBase classes, contributed by Gerd Menche. * tools/obprop.cpp: Ditto. Example of changing iterators to new format. * scripts/*: Updated based on above changes. --- ChangeLog | 25 +- scripts/java/CharPtrLess.java | 4 +- scripts/java/DoubleType.java | 12 +- scripts/java/OBAngle.java | 14 +- scripts/java/OBAngleData.java | 14 +- scripts/java/OBAtom.java | 299 +- scripts/java/OBAtomAtomIter.java | 369 +- scripts/java/OBAtomBondIter.java | 214 +- scripts/java/OBBase.java | 32 +- scripts/java/OBBond.java | 135 +- scripts/java/OBChiralData.java | 22 +- scripts/java/OBCommentData.java | 16 +- scripts/java/OBConformerData.java | 34 +- scripts/java/OBConversion.java | 130 +- scripts/java/OBEdgeBase.java | 44 +- scripts/java/OBElement.java | 32 +- scripts/java/OBElementTable.java | 44 +- scripts/java/OBError.java | 30 +- scripts/java/OBExternalBond.java | 20 +- scripts/java/OBExternalBondData.java | 12 +- scripts/java/OBFormat.java | 26 +- scripts/java/OBGenericData.java | 18 +- scripts/java/OBGlobalDataBase.java | 14 +- scripts/java/OBGraphBase.java | 18 +- scripts/java/OBIsotopeTable.java | 14 +- scripts/java/OBMessageHandler.java | 46 +- scripts/java/OBMol.java | 384 +- scripts/java/OBMolAtomBFSIter.java | 365 +- scripts/java/OBMolAtomDFSIter.java | 365 +- scripts/java/OBMolAtomIter.java | 369 +- scripts/java/OBMolBondIter.java | 214 +- scripts/java/OBNodeBase.java | 58 +- scripts/java/OBPairData.java | 12 +- scripts/java/OBRTree.java | 10 +- scripts/java/OBRandom.java | 14 +- scripts/java/OBResidue.java | 78 +- scripts/java/OBResidueAtomIter.java | 369 +- scripts/java/OBResidueData.java | 20 +- scripts/java/OBResidueIter.java | 110 +- scripts/java/OBRing.java | 34 +- scripts/java/OBRingData.java | 16 +- scripts/java/OBRingSearch.java | 18 +- scripts/java/OBSSMatch.java | 8 +- scripts/java/OBSerialNums.java | 14 +- scripts/java/OBSetData.java | 22 +- scripts/java/OBSmartsPattern.java | 50 +- scripts/java/OBSqrtTbl.java | 10 +- scripts/java/OBStopwatch.java | 10 +- scripts/java/OBSymmetryData.java | 22 +- scripts/java/OBTorsion.java | 32 +- scripts/java/OBTorsionData.java | 16 +- scripts/java/OBTypeTable.java | 22 +- scripts/java/OBUnitCell.java | 54 +- scripts/java/OBVirtualBond.java | 20 +- scripts/java/net.sourceforge.openbabel.java | 709 - .../net.sourceforge.openbabelConstants.java | 88 - scripts/java/obLogBuf.java | 4 +- scripts/java/openbabel.java | 709 + scripts/java/openbabelConstants.java | 88 + ...ge.openbabelJNI.java => openbabelJNI.java} | 184 +- scripts/java/openbabel_java.cpp | 34567 ++++++++++++++++ scripts/java/vVector3.java | 22 +- scripts/java/vector3.java | 50 +- scripts/java/vectorBond.java | 22 +- scripts/java/vectorData.java | 22 +- scripts/java/vectorDouble.java | 22 +- scripts/java/vectorInt.java | 22 +- scripts/java/vectorMol.java | 22 +- scripts/java/vectorResidue.java | 22 +- scripts/java/vectorRing.java | 22 +- scripts/java/vectorTOBBond_pt__iterator.java | 25 + scripts/java/vvInt.java | 22 +- scripts/openbabel-java.i | 2 +- scripts/perl/OpenBabel.pm | 282 +- scripts/perl/openbabel_perl.cpp | 6596 +-- scripts/python/openbabel.py | 183 +- scripts/python/openbabel_python.cpp | 5465 +-- scripts/ruby/openbabel_ruby.cpp | 5644 +-- src/atom.h | 54 +- src/base.cpp | 208 +- src/base.h | 338 - src/bond.h | 34 +- src/mol.cpp | 3 +- src/mol.h | 40 +- src/obiter.h | 8 +- src/residue.h | 11 +- src/ring.h | 2 +- tools/obprop.cpp | 30 +- 88 files changed, 43343 insertions(+), 16533 deletions(-) delete mode 100644 scripts/java/net.sourceforge.openbabel.java delete mode 100644 scripts/java/net.sourceforge.openbabelConstants.java create mode 100644 scripts/java/openbabel.java create mode 100644 scripts/java/openbabelConstants.java rename scripts/java/{net.sourceforge.openbabelJNI.java => openbabelJNI.java} (95%) create mode 100644 scripts/java/openbabel_java.cpp create mode 100644 scripts/java/vectorTOBBond_pt__iterator.java diff --git a/ChangeLog b/ChangeLog index cc3e2224c..f3e71a0ba 100644 --- a/ChangeLog +++ b/ChangeLog @@ -1,3 +1,17 @@ +2006-11-20 Geoffrey Hutchison + + * src/atom.h, src/base.h, src/bond.h, src/residue.h, src/mol.h, + src/ring.h, src/mol.cpp, src/base.cpp, src/obiter.h: Remove + OBNodeBase, OBEdgeBase, and OBGraphBase classes, contributed by + Gerd Menche. + + * tools/obprop.cpp: Ditto. Example of changing iterators to new format. + + * scripts/*: Updated based on above changes. + + * src/formats/xml/cmlformat.cpp: Change size_t to + string::size_type to be sure of 64-bit correctness. + 2006-11-17 Chris Morley windows-vc2005: Added projects for OpenBabelDLL, OBComLn, and OBGUII @@ -43,7 +57,7 @@ all unit tests, and to have API documentation in docstrings. * scripts/python/testpyopenbabel.py: Added complete coverage unit tests - for pyopenbabel.py + for pyopenbabel.py. * scripts/python/test/*: Removed previous attempts at testing @@ -51,12 +65,11 @@ providing documentation (we now have a wiki, and API documentation) * scripts/python/head.sdf: Added small test file, used by - testpyopenbabel.py + testpyopenbabel.py. * scripts/python/pyopenbabelapi.html: Added API documentation for pyopenbabel.py, automatically generated using "pydoc -w" - 2006-11-09 Donald E. Curtis * src/formats/gamessformat.cpp: Gamess output parsing now only gathers @@ -90,12 +103,12 @@ * src/formats/xml/cmlformat.cpp(WriteMolecule): Output new namespace URL rather than the old one. - * src/obutil.cpp; Remove static from Solvelinear() and + * src/obutil.cpp" Remove static from Solvelinear() and SolveQuadratic() so that would compile on VC8. - * windows-vc2005/babelconfig.h; Extra macro definitions. + * windows-vc2005/babelconfig.h: Extra macro definitions. - * windows-vc2005/libinchi.dll windows-vc2005/libinchi.lib + * windows-vc2005/libinchi.dll, windows-vc2005/libinchi.lib: 1.01 versions from NIST 2006-11-06 Geoffrey Hutchison diff --git a/scripts/java/CharPtrLess.java b/scripts/java/CharPtrLess.java index 1da3439c4..378d842fc 100644 --- a/scripts/java/CharPtrLess.java +++ b/scripts/java/CharPtrLess.java @@ -27,13 +27,13 @@ public class CharPtrLess { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_CharPtrLess(swigCPtr); + openbabelJNI.delete_CharPtrLess(swigCPtr); } swigCPtr = 0; } public CharPtrLess() { - this(net.sourceforge.openbabelJNI.new_CharPtrLess(), true); + this(openbabelJNI.new_CharPtrLess(), true); } } diff --git a/scripts/java/DoubleType.java b/scripts/java/DoubleType.java index 295b39053..f93fdfee2 100644 --- a/scripts/java/DoubleType.java +++ b/scripts/java/DoubleType.java @@ -27,29 +27,29 @@ public class DoubleType { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_DoubleType(swigCPtr); + openbabelJNI.delete_DoubleType(swigCPtr); } swigCPtr = 0; } public void setHi(long value) { - net.sourceforge.openbabelJNI.DoubleType_hi_set(swigCPtr, this, value); + openbabelJNI.DoubleType_hi_set(swigCPtr, this, value); } public long getHi() { - return net.sourceforge.openbabelJNI.DoubleType_hi_get(swigCPtr, this); + return openbabelJNI.DoubleType_hi_get(swigCPtr, this); } public void setLo(long value) { - net.sourceforge.openbabelJNI.DoubleType_lo_set(swigCPtr, this, value); + openbabelJNI.DoubleType_lo_set(swigCPtr, this, value); } public long getLo() { - return net.sourceforge.openbabelJNI.DoubleType_lo_get(swigCPtr, this); + return openbabelJNI.DoubleType_lo_get(swigCPtr, this); } public DoubleType() { - this(net.sourceforge.openbabelJNI.new_DoubleType(), true); + this(openbabelJNI.new_DoubleType(), true); } } diff --git a/scripts/java/OBAngle.java b/scripts/java/OBAngle.java index deb87e39b..1e3f6dc67 100644 --- a/scripts/java/OBAngle.java +++ b/scripts/java/OBAngle.java @@ -27,33 +27,33 @@ public class OBAngle { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBAngle(swigCPtr); + openbabelJNI.delete_OBAngle(swigCPtr); } swigCPtr = 0; } public OBAngle(OBAngle arg0) { - this(net.sourceforge.openbabelJNI.new_OBAngle__SWIG_2(OBAngle.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBAngle__SWIG_2(OBAngle.getCPtr(arg0), arg0), true); } public void Clear() { - net.sourceforge.openbabelJNI.OBAngle_Clear(swigCPtr, this); + openbabelJNI.OBAngle_Clear(swigCPtr, this); } public double GetAngle() { - return net.sourceforge.openbabelJNI.OBAngle_GetAngle(swigCPtr, this); + return openbabelJNI.OBAngle_GetAngle(swigCPtr, this); } public void SetAngle(double radians) { - net.sourceforge.openbabelJNI.OBAngle_SetAngle(swigCPtr, this, radians); + openbabelJNI.OBAngle_SetAngle(swigCPtr, this, radians); } public void SetAtoms(OBAtom vertex, OBAtom a, OBAtom b) { - net.sourceforge.openbabelJNI.OBAngle_SetAtoms__SWIG_0(swigCPtr, this, OBAtom.getCPtr(vertex), vertex, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b); + openbabelJNI.OBAngle_SetAtoms__SWIG_0(swigCPtr, this, OBAtom.getCPtr(vertex), vertex, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b); } public void SetAtoms(SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t atoms) { - net.sourceforge.openbabelJNI.OBAngle_SetAtoms__SWIG_1(swigCPtr, this, SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t.getCPtr(atoms)); + openbabelJNI.OBAngle_SetAtoms__SWIG_1(swigCPtr, this, SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t.getCPtr(atoms)); } } diff --git a/scripts/java/OBAngleData.java b/scripts/java/OBAngleData.java index 0a6fda641..693c1eba5 100644 --- a/scripts/java/OBAngleData.java +++ b/scripts/java/OBAngleData.java @@ -11,7 +11,7 @@ public class OBAngleData extends OBGenericData { private long swigCPtr; protected OBAngleData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBAngleDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBAngleDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,31 +26,31 @@ public class OBAngleData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBAngleData(swigCPtr); + openbabelJNI.delete_OBAngleData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAngleData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBAngleData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void Clear() { - net.sourceforge.openbabelJNI.OBAngleData_Clear(swigCPtr, this); + openbabelJNI.OBAngleData_Clear(swigCPtr, this); } public long FillAngleArray(SWIGTYPE_p_p_int angles, SWIGTYPE_p_unsigned_int size) { - return net.sourceforge.openbabelJNI.OBAngleData_FillAngleArray(swigCPtr, this, SWIGTYPE_p_p_int.getCPtr(angles), SWIGTYPE_p_unsigned_int.getCPtr(size)); + return openbabelJNI.OBAngleData_FillAngleArray(swigCPtr, this, SWIGTYPE_p_p_int.getCPtr(angles), SWIGTYPE_p_unsigned_int.getCPtr(size)); } public void SetData(OBAngle arg0) { - net.sourceforge.openbabelJNI.OBAngleData_SetData(swigCPtr, this, OBAngle.getCPtr(arg0), arg0); + openbabelJNI.OBAngleData_SetData(swigCPtr, this, OBAngle.getCPtr(arg0), arg0); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBAngleData_GetSize(swigCPtr, this); + return openbabelJNI.OBAngleData_GetSize(swigCPtr, this); } } diff --git a/scripts/java/OBAtom.java b/scripts/java/OBAtom.java index 30d19a23c..fed4c4f8f 100644 --- a/scripts/java/OBAtom.java +++ b/scripts/java/OBAtom.java @@ -7,11 +7,11 @@ * ----------------------------------------------------------------------------- */ -public class OBAtom extends OBNodeBase { +public class OBAtom extends OBBase { private long swigCPtr; protected OBAtom(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBAtomUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBAtomUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,542 +26,559 @@ public class OBAtom extends OBNodeBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBAtom(swigCPtr); + openbabelJNI.delete_OBAtom(swigCPtr); } swigCPtr = 0; super.delete(); } + public void setVisit(boolean value) { + openbabelJNI.OBAtom_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBAtom_Visit_get(swigCPtr, this); + } + public OBAtom() { - this(net.sourceforge.openbabelJNI.new_OBAtom(), true); + this(openbabelJNI.new_OBAtom(), true); } public void Clear() { - net.sourceforge.openbabelJNI.OBAtom_Clear(swigCPtr, this); + openbabelJNI.OBAtom_Clear(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBAtom_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBAtom_SetIdx(swigCPtr, this, idx); } public void SetHyb(int hyb) { - net.sourceforge.openbabelJNI.OBAtom_SetHyb(swigCPtr, this, hyb); + openbabelJNI.OBAtom_SetHyb(swigCPtr, this, hyb); } public void SetAtomicNum(int atomicnum) { - net.sourceforge.openbabelJNI.OBAtom_SetAtomicNum(swigCPtr, this, atomicnum); + openbabelJNI.OBAtom_SetAtomicNum(swigCPtr, this, atomicnum); } public void SetIsotope(long iso) { - net.sourceforge.openbabelJNI.OBAtom_SetIsotope(swigCPtr, this, iso); + openbabelJNI.OBAtom_SetIsotope(swigCPtr, this, iso); } public void SetImplicitValence(int val) { - net.sourceforge.openbabelJNI.OBAtom_SetImplicitValence(swigCPtr, this, val); + openbabelJNI.OBAtom_SetImplicitValence(swigCPtr, this, val); } public void IncrementImplicitValence() { - net.sourceforge.openbabelJNI.OBAtom_IncrementImplicitValence(swigCPtr, this); + openbabelJNI.OBAtom_IncrementImplicitValence(swigCPtr, this); } public void DecrementImplicitValence() { - net.sourceforge.openbabelJNI.OBAtom_DecrementImplicitValence(swigCPtr, this); + openbabelJNI.OBAtom_DecrementImplicitValence(swigCPtr, this); } public void SetFormalCharge(int fcharge) { - net.sourceforge.openbabelJNI.OBAtom_SetFormalCharge(swigCPtr, this, fcharge); + openbabelJNI.OBAtom_SetFormalCharge(swigCPtr, this, fcharge); } public void SetSpinMultiplicity(short spin) { - net.sourceforge.openbabelJNI.OBAtom_SetSpinMultiplicity(swigCPtr, this, spin); + openbabelJNI.OBAtom_SetSpinMultiplicity(swigCPtr, this, spin); } public void SetType(String type) { - net.sourceforge.openbabelJNI.OBAtom_SetType__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBAtom_SetType__SWIG_0(swigCPtr, this, type); } public void SetType(SWIGTYPE_p_std__string type) { - net.sourceforge.openbabelJNI.OBAtom_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); + openbabelJNI.OBAtom_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); } public void SetPartialCharge(double pcharge) { - net.sourceforge.openbabelJNI.OBAtom_SetPartialCharge(swigCPtr, this, pcharge); + openbabelJNI.OBAtom_SetPartialCharge(swigCPtr, this, pcharge); } public void SetVector(vector3 v) { - net.sourceforge.openbabelJNI.OBAtom_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); + openbabelJNI.OBAtom_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); } public void SetVector(double x, double y, double z) { - net.sourceforge.openbabelJNI.OBAtom_SetVector__SWIG_1(swigCPtr, this, x, y, z); + openbabelJNI.OBAtom_SetVector__SWIG_1(swigCPtr, this, x, y, z); } public void SetCoordPtr(SWIGTYPE_p_p_double c) { - net.sourceforge.openbabelJNI.OBAtom_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); + openbabelJNI.OBAtom_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); } public void SetVector() { - net.sourceforge.openbabelJNI.OBAtom_SetVector__SWIG_2(swigCPtr, this); + openbabelJNI.OBAtom_SetVector__SWIG_2(swigCPtr, this); } public void SetResidue(OBResidue res) { - net.sourceforge.openbabelJNI.OBAtom_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + openbabelJNI.OBAtom_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBAtom_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBAtom_SetAromatic(swigCPtr, this); + openbabelJNI.OBAtom_SetAromatic(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBAtom_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBAtom_UnsetAromatic(swigCPtr, this); } public void SetClockwiseStereo() { - net.sourceforge.openbabelJNI.OBAtom_SetClockwiseStereo(swigCPtr, this); + openbabelJNI.OBAtom_SetClockwiseStereo(swigCPtr, this); } public void SetAntiClockwiseStereo() { - net.sourceforge.openbabelJNI.OBAtom_SetAntiClockwiseStereo(swigCPtr, this); + openbabelJNI.OBAtom_SetAntiClockwiseStereo(swigCPtr, this); } public void SetPositiveStereo() { - net.sourceforge.openbabelJNI.OBAtom_SetPositiveStereo(swigCPtr, this); + openbabelJNI.OBAtom_SetPositiveStereo(swigCPtr, this); } public void SetNegativeStereo() { - net.sourceforge.openbabelJNI.OBAtom_SetNegativeStereo(swigCPtr, this); + openbabelJNI.OBAtom_SetNegativeStereo(swigCPtr, this); } public void UnsetStereo() { - net.sourceforge.openbabelJNI.OBAtom_UnsetStereo(swigCPtr, this); + openbabelJNI.OBAtom_UnsetStereo(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBAtom_SetInRing(swigCPtr, this); + openbabelJNI.OBAtom_SetInRing(swigCPtr, this); } public void SetChiral() { - net.sourceforge.openbabelJNI.OBAtom_SetChiral(swigCPtr, this); + openbabelJNI.OBAtom_SetChiral(swigCPtr, this); } public void ClearCoordPtr() { - net.sourceforge.openbabelJNI.OBAtom_ClearCoordPtr(swigCPtr, this); + openbabelJNI.OBAtom_ClearCoordPtr(swigCPtr, this); } public int GetFormalCharge() { - return net.sourceforge.openbabelJNI.OBAtom_GetFormalCharge(swigCPtr, this); + return openbabelJNI.OBAtom_GetFormalCharge(swigCPtr, this); } public long GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBAtom_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBAtom_GetAtomicNum(swigCPtr, this); } public int GetIsotope() { - return net.sourceforge.openbabelJNI.OBAtom_GetIsotope(swigCPtr, this); + return openbabelJNI.OBAtom_GetIsotope(swigCPtr, this); } public int GetSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBAtom_GetSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBAtom_GetSpinMultiplicity(swigCPtr, this); } public double GetAtomicMass() { - return net.sourceforge.openbabelJNI.OBAtom_GetAtomicMass(swigCPtr, this); + return openbabelJNI.OBAtom_GetAtomicMass(swigCPtr, this); } public double GetExactMass() { - return net.sourceforge.openbabelJNI.OBAtom_GetExactMass(swigCPtr, this); + return openbabelJNI.OBAtom_GetExactMass(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBAtom_GetIdx(swigCPtr, this); + return openbabelJNI.OBAtom_GetIdx(swigCPtr, this); } public long GetCoordinateIdx() { - return net.sourceforge.openbabelJNI.OBAtom_GetCoordinateIdx(swigCPtr, this); + return openbabelJNI.OBAtom_GetCoordinateIdx(swigCPtr, this); } public long GetCIdx() { - return net.sourceforge.openbabelJNI.OBAtom_GetCIdx(swigCPtr, this); + return openbabelJNI.OBAtom_GetCIdx(swigCPtr, this); } public long GetValence() { - return net.sourceforge.openbabelJNI.OBAtom_GetValence(swigCPtr, this); + return openbabelJNI.OBAtom_GetValence(swigCPtr, this); } public long GetHyb() { - return net.sourceforge.openbabelJNI.OBAtom_GetHyb(swigCPtr, this); + return openbabelJNI.OBAtom_GetHyb(swigCPtr, this); } public long GetImplicitValence() { - return net.sourceforge.openbabelJNI.OBAtom_GetImplicitValence(swigCPtr, this); + return openbabelJNI.OBAtom_GetImplicitValence(swigCPtr, this); } public long GetHvyValence() { - return net.sourceforge.openbabelJNI.OBAtom_GetHvyValence(swigCPtr, this); + return openbabelJNI.OBAtom_GetHvyValence(swigCPtr, this); } public long GetHeteroValence() { - return net.sourceforge.openbabelJNI.OBAtom_GetHeteroValence(swigCPtr, this); + return openbabelJNI.OBAtom_GetHeteroValence(swigCPtr, this); } public String GetType() { - return net.sourceforge.openbabelJNI.OBAtom_GetType(swigCPtr, this); + return openbabelJNI.OBAtom_GetType(swigCPtr, this); } public double GetX() { - return net.sourceforge.openbabelJNI.OBAtom_GetX(swigCPtr, this); + return openbabelJNI.OBAtom_GetX(swigCPtr, this); } public double x() { - return net.sourceforge.openbabelJNI.OBAtom_x(swigCPtr, this); + return openbabelJNI.OBAtom_x(swigCPtr, this); } public double GetY() { - return net.sourceforge.openbabelJNI.OBAtom_GetY(swigCPtr, this); + return openbabelJNI.OBAtom_GetY(swigCPtr, this); } public double y() { - return net.sourceforge.openbabelJNI.OBAtom_y(swigCPtr, this); + return openbabelJNI.OBAtom_y(swigCPtr, this); } public double GetZ() { - return net.sourceforge.openbabelJNI.OBAtom_GetZ(swigCPtr, this); + return openbabelJNI.OBAtom_GetZ(swigCPtr, this); } public double z() { - return net.sourceforge.openbabelJNI.OBAtom_z(swigCPtr, this); + return openbabelJNI.OBAtom_z(swigCPtr, this); } public SWIGTYPE_p_double GetCoordinate() { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_GetCoordinate(swigCPtr, this); + long cPtr = openbabelJNI.OBAtom_GetCoordinate(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public vector3 GetVector() { - return new vector3(net.sourceforge.openbabelJNI.OBAtom_GetVector(swigCPtr, this), false); + return new vector3(openbabelJNI.OBAtom_GetVector(swigCPtr, this), false); } public double GetPartialCharge() { - return net.sourceforge.openbabelJNI.OBAtom_GetPartialCharge(swigCPtr, this); + return openbabelJNI.OBAtom_GetPartialCharge(swigCPtr, this); } public OBResidue GetResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_GetResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBAtom_GetResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBAtom_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public boolean GetNewBondVector(vector3 v, double length) { - return net.sourceforge.openbabelJNI.OBAtom_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); + return openbabelJNI.OBAtom_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); } public OBBond GetBond(OBAtom arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBAtom_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBAtom GetNextAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_GetNextAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBAtom_GetNextAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator BeginBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBAtom_BeginBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator BeginBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBAtom_BeginBonds(swigCPtr, this), true); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator EndBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBAtom_EndBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator EndBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBAtom_EndBonds(swigCPtr, this), true); } - public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBAtom_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBAtom_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBAtom_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtom_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBAtom_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public double GetDistance(int index) { - return net.sourceforge.openbabelJNI.OBAtom_GetDistance__SWIG_0(swigCPtr, this, index); + return openbabelJNI.OBAtom_GetDistance__SWIG_0(swigCPtr, this, index); } public double GetDistance(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtom_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtom_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public double GetAngle(int b, int c) { - return net.sourceforge.openbabelJNI.OBAtom_GetAngle__SWIG_0(swigCPtr, this, b, c); + return openbabelJNI.OBAtom_GetAngle__SWIG_0(swigCPtr, this, b, c); } public double GetAngle(OBAtom b, OBAtom c) { - return net.sourceforge.openbabelJNI.OBAtom_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); + return openbabelJNI.OBAtom_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); } public void NewResidue() { - net.sourceforge.openbabelJNI.OBAtom_NewResidue(swigCPtr, this); + openbabelJNI.OBAtom_NewResidue(swigCPtr, this); } public void DeleteResidue() { - net.sourceforge.openbabelJNI.OBAtom_DeleteResidue(swigCPtr, this); + openbabelJNI.OBAtom_DeleteResidue(swigCPtr, this); } public void AddBond(OBBond bond) { - net.sourceforge.openbabelJNI.OBAtom_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); + openbabelJNI.OBAtom_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); } - public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i, OBBond bond) { - net.sourceforge.openbabelJNI.OBAtom_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); + public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i, OBBond bond) { + openbabelJNI.OBAtom_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); } public boolean DeleteBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBAtom_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBAtom_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public void ClearBond() { - net.sourceforge.openbabelJNI.OBAtom_ClearBond(swigCPtr, this); + openbabelJNI.OBAtom_ClearBond(swigCPtr, this); } public long CountFreeOxygens() { - return net.sourceforge.openbabelJNI.OBAtom_CountFreeOxygens(swigCPtr, this); + return openbabelJNI.OBAtom_CountFreeOxygens(swigCPtr, this); } public long ImplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBAtom_ImplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBAtom_ImplicitHydrogenCount(swigCPtr, this); } public long ExplicitHydrogenCount(boolean ExcludeIsotopes) { - return net.sourceforge.openbabelJNI.OBAtom_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); + return openbabelJNI.OBAtom_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); } public long ExplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBAtom_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); + return openbabelJNI.OBAtom_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); } public long MemberOfRingCount() { - return net.sourceforge.openbabelJNI.OBAtom_MemberOfRingCount(swigCPtr, this); + return openbabelJNI.OBAtom_MemberOfRingCount(swigCPtr, this); } public long MemberOfRingSize() { - return net.sourceforge.openbabelJNI.OBAtom_MemberOfRingSize(swigCPtr, this); + return openbabelJNI.OBAtom_MemberOfRingSize(swigCPtr, this); } public long CountRingBonds() { - return net.sourceforge.openbabelJNI.OBAtom_CountRingBonds(swigCPtr, this); + return openbabelJNI.OBAtom_CountRingBonds(swigCPtr, this); } public double SmallestBondAngle() { - return net.sourceforge.openbabelJNI.OBAtom_SmallestBondAngle(swigCPtr, this); + return openbabelJNI.OBAtom_SmallestBondAngle(swigCPtr, this); } public double AverageBondAngle() { - return net.sourceforge.openbabelJNI.OBAtom_AverageBondAngle(swigCPtr, this); + return openbabelJNI.OBAtom_AverageBondAngle(swigCPtr, this); } public long BOSum() { - return net.sourceforge.openbabelJNI.OBAtom_BOSum(swigCPtr, this); + return openbabelJNI.OBAtom_BOSum(swigCPtr, this); } public long KBOSum() { - return net.sourceforge.openbabelJNI.OBAtom_KBOSum(swigCPtr, this); + return openbabelJNI.OBAtom_KBOSum(swigCPtr, this); } public boolean HtoMethyl() { - return net.sourceforge.openbabelJNI.OBAtom_HtoMethyl(swigCPtr, this); + return openbabelJNI.OBAtom_HtoMethyl(swigCPtr, this); } public boolean SetHybAndGeom(int arg0) { - return net.sourceforge.openbabelJNI.OBAtom_SetHybAndGeom(swigCPtr, this, arg0); + return openbabelJNI.OBAtom_SetHybAndGeom(swigCPtr, this, arg0); } public void ForceNoH() { - net.sourceforge.openbabelJNI.OBAtom_ForceNoH(swigCPtr, this); + openbabelJNI.OBAtom_ForceNoH(swigCPtr, this); } public boolean HasNoHForced() { - return net.sourceforge.openbabelJNI.OBAtom_HasNoHForced(swigCPtr, this); + return openbabelJNI.OBAtom_HasNoHForced(swigCPtr, this); } public boolean HasResidue() { - return net.sourceforge.openbabelJNI.OBAtom_HasResidue(swigCPtr, this); + return openbabelJNI.OBAtom_HasResidue(swigCPtr, this); } public boolean IsHydrogen() { - return net.sourceforge.openbabelJNI.OBAtom_IsHydrogen(swigCPtr, this); + return openbabelJNI.OBAtom_IsHydrogen(swigCPtr, this); } public boolean IsCarbon() { - return net.sourceforge.openbabelJNI.OBAtom_IsCarbon(swigCPtr, this); + return openbabelJNI.OBAtom_IsCarbon(swigCPtr, this); } public boolean IsNitrogen() { - return net.sourceforge.openbabelJNI.OBAtom_IsNitrogen(swigCPtr, this); + return openbabelJNI.OBAtom_IsNitrogen(swigCPtr, this); } public boolean IsOxygen() { - return net.sourceforge.openbabelJNI.OBAtom_IsOxygen(swigCPtr, this); + return openbabelJNI.OBAtom_IsOxygen(swigCPtr, this); } public boolean IsSulfur() { - return net.sourceforge.openbabelJNI.OBAtom_IsSulfur(swigCPtr, this); + return openbabelJNI.OBAtom_IsSulfur(swigCPtr, this); } public boolean IsPhosphorus() { - return net.sourceforge.openbabelJNI.OBAtom_IsPhosphorus(swigCPtr, this); + return openbabelJNI.OBAtom_IsPhosphorus(swigCPtr, this); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBAtom_IsAromatic(swigCPtr, this); + return openbabelJNI.OBAtom_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBAtom_IsInRing(swigCPtr, this); + return openbabelJNI.OBAtom_IsInRing(swigCPtr, this); } public boolean IsInRingSize(int arg0) { - return net.sourceforge.openbabelJNI.OBAtom_IsInRingSize(swigCPtr, this, arg0); + return openbabelJNI.OBAtom_IsInRingSize(swigCPtr, this, arg0); } public boolean IsHeteroatom() { - return net.sourceforge.openbabelJNI.OBAtom_IsHeteroatom(swigCPtr, this); + return openbabelJNI.OBAtom_IsHeteroatom(swigCPtr, this); } public boolean IsNotCorH() { - return net.sourceforge.openbabelJNI.OBAtom_IsNotCorH(swigCPtr, this); + return openbabelJNI.OBAtom_IsNotCorH(swigCPtr, this); } public boolean IsConnected(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtom_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtom_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneThree(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtom_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtom_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneFour(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtom_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtom_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsCarboxylOxygen() { - return net.sourceforge.openbabelJNI.OBAtom_IsCarboxylOxygen(swigCPtr, this); + return openbabelJNI.OBAtom_IsCarboxylOxygen(swigCPtr, this); } public boolean IsPhosphateOxygen() { - return net.sourceforge.openbabelJNI.OBAtom_IsPhosphateOxygen(swigCPtr, this); + return openbabelJNI.OBAtom_IsPhosphateOxygen(swigCPtr, this); } public boolean IsSulfateOxygen() { - return net.sourceforge.openbabelJNI.OBAtom_IsSulfateOxygen(swigCPtr, this); + return openbabelJNI.OBAtom_IsSulfateOxygen(swigCPtr, this); } public boolean IsNitroOxygen() { - return net.sourceforge.openbabelJNI.OBAtom_IsNitroOxygen(swigCPtr, this); + return openbabelJNI.OBAtom_IsNitroOxygen(swigCPtr, this); } public boolean IsAmideNitrogen() { - return net.sourceforge.openbabelJNI.OBAtom_IsAmideNitrogen(swigCPtr, this); + return openbabelJNI.OBAtom_IsAmideNitrogen(swigCPtr, this); } public boolean IsPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBAtom_IsPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBAtom_IsPolarHydrogen(swigCPtr, this); } public boolean IsNonPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBAtom_IsNonPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBAtom_IsNonPolarHydrogen(swigCPtr, this); } public boolean IsAromaticNOxide() { - return net.sourceforge.openbabelJNI.OBAtom_IsAromaticNOxide(swigCPtr, this); + return openbabelJNI.OBAtom_IsAromaticNOxide(swigCPtr, this); } public boolean IsChiral() { - return net.sourceforge.openbabelJNI.OBAtom_IsChiral(swigCPtr, this); + return openbabelJNI.OBAtom_IsChiral(swigCPtr, this); } public boolean IsAxial() { - return net.sourceforge.openbabelJNI.OBAtom_IsAxial(swigCPtr, this); + return openbabelJNI.OBAtom_IsAxial(swigCPtr, this); } public boolean IsClockwise() { - return net.sourceforge.openbabelJNI.OBAtom_IsClockwise(swigCPtr, this); + return openbabelJNI.OBAtom_IsClockwise(swigCPtr, this); } public boolean IsAntiClockwise() { - return net.sourceforge.openbabelJNI.OBAtom_IsAntiClockwise(swigCPtr, this); + return openbabelJNI.OBAtom_IsAntiClockwise(swigCPtr, this); } public boolean IsPositiveStereo() { - return net.sourceforge.openbabelJNI.OBAtom_IsPositiveStereo(swigCPtr, this); + return openbabelJNI.OBAtom_IsPositiveStereo(swigCPtr, this); } public boolean IsNegativeStereo() { - return net.sourceforge.openbabelJNI.OBAtom_IsNegativeStereo(swigCPtr, this); + return openbabelJNI.OBAtom_IsNegativeStereo(swigCPtr, this); } public boolean HasChiralitySpecified() { - return net.sourceforge.openbabelJNI.OBAtom_HasChiralitySpecified(swigCPtr, this); + return openbabelJNI.OBAtom_HasChiralitySpecified(swigCPtr, this); } public boolean HasChiralVolume() { - return net.sourceforge.openbabelJNI.OBAtom_HasChiralVolume(swigCPtr, this); + return openbabelJNI.OBAtom_HasChiralVolume(swigCPtr, this); } public boolean IsHbondAcceptor() { - return net.sourceforge.openbabelJNI.OBAtom_IsHbondAcceptor(swigCPtr, this); + return openbabelJNI.OBAtom_IsHbondAcceptor(swigCPtr, this); } public boolean IsHbondDonor() { - return net.sourceforge.openbabelJNI.OBAtom_IsHbondDonor(swigCPtr, this); + return openbabelJNI.OBAtom_IsHbondDonor(swigCPtr, this); } public boolean IsHbondDonorH() { - return net.sourceforge.openbabelJNI.OBAtom_IsHbondDonorH(swigCPtr, this); + return openbabelJNI.OBAtom_IsHbondDonorH(swigCPtr, this); } public boolean HasAlphaBetaUnsat(boolean includePandS) { - return net.sourceforge.openbabelJNI.OBAtom_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); + return openbabelJNI.OBAtom_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); } public boolean HasAlphaBetaUnsat() { - return net.sourceforge.openbabelJNI.OBAtom_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); + return openbabelJNI.OBAtom_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); } public boolean HasBondOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBAtom_HasBondOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBAtom_HasBondOfOrder(swigCPtr, this, arg0); } public int CountBondsOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBAtom_CountBondsOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBAtom_CountBondsOfOrder(swigCPtr, this, arg0); } public boolean HasNonSingleBond() { - return net.sourceforge.openbabelJNI.OBAtom_HasNonSingleBond(swigCPtr, this); + return openbabelJNI.OBAtom_HasNonSingleBond(swigCPtr, this); } public boolean HasSingleBond() { - return net.sourceforge.openbabelJNI.OBAtom_HasSingleBond(swigCPtr, this); + return openbabelJNI.OBAtom_HasSingleBond(swigCPtr, this); } public boolean HasDoubleBond() { - return net.sourceforge.openbabelJNI.OBAtom_HasDoubleBond(swigCPtr, this); + return openbabelJNI.OBAtom_HasDoubleBond(swigCPtr, this); } public boolean HasAromaticBond() { - return net.sourceforge.openbabelJNI.OBAtom_HasAromaticBond(swigCPtr, this); + return openbabelJNI.OBAtom_HasAromaticBond(swigCPtr, this); } public boolean MatchesSMARTS(String arg0) { - return net.sourceforge.openbabelJNI.OBAtom_MatchesSMARTS(swigCPtr, this, arg0); + return openbabelJNI.OBAtom_MatchesSMARTS(swigCPtr, this, arg0); } } diff --git a/scripts/java/OBAtomAtomIter.java b/scripts/java/OBAtomAtomIter.java index df8c8f160..e0bbe72e4 100644 --- a/scripts/java/OBAtomAtomIter.java +++ b/scripts/java/OBAtomAtomIter.java @@ -27,654 +27,633 @@ public class OBAtomAtomIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBAtomAtomIter(swigCPtr); + openbabelJNI.delete_OBAtomAtomIter(swigCPtr); } swigCPtr = 0; } public OBAtomAtomIter() { - this(net.sourceforge.openbabelJNI.new_OBAtomAtomIter__SWIG_0(), true); + this(openbabelJNI.new_OBAtomAtomIter__SWIG_0(), true); } public OBAtomAtomIter(OBAtom atm) { - this(net.sourceforge.openbabelJNI.new_OBAtomAtomIter__SWIG_1(OBAtom.getCPtr(atm), atm), true); + this(openbabelJNI.new_OBAtomAtomIter__SWIG_1(OBAtom.getCPtr(atm), atm), true); } public OBAtomAtomIter(OBAtomAtomIter ai) { - this(net.sourceforge.openbabelJNI.new_OBAtomAtomIter__SWIG_3(OBAtomAtomIter.getCPtr(ai), ai), true); + this(openbabelJNI.new_OBAtomAtomIter__SWIG_3(OBAtomAtomIter.getCPtr(ai), ai), true); } public boolean good() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_good(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_good(swigCPtr, this); } public OBAtomAtomIter inc(int arg0) { - return new OBAtomAtomIter(net.sourceforge.openbabelJNI.OBAtomAtomIter_inc(swigCPtr, this, arg0), true); + return new OBAtomAtomIter(openbabelJNI.OBAtomAtomIter_inc(swigCPtr, this, arg0), true); } public OBAtom deref() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_deref(swigCPtr, this); + long cPtr = openbabelJNI.OBAtomAtomIter_deref(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom __ref__() { - return new OBAtom(net.sourceforge.openbabelJNI.OBAtomAtomIter___ref__(swigCPtr, this), false); + return new OBAtom(openbabelJNI.OBAtomAtomIter___ref__(swigCPtr, this), false); + } + + public void setVisit(boolean value) { + openbabelJNI.OBAtomAtomIter_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBAtomAtomIter_Visit_get(swigCPtr, this); } public void Clear() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_Clear(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_Clear(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBAtomAtomIter_SetIdx(swigCPtr, this, idx); } public void SetHyb(int hyb) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetHyb(swigCPtr, this, hyb); + openbabelJNI.OBAtomAtomIter_SetHyb(swigCPtr, this, hyb); } public void SetAtomicNum(int atomicnum) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetAtomicNum(swigCPtr, this, atomicnum); + openbabelJNI.OBAtomAtomIter_SetAtomicNum(swigCPtr, this, atomicnum); } public void SetIsotope(long iso) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetIsotope(swigCPtr, this, iso); + openbabelJNI.OBAtomAtomIter_SetIsotope(swigCPtr, this, iso); } public void SetImplicitValence(int val) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetImplicitValence(swigCPtr, this, val); + openbabelJNI.OBAtomAtomIter_SetImplicitValence(swigCPtr, this, val); } public void IncrementImplicitValence() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_IncrementImplicitValence(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_IncrementImplicitValence(swigCPtr, this); } public void DecrementImplicitValence() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_DecrementImplicitValence(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_DecrementImplicitValence(swigCPtr, this); } public void SetFormalCharge(int fcharge) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetFormalCharge(swigCPtr, this, fcharge); + openbabelJNI.OBAtomAtomIter_SetFormalCharge(swigCPtr, this, fcharge); } public void SetSpinMultiplicity(short spin) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetSpinMultiplicity(swigCPtr, this, spin); + openbabelJNI.OBAtomAtomIter_SetSpinMultiplicity(swigCPtr, this, spin); } public void SetType(String type) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetType__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBAtomAtomIter_SetType__SWIG_0(swigCPtr, this, type); } public void SetType(SWIGTYPE_p_std__string type) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); + openbabelJNI.OBAtomAtomIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); } public void SetPartialCharge(double pcharge) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetPartialCharge(swigCPtr, this, pcharge); + openbabelJNI.OBAtomAtomIter_SetPartialCharge(swigCPtr, this, pcharge); } public void SetVector(vector3 v) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); + openbabelJNI.OBAtomAtomIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); } public void SetVector(double x, double y, double z) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); + openbabelJNI.OBAtomAtomIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); } public void SetVector() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetVector__SWIG_2(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetVector__SWIG_2(swigCPtr, this); } public void SetCoordPtr(SWIGTYPE_p_p_double c) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); + openbabelJNI.OBAtomAtomIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); } public void SetResidue(OBResidue res) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + openbabelJNI.OBAtomAtomIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBAtomAtomIter_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetAromatic(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetAromatic(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_UnsetAromatic(swigCPtr, this); } public void SetClockwiseStereo() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetClockwiseStereo(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetClockwiseStereo(swigCPtr, this); } public void SetAntiClockwiseStereo() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetAntiClockwiseStereo(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetAntiClockwiseStereo(swigCPtr, this); } public void SetPositiveStereo() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetPositiveStereo(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetPositiveStereo(swigCPtr, this); } public void SetNegativeStereo() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetNegativeStereo(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetNegativeStereo(swigCPtr, this); } public void UnsetStereo() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_UnsetStereo(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_UnsetStereo(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetInRing(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetInRing(swigCPtr, this); } public void SetChiral() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetChiral(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_SetChiral(swigCPtr, this); } public void ClearCoordPtr() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_ClearCoordPtr(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_ClearCoordPtr(swigCPtr, this); } public int GetFormalCharge() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetFormalCharge(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetFormalCharge(swigCPtr, this); } public long GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetAtomicNum(swigCPtr, this); } public int GetIsotope() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetIsotope(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetIsotope(swigCPtr, this); } public int GetSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetSpinMultiplicity(swigCPtr, this); } public double GetAtomicMass() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetAtomicMass(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetAtomicMass(swigCPtr, this); } public double GetExactMass() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetExactMass(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetExactMass(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetIdx(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetIdx(swigCPtr, this); } public long GetCoordinateIdx() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetCoordinateIdx(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetCoordinateIdx(swigCPtr, this); } public long GetCIdx() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetCIdx(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetCIdx(swigCPtr, this); } public long GetValence() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetValence(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetValence(swigCPtr, this); } public long GetHyb() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetHyb(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetHyb(swigCPtr, this); } public long GetImplicitValence() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetImplicitValence(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetImplicitValence(swigCPtr, this); } public long GetHvyValence() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetHvyValence(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetHvyValence(swigCPtr, this); } public long GetHeteroValence() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetHeteroValence(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetHeteroValence(swigCPtr, this); } public String GetType() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetType(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetType(swigCPtr, this); } public double GetX() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetX(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetX(swigCPtr, this); } public double x() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_x(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_x(swigCPtr, this); } public double GetY() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetY(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetY(swigCPtr, this); } public double y() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_y(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_y(swigCPtr, this); } public double GetZ() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetZ(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetZ(swigCPtr, this); } public double z() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_z(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_z(swigCPtr, this); } public SWIGTYPE_p_double GetCoordinate() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_GetCoordinate(swigCPtr, this); + long cPtr = openbabelJNI.OBAtomAtomIter_GetCoordinate(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public vector3 GetVector() { - return new vector3(net.sourceforge.openbabelJNI.OBAtomAtomIter_GetVector(swigCPtr, this), false); + return new vector3(openbabelJNI.OBAtomAtomIter_GetVector(swigCPtr, this), false); } public double GetPartialCharge() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetPartialCharge(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_GetPartialCharge(swigCPtr, this); } public OBResidue GetResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_GetResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBAtomAtomIter_GetResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBAtomAtomIter_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public boolean GetNewBondVector(vector3 v, double length) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); + return openbabelJNI.OBAtomAtomIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); } public OBBond GetBond(OBAtom arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBAtomAtomIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBAtom GetNextAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_GetNextAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBAtomAtomIter_GetNextAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator BeginBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBAtomAtomIter_BeginBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator BeginBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBAtomAtomIter_BeginBonds(swigCPtr, this), true); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator EndBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBAtomAtomIter_EndBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator EndBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBAtomAtomIter_EndBonds(swigCPtr, this), true); } - public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBAtomAtomIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBAtomAtomIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBAtomAtomIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBAtomAtomIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public double GetDistance(int index) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetDistance__SWIG_0(swigCPtr, this, index); + return openbabelJNI.OBAtomAtomIter_GetDistance__SWIG_0(swigCPtr, this, index); } public double GetDistance(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtomAtomIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public double GetAngle(int b, int c) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetAngle__SWIG_0(swigCPtr, this, b, c); + return openbabelJNI.OBAtomAtomIter_GetAngle__SWIG_0(swigCPtr, this, b, c); } public double GetAngle(OBAtom b, OBAtom c) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); + return openbabelJNI.OBAtomAtomIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); } public void NewResidue() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_NewResidue(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_NewResidue(swigCPtr, this); } public void DeleteResidue() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_DeleteResidue(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_DeleteResidue(swigCPtr, this); } public void AddBond(OBBond bond) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); + openbabelJNI.OBAtomAtomIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); } - public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i, OBBond bond) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); + public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i, OBBond bond) { + openbabelJNI.OBAtomAtomIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); } public boolean DeleteBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBAtomAtomIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public void ClearBond() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_ClearBond(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_ClearBond(swigCPtr, this); } public long CountFreeOxygens() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_CountFreeOxygens(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_CountFreeOxygens(swigCPtr, this); } public long ImplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_ImplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_ImplicitHydrogenCount(swigCPtr, this); } public long ExplicitHydrogenCount(boolean ExcludeIsotopes) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); + return openbabelJNI.OBAtomAtomIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); } public long ExplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); } public long MemberOfRingCount() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_MemberOfRingCount(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_MemberOfRingCount(swigCPtr, this); } public long MemberOfRingSize() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_MemberOfRingSize(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_MemberOfRingSize(swigCPtr, this); } public long CountRingBonds() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_CountRingBonds(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_CountRingBonds(swigCPtr, this); } public double SmallestBondAngle() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_SmallestBondAngle(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_SmallestBondAngle(swigCPtr, this); } public double AverageBondAngle() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_AverageBondAngle(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_AverageBondAngle(swigCPtr, this); } public long BOSum() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_BOSum(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_BOSum(swigCPtr, this); } public long KBOSum() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_KBOSum(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_KBOSum(swigCPtr, this); } public boolean HtoMethyl() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HtoMethyl(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HtoMethyl(swigCPtr, this); } public boolean SetHybAndGeom(int arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_SetHybAndGeom(swigCPtr, this, arg0); + return openbabelJNI.OBAtomAtomIter_SetHybAndGeom(swigCPtr, this, arg0); } public void ForceNoH() { - net.sourceforge.openbabelJNI.OBAtomAtomIter_ForceNoH(swigCPtr, this); + openbabelJNI.OBAtomAtomIter_ForceNoH(swigCPtr, this); } public boolean HasNoHForced() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasNoHForced(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasNoHForced(swigCPtr, this); } public boolean HasResidue() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasResidue(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasResidue(swigCPtr, this); } public boolean IsHydrogen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsHydrogen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsHydrogen(swigCPtr, this); } public boolean IsCarbon() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsCarbon(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsCarbon(swigCPtr, this); } public boolean IsNitrogen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsNitrogen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsNitrogen(swigCPtr, this); } public boolean IsOxygen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsOxygen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsOxygen(swigCPtr, this); } public boolean IsSulfur() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsSulfur(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsSulfur(swigCPtr, this); } public boolean IsPhosphorus() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsPhosphorus(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsPhosphorus(swigCPtr, this); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsAromatic(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsInRing(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsInRing(swigCPtr, this); } public boolean IsInRingSize(int arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsInRingSize(swigCPtr, this, arg0); + return openbabelJNI.OBAtomAtomIter_IsInRingSize(swigCPtr, this, arg0); } public boolean IsHeteroatom() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsHeteroatom(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsHeteroatom(swigCPtr, this); } public boolean IsNotCorH() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsNotCorH(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsNotCorH(swigCPtr, this); } public boolean IsConnected(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtomAtomIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneThree(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtomAtomIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneFour(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBAtomAtomIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsCarboxylOxygen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsCarboxylOxygen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsCarboxylOxygen(swigCPtr, this); } public boolean IsPhosphateOxygen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsPhosphateOxygen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsPhosphateOxygen(swigCPtr, this); } public boolean IsSulfateOxygen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsSulfateOxygen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsSulfateOxygen(swigCPtr, this); } public boolean IsNitroOxygen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsNitroOxygen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsNitroOxygen(swigCPtr, this); } public boolean IsAmideNitrogen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsAmideNitrogen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsAmideNitrogen(swigCPtr, this); } public boolean IsPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsPolarHydrogen(swigCPtr, this); } public boolean IsNonPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsNonPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsNonPolarHydrogen(swigCPtr, this); } public boolean IsAromaticNOxide() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsAromaticNOxide(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsAromaticNOxide(swigCPtr, this); } public boolean IsChiral() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsChiral(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsChiral(swigCPtr, this); } public boolean IsAxial() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsAxial(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsAxial(swigCPtr, this); } public boolean IsClockwise() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsClockwise(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsClockwise(swigCPtr, this); } public boolean IsAntiClockwise() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsAntiClockwise(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsAntiClockwise(swigCPtr, this); } public boolean IsPositiveStereo() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsPositiveStereo(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsPositiveStereo(swigCPtr, this); } public boolean IsNegativeStereo() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsNegativeStereo(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsNegativeStereo(swigCPtr, this); } public boolean HasChiralitySpecified() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasChiralitySpecified(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasChiralitySpecified(swigCPtr, this); } public boolean HasChiralVolume() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasChiralVolume(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasChiralVolume(swigCPtr, this); } public boolean IsHbondAcceptor() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsHbondAcceptor(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsHbondAcceptor(swigCPtr, this); } public boolean IsHbondDonor() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsHbondDonor(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsHbondDonor(swigCPtr, this); } public boolean IsHbondDonorH() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_IsHbondDonorH(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_IsHbondDonorH(swigCPtr, this); } public boolean HasAlphaBetaUnsat(boolean includePandS) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); + return openbabelJNI.OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); } public boolean HasAlphaBetaUnsat() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); } public boolean HasBondOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasBondOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBAtomAtomIter_HasBondOfOrder(swigCPtr, this, arg0); } public int CountBondsOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_CountBondsOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBAtomAtomIter_CountBondsOfOrder(swigCPtr, this, arg0); } public boolean HasNonSingleBond() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasNonSingleBond(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasNonSingleBond(swigCPtr, this); } public boolean HasSingleBond() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasSingleBond(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasSingleBond(swigCPtr, this); } public boolean HasDoubleBond() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasDoubleBond(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasDoubleBond(swigCPtr, this); } public boolean HasAromaticBond() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasAromaticBond(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_HasAromaticBond(swigCPtr, this); } public boolean MatchesSMARTS(String arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_MatchesSMARTS(swigCPtr, this, arg0); - } - - public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_Visit_set(swigCPtr, this, value); - } - - public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_Visit_get(swigCPtr, this); - } - - public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_GetParent(swigCPtr, this); - return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); - } - - public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); - } - - public void AddEdge(OBEdgeBase b) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_AddEdge(swigCPtr, this, OBEdgeBase.getCPtr(b), b); - } - - public void Error(int f) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_Error(swigCPtr, this, f); - } - - public void SetMatch(OBNodeBase arg0) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetMatch(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public boolean Eval(OBNodeBase arg0) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_Eval(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public OBNodeBase GetMatch() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_GetMatch(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); + return openbabelJNI.OBAtomAtomIter_MatchesSMARTS(swigCPtr, this, arg0); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBAtomAtomIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBAtomAtomIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBAtomAtomIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBAtomAtomIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBAtomAtomIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBAtomAtomIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBAtomAtomIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBAtomAtomIter_DataSize(swigCPtr, this); + return openbabelJNI.OBAtomAtomIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomAtomIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBAtomAtomIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBAtomAtomIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBAtomAtomIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBAtomAtomIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBAtomAtomIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBAtomAtomIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBAtomAtomIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBAtomBondIter.java b/scripts/java/OBAtomBondIter.java index 19bf87be2..b033d917a 100644 --- a/scripts/java/OBAtomBondIter.java +++ b/scripts/java/OBAtomBondIter.java @@ -27,350 +27,324 @@ public class OBAtomBondIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBAtomBondIter(swigCPtr); + openbabelJNI.delete_OBAtomBondIter(swigCPtr); } swigCPtr = 0; } public OBAtomBondIter() { - this(net.sourceforge.openbabelJNI.new_OBAtomBondIter__SWIG_0(), true); + this(openbabelJNI.new_OBAtomBondIter__SWIG_0(), true); } public OBAtomBondIter(OBAtom atm) { - this(net.sourceforge.openbabelJNI.new_OBAtomBondIter__SWIG_1(OBAtom.getCPtr(atm), atm), true); + this(openbabelJNI.new_OBAtomBondIter__SWIG_1(OBAtom.getCPtr(atm), atm), true); } public OBAtomBondIter(OBAtomBondIter bi) { - this(net.sourceforge.openbabelJNI.new_OBAtomBondIter__SWIG_3(OBAtomBondIter.getCPtr(bi), bi), true); + this(openbabelJNI.new_OBAtomBondIter__SWIG_3(OBAtomBondIter.getCPtr(bi), bi), true); } public boolean good() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_good(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_good(swigCPtr, this); } public OBAtomBondIter inc(int arg0) { - return new OBAtomBondIter(net.sourceforge.openbabelJNI.OBAtomBondIter_inc(swigCPtr, this, arg0), true); + return new OBAtomBondIter(openbabelJNI.OBAtomBondIter_inc(swigCPtr, this, arg0), true); } public OBBond deref() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_deref(swigCPtr, this); + long cPtr = openbabelJNI.OBAtomBondIter_deref(swigCPtr, this); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBBond __ref__() { - return new OBBond(net.sourceforge.openbabelJNI.OBAtomBondIter___ref__(swigCPtr, this), false); + return new OBBond(openbabelJNI.OBAtomBondIter___ref__(swigCPtr, this), false); + } + + public void setVisit(boolean value) { + openbabelJNI.OBAtomBondIter_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBAtomBondIter_Visit_get(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBAtomBondIter_SetIdx(swigCPtr, this, idx); } public void SetBO(int order) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetBO(swigCPtr, this, order); + openbabelJNI.OBAtomBondIter_SetBO(swigCPtr, this, order); } public void SetBegin(OBAtom begin) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetBegin(swigCPtr, this, OBAtom.getCPtr(begin), begin); + openbabelJNI.OBAtomBondIter_SetBegin(swigCPtr, this, OBAtom.getCPtr(begin), begin); } public void SetEnd(OBAtom end) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetEnd(swigCPtr, this, OBAtom.getCPtr(end), end); + openbabelJNI.OBAtomBondIter_SetEnd(swigCPtr, this, OBAtom.getCPtr(end), end); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBAtomBondIter_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetLength(OBAtom arg0, double arg1) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetLength(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); + openbabelJNI.OBAtomBondIter_SetLength(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); } public void Set(int arg0, OBAtom arg1, OBAtom arg2, int arg3, int arg4) { - net.sourceforge.openbabelJNI.OBAtomBondIter_Set(swigCPtr, this, arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, arg3, arg4); + openbabelJNI.OBAtomBondIter_Set(swigCPtr, this, arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, arg3, arg4); } public void SetKSingle() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetKSingle(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetKSingle(swigCPtr, this); } public void SetKDouble() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetKDouble(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetKDouble(swigCPtr, this); } public void SetKTriple() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetKTriple(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetKTriple(swigCPtr, this); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetAromatic(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetAromatic(swigCPtr, this); } public void SetHash() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetHash(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetHash(swigCPtr, this); } public void SetWedge() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetWedge(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetWedge(swigCPtr, this); } public void SetUp() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetUp(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetUp(swigCPtr, this); } public void SetDown() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetDown(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetDown(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetInRing(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetInRing(swigCPtr, this); } public void SetClosure() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetClosure(swigCPtr, this); + openbabelJNI.OBAtomBondIter_SetClosure(swigCPtr, this); } public void UnsetHash() { - net.sourceforge.openbabelJNI.OBAtomBondIter_UnsetHash(swigCPtr, this); + openbabelJNI.OBAtomBondIter_UnsetHash(swigCPtr, this); } public void UnsetWedge() { - net.sourceforge.openbabelJNI.OBAtomBondIter_UnsetWedge(swigCPtr, this); + openbabelJNI.OBAtomBondIter_UnsetWedge(swigCPtr, this); } public void UnsetUp() { - net.sourceforge.openbabelJNI.OBAtomBondIter_UnsetUp(swigCPtr, this); + openbabelJNI.OBAtomBondIter_UnsetUp(swigCPtr, this); } public void UnsetDown() { - net.sourceforge.openbabelJNI.OBAtomBondIter_UnsetDown(swigCPtr, this); + openbabelJNI.OBAtomBondIter_UnsetDown(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBAtomBondIter_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBAtomBondIter_UnsetAromatic(swigCPtr, this); } public void UnsetKekule() { - net.sourceforge.openbabelJNI.OBAtomBondIter_UnsetKekule(swigCPtr, this); + openbabelJNI.OBAtomBondIter_UnsetKekule(swigCPtr, this); + } + + public long GetIdx() { + return openbabelJNI.OBAtomBondIter_GetIdx(swigCPtr, this); } public long GetBO() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetBO(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_GetBO(swigCPtr, this); } public long GetBondOrder() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetBondOrder(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_GetBondOrder(swigCPtr, this); } public long GetFlags() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetFlags(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_GetFlags(swigCPtr, this); } public long GetBeginAtomIdx() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetBeginAtomIdx(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_GetBeginAtomIdx(swigCPtr, this); } public long GetEndAtomIdx() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetEndAtomIdx(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_GetEndAtomIdx(swigCPtr, this); } public OBAtom GetBeginAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_GetBeginAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBAtomBondIter_GetBeginAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom GetEndAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_GetEndAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBAtomBondIter_GetEndAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom GetNbrAtom(OBAtom ptr) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_GetNbrAtom(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); + long cPtr = openbabelJNI.OBAtomBondIter_GetNbrAtom(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBAtomBondIter_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public double GetEquibLength() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetEquibLength(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_GetEquibLength(swigCPtr, this); } public double GetLength() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetLength(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_GetLength(swigCPtr, this); } public int GetNbrAtomIdx(OBAtom ptr) { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetNbrAtomIdx(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); + return openbabelJNI.OBAtomBondIter_GetNbrAtomIdx(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsAromatic(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsInRing(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsInRing(swigCPtr, this); } public boolean IsRotor() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsRotor(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsRotor(swigCPtr, this); } public boolean IsAmide() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsAmide(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsAmide(swigCPtr, this); } public boolean IsPrimaryAmide() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsPrimaryAmide(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsPrimaryAmide(swigCPtr, this); } public boolean IsSecondaryAmide() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsSecondaryAmide(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsSecondaryAmide(swigCPtr, this); } public boolean IsEster() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsEster(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsEster(swigCPtr, this); } public boolean IsCarbonyl() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsCarbonyl(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsCarbonyl(swigCPtr, this); } public boolean IsSingle() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsSingle(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsSingle(swigCPtr, this); } public boolean IsDouble() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsDouble(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsDouble(swigCPtr, this); } public boolean IsTriple() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsTriple(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsTriple(swigCPtr, this); } public boolean IsKSingle() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsKSingle(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsKSingle(swigCPtr, this); } public boolean IsKDouble() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsKDouble(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsKDouble(swigCPtr, this); } public boolean IsKTriple() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsKTriple(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsKTriple(swigCPtr, this); } public boolean IsClosure() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsClosure(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsClosure(swigCPtr, this); } public boolean IsUp() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsUp(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsUp(swigCPtr, this); } public boolean IsDown() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsDown(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsDown(swigCPtr, this); } public boolean IsWedge() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsWedge(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsWedge(swigCPtr, this); } public boolean IsHash() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsHash(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_IsHash(swigCPtr, this); } public boolean IsDoubleBondGeometry() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_IsDoubleBondGeometry(swigCPtr, this); - } - - public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBAtomBondIter_Visit_set(swigCPtr, this, value); - } - - public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_Visit_get(swigCPtr, this); - } - - public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_GetParent(swigCPtr, this); - return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); - } - - public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); - } - - public long GetIdx() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_GetIdx(swigCPtr, this); - } - - public void SetBgn(OBNodeBase n) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetBgn(swigCPtr, this, OBNodeBase.getCPtr(n), n); - } - - public void SwapEnds() { - net.sourceforge.openbabelJNI.OBAtomBondIter_SwapEnds(swigCPtr, this); - } - - public OBNodeBase GetBgn() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_GetBgn(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); - } - - public OBNodeBase GetEnd() { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_GetEnd(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); - } - - public void Error(int f) { - net.sourceforge.openbabelJNI.OBAtomBondIter_Error(swigCPtr, this, f); - } - - public boolean Eval(OBEdgeBase arg0) { - return net.sourceforge.openbabelJNI.OBAtomBondIter_Eval(swigCPtr, this, OBEdgeBase.getCPtr(arg0), arg0); + return openbabelJNI.OBAtomBondIter_IsDoubleBondGeometry(swigCPtr, this); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBAtomBondIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBAtomBondIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBAtomBondIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBAtomBondIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBAtomBondIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBAtomBondIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBAtomBondIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBAtomBondIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBAtomBondIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBAtomBondIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBAtomBondIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBAtomBondIter_DataSize(swigCPtr, this); + return openbabelJNI.OBAtomBondIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBAtomBondIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBAtomBondIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBAtomBondIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBAtomBondIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBAtomBondIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBAtomBondIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBAtomBondIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBAtomBondIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBBase.java b/scripts/java/OBBase.java index 5ec1f0ca7..3286390b2 100644 --- a/scripts/java/OBBase.java +++ b/scripts/java/OBBase.java @@ -27,72 +27,72 @@ public class OBBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBBase(swigCPtr); + openbabelJNI.delete_OBBase(swigCPtr); } swigCPtr = 0; } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBBase_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBBase_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public static String ClassDescription() { - return net.sourceforge.openbabelJNI.OBBase_ClassDescription(); + return openbabelJNI.OBBase_ClassDescription(); } public boolean HasData(String arg0) { - return net.sourceforge.openbabelJNI.OBBase_HasData__SWIG_0(swigCPtr, this, arg0); + return openbabelJNI.OBBase_HasData__SWIG_0(swigCPtr, this, arg0); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBBase_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBBase_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBBase_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBBase_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBBase_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBBase_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBBase_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBBase_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBBase_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBBase_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBBase_DataSize(swigCPtr, this); + return openbabelJNI.OBBase_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBBase_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBBase_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public OBGenericData GetData(String arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBBase_GetData__SWIG_1(swigCPtr, this, arg0); + long cPtr = openbabelJNI.OBBase_GetData__SWIG_1(swigCPtr, this, arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBBase_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBBase_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBBase_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBBase_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBBase_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBBase_EndData(swigCPtr, this), true); } public OBBase() { - this(net.sourceforge.openbabelJNI.new_OBBase(), true); + this(openbabelJNI.new_OBBase(), true); } } diff --git a/scripts/java/OBBond.java b/scripts/java/OBBond.java index 6c7447f3a..e4b3a61ad 100644 --- a/scripts/java/OBBond.java +++ b/scripts/java/OBBond.java @@ -7,11 +7,11 @@ * ----------------------------------------------------------------------------- */ -public class OBBond extends OBEdgeBase { +public class OBBond extends OBBase { private long swigCPtr; protected OBBond(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBBondUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBBondUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,229 +26,250 @@ public class OBBond extends OBEdgeBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBBond(swigCPtr); + openbabelJNI.delete_OBBond(swigCPtr); } swigCPtr = 0; super.delete(); } + public void setVisit(boolean value) { + openbabelJNI.OBBond_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBBond_Visit_get(swigCPtr, this); + } + public OBBond() { - this(net.sourceforge.openbabelJNI.new_OBBond(), true); + this(openbabelJNI.new_OBBond(), true); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBBond_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBBond_SetIdx(swigCPtr, this, idx); } public void SetBO(int order) { - net.sourceforge.openbabelJNI.OBBond_SetBO(swigCPtr, this, order); + openbabelJNI.OBBond_SetBO(swigCPtr, this, order); } public void SetBegin(OBAtom begin) { - net.sourceforge.openbabelJNI.OBBond_SetBegin(swigCPtr, this, OBAtom.getCPtr(begin), begin); + openbabelJNI.OBBond_SetBegin(swigCPtr, this, OBAtom.getCPtr(begin), begin); } public void SetEnd(OBAtom end) { - net.sourceforge.openbabelJNI.OBBond_SetEnd(swigCPtr, this, OBAtom.getCPtr(end), end); + openbabelJNI.OBBond_SetEnd(swigCPtr, this, OBAtom.getCPtr(end), end); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBBond_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetLength(OBAtom arg0, double arg1) { - net.sourceforge.openbabelJNI.OBBond_SetLength(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); + openbabelJNI.OBBond_SetLength(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); } public void Set(int arg0, OBAtom arg1, OBAtom arg2, int arg3, int arg4) { - net.sourceforge.openbabelJNI.OBBond_Set(swigCPtr, this, arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, arg3, arg4); + openbabelJNI.OBBond_Set(swigCPtr, this, arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, arg3, arg4); } public void SetKSingle() { - net.sourceforge.openbabelJNI.OBBond_SetKSingle(swigCPtr, this); + openbabelJNI.OBBond_SetKSingle(swigCPtr, this); } public void SetKDouble() { - net.sourceforge.openbabelJNI.OBBond_SetKDouble(swigCPtr, this); + openbabelJNI.OBBond_SetKDouble(swigCPtr, this); } public void SetKTriple() { - net.sourceforge.openbabelJNI.OBBond_SetKTriple(swigCPtr, this); + openbabelJNI.OBBond_SetKTriple(swigCPtr, this); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBBond_SetAromatic(swigCPtr, this); + openbabelJNI.OBBond_SetAromatic(swigCPtr, this); } public void SetHash() { - net.sourceforge.openbabelJNI.OBBond_SetHash(swigCPtr, this); + openbabelJNI.OBBond_SetHash(swigCPtr, this); } public void SetWedge() { - net.sourceforge.openbabelJNI.OBBond_SetWedge(swigCPtr, this); + openbabelJNI.OBBond_SetWedge(swigCPtr, this); } public void SetUp() { - net.sourceforge.openbabelJNI.OBBond_SetUp(swigCPtr, this); + openbabelJNI.OBBond_SetUp(swigCPtr, this); } public void SetDown() { - net.sourceforge.openbabelJNI.OBBond_SetDown(swigCPtr, this); + openbabelJNI.OBBond_SetDown(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBBond_SetInRing(swigCPtr, this); + openbabelJNI.OBBond_SetInRing(swigCPtr, this); } public void SetClosure() { - net.sourceforge.openbabelJNI.OBBond_SetClosure(swigCPtr, this); + openbabelJNI.OBBond_SetClosure(swigCPtr, this); } public void UnsetHash() { - net.sourceforge.openbabelJNI.OBBond_UnsetHash(swigCPtr, this); + openbabelJNI.OBBond_UnsetHash(swigCPtr, this); } public void UnsetWedge() { - net.sourceforge.openbabelJNI.OBBond_UnsetWedge(swigCPtr, this); + openbabelJNI.OBBond_UnsetWedge(swigCPtr, this); } public void UnsetUp() { - net.sourceforge.openbabelJNI.OBBond_UnsetUp(swigCPtr, this); + openbabelJNI.OBBond_UnsetUp(swigCPtr, this); } public void UnsetDown() { - net.sourceforge.openbabelJNI.OBBond_UnsetDown(swigCPtr, this); + openbabelJNI.OBBond_UnsetDown(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBBond_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBBond_UnsetAromatic(swigCPtr, this); } public void UnsetKekule() { - net.sourceforge.openbabelJNI.OBBond_UnsetKekule(swigCPtr, this); + openbabelJNI.OBBond_UnsetKekule(swigCPtr, this); + } + + public long GetIdx() { + return openbabelJNI.OBBond_GetIdx(swigCPtr, this); } public long GetBO() { - return net.sourceforge.openbabelJNI.OBBond_GetBO(swigCPtr, this); + return openbabelJNI.OBBond_GetBO(swigCPtr, this); } public long GetBondOrder() { - return net.sourceforge.openbabelJNI.OBBond_GetBondOrder(swigCPtr, this); + return openbabelJNI.OBBond_GetBondOrder(swigCPtr, this); } public long GetFlags() { - return net.sourceforge.openbabelJNI.OBBond_GetFlags(swigCPtr, this); + return openbabelJNI.OBBond_GetFlags(swigCPtr, this); } public long GetBeginAtomIdx() { - return net.sourceforge.openbabelJNI.OBBond_GetBeginAtomIdx(swigCPtr, this); + return openbabelJNI.OBBond_GetBeginAtomIdx(swigCPtr, this); } public long GetEndAtomIdx() { - return net.sourceforge.openbabelJNI.OBBond_GetEndAtomIdx(swigCPtr, this); + return openbabelJNI.OBBond_GetEndAtomIdx(swigCPtr, this); } public OBAtom GetBeginAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBBond_GetBeginAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBBond_GetBeginAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom GetEndAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBBond_GetEndAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBBond_GetEndAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom GetNbrAtom(OBAtom ptr) { - long cPtr = net.sourceforge.openbabelJNI.OBBond_GetNbrAtom(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); + long cPtr = openbabelJNI.OBBond_GetNbrAtom(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBBond_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public double GetEquibLength() { - return net.sourceforge.openbabelJNI.OBBond_GetEquibLength(swigCPtr, this); + return openbabelJNI.OBBond_GetEquibLength(swigCPtr, this); } public double GetLength() { - return net.sourceforge.openbabelJNI.OBBond_GetLength(swigCPtr, this); + return openbabelJNI.OBBond_GetLength(swigCPtr, this); } public int GetNbrAtomIdx(OBAtom ptr) { - return net.sourceforge.openbabelJNI.OBBond_GetNbrAtomIdx(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); + return openbabelJNI.OBBond_GetNbrAtomIdx(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBBond_IsAromatic(swigCPtr, this); + return openbabelJNI.OBBond_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBBond_IsInRing(swigCPtr, this); + return openbabelJNI.OBBond_IsInRing(swigCPtr, this); } public boolean IsRotor() { - return net.sourceforge.openbabelJNI.OBBond_IsRotor(swigCPtr, this); + return openbabelJNI.OBBond_IsRotor(swigCPtr, this); } public boolean IsAmide() { - return net.sourceforge.openbabelJNI.OBBond_IsAmide(swigCPtr, this); + return openbabelJNI.OBBond_IsAmide(swigCPtr, this); } public boolean IsPrimaryAmide() { - return net.sourceforge.openbabelJNI.OBBond_IsPrimaryAmide(swigCPtr, this); + return openbabelJNI.OBBond_IsPrimaryAmide(swigCPtr, this); } public boolean IsSecondaryAmide() { - return net.sourceforge.openbabelJNI.OBBond_IsSecondaryAmide(swigCPtr, this); + return openbabelJNI.OBBond_IsSecondaryAmide(swigCPtr, this); } public boolean IsEster() { - return net.sourceforge.openbabelJNI.OBBond_IsEster(swigCPtr, this); + return openbabelJNI.OBBond_IsEster(swigCPtr, this); } public boolean IsCarbonyl() { - return net.sourceforge.openbabelJNI.OBBond_IsCarbonyl(swigCPtr, this); + return openbabelJNI.OBBond_IsCarbonyl(swigCPtr, this); } public boolean IsSingle() { - return net.sourceforge.openbabelJNI.OBBond_IsSingle(swigCPtr, this); + return openbabelJNI.OBBond_IsSingle(swigCPtr, this); } public boolean IsDouble() { - return net.sourceforge.openbabelJNI.OBBond_IsDouble(swigCPtr, this); + return openbabelJNI.OBBond_IsDouble(swigCPtr, this); } public boolean IsTriple() { - return net.sourceforge.openbabelJNI.OBBond_IsTriple(swigCPtr, this); + return openbabelJNI.OBBond_IsTriple(swigCPtr, this); } public boolean IsKSingle() { - return net.sourceforge.openbabelJNI.OBBond_IsKSingle(swigCPtr, this); + return openbabelJNI.OBBond_IsKSingle(swigCPtr, this); } public boolean IsKDouble() { - return net.sourceforge.openbabelJNI.OBBond_IsKDouble(swigCPtr, this); + return openbabelJNI.OBBond_IsKDouble(swigCPtr, this); } public boolean IsKTriple() { - return net.sourceforge.openbabelJNI.OBBond_IsKTriple(swigCPtr, this); + return openbabelJNI.OBBond_IsKTriple(swigCPtr, this); } public boolean IsClosure() { - return net.sourceforge.openbabelJNI.OBBond_IsClosure(swigCPtr, this); + return openbabelJNI.OBBond_IsClosure(swigCPtr, this); } public boolean IsUp() { - return net.sourceforge.openbabelJNI.OBBond_IsUp(swigCPtr, this); + return openbabelJNI.OBBond_IsUp(swigCPtr, this); } public boolean IsDown() { - return net.sourceforge.openbabelJNI.OBBond_IsDown(swigCPtr, this); + return openbabelJNI.OBBond_IsDown(swigCPtr, this); } public boolean IsWedge() { - return net.sourceforge.openbabelJNI.OBBond_IsWedge(swigCPtr, this); + return openbabelJNI.OBBond_IsWedge(swigCPtr, this); } public boolean IsHash() { - return net.sourceforge.openbabelJNI.OBBond_IsHash(swigCPtr, this); + return openbabelJNI.OBBond_IsHash(swigCPtr, this); } public boolean IsDoubleBondGeometry() { - return net.sourceforge.openbabelJNI.OBBond_IsDoubleBondGeometry(swigCPtr, this); + return openbabelJNI.OBBond_IsDoubleBondGeometry(swigCPtr, this); } } diff --git a/scripts/java/OBChiralData.java b/scripts/java/OBChiralData.java index 1a08fb5b6..c452b8e6f 100644 --- a/scripts/java/OBChiralData.java +++ b/scripts/java/OBChiralData.java @@ -11,7 +11,7 @@ public class OBChiralData extends OBGenericData { private long swigCPtr; protected OBChiralData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBChiralDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBChiralDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,47 +26,47 @@ public class OBChiralData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBChiralData(swigCPtr); + openbabelJNI.delete_OBChiralData(swigCPtr); } swigCPtr = 0; super.delete(); } public SWIGTYPE_p_std__vectorTunsigned_int_t GetAtom4Refs(atomreftype t) { - return new SWIGTYPE_p_std__vectorTunsigned_int_t(net.sourceforge.openbabelJNI.OBChiralData_GetAtom4Refs(swigCPtr, this, t.swigValue()), true); + return new SWIGTYPE_p_std__vectorTunsigned_int_t(openbabelJNI.OBChiralData_GetAtom4Refs(swigCPtr, this, t.swigValue()), true); } public long GetAtomRef(int a, atomreftype t) { - return net.sourceforge.openbabelJNI.OBChiralData_GetAtomRef(swigCPtr, this, a, t.swigValue()); + return openbabelJNI.OBChiralData_GetAtomRef(swigCPtr, this, a, t.swigValue()); } public OBChiralData() { - this(net.sourceforge.openbabelJNI.new_OBChiralData__SWIG_0(), true); + this(openbabelJNI.new_OBChiralData__SWIG_0(), true); } public OBChiralData(OBChiralData src) { - this(net.sourceforge.openbabelJNI.new_OBChiralData__SWIG_1(OBChiralData.getCPtr(src), src), true); + this(openbabelJNI.new_OBChiralData__SWIG_1(OBChiralData.getCPtr(src), src), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBChiralData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBChiralData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void Clear() { - net.sourceforge.openbabelJNI.OBChiralData_Clear(swigCPtr, this); + openbabelJNI.OBChiralData_Clear(swigCPtr, this); } public boolean SetAtom4Refs(SWIGTYPE_p_std__vectorTunsigned_int_t atom4refs, atomreftype t) { - return net.sourceforge.openbabelJNI.OBChiralData_SetAtom4Refs(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_int_t.getCPtr(atom4refs), t.swigValue()); + return openbabelJNI.OBChiralData_SetAtom4Refs(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_int_t.getCPtr(atom4refs), t.swigValue()); } public int AddAtomRef(long atomref, atomreftype t) { - return net.sourceforge.openbabelJNI.OBChiralData_AddAtomRef(swigCPtr, this, atomref, t.swigValue()); + return openbabelJNI.OBChiralData_AddAtomRef(swigCPtr, this, atomref, t.swigValue()); } public long GetSize(atomreftype t) { - return net.sourceforge.openbabelJNI.OBChiralData_GetSize(swigCPtr, this, t.swigValue()); + return openbabelJNI.OBChiralData_GetSize(swigCPtr, this, t.swigValue()); } } diff --git a/scripts/java/OBCommentData.java b/scripts/java/OBCommentData.java index dac291fb3..d5640aefd 100644 --- a/scripts/java/OBCommentData.java +++ b/scripts/java/OBCommentData.java @@ -11,7 +11,7 @@ public class OBCommentData extends OBGenericData { private long swigCPtr; protected OBCommentData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBCommentDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBCommentDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,35 +26,35 @@ public class OBCommentData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBCommentData(swigCPtr); + openbabelJNI.delete_OBCommentData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBCommentData() { - this(net.sourceforge.openbabelJNI.new_OBCommentData__SWIG_0(), true); + this(openbabelJNI.new_OBCommentData__SWIG_0(), true); } public OBCommentData(OBCommentData arg0) { - this(net.sourceforge.openbabelJNI.new_OBCommentData__SWIG_1(OBCommentData.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBCommentData__SWIG_1(OBCommentData.getCPtr(arg0), arg0), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBCommentData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBCommentData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetData(String data) { - net.sourceforge.openbabelJNI.OBCommentData_SetData__SWIG_0(swigCPtr, this, data); + openbabelJNI.OBCommentData_SetData__SWIG_0(swigCPtr, this, data); } public String GetData() { - return net.sourceforge.openbabelJNI.OBCommentData_GetData(swigCPtr, this); + return openbabelJNI.OBCommentData_GetData(swigCPtr, this); } public String GetValue() { - return net.sourceforge.openbabelJNI.OBCommentData_GetValue(swigCPtr, this); + return openbabelJNI.OBCommentData_GetValue(swigCPtr, this); } } diff --git a/scripts/java/OBConformerData.java b/scripts/java/OBConformerData.java index 6832040bf..74af6604c 100644 --- a/scripts/java/OBConformerData.java +++ b/scripts/java/OBConformerData.java @@ -11,7 +11,7 @@ public class OBConformerData extends OBGenericData { private long swigCPtr; protected OBConformerData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBConformerDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBConformerDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,71 +26,71 @@ public class OBConformerData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBConformerData(swigCPtr); + openbabelJNI.delete_OBConformerData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBConformerData() { - this(net.sourceforge.openbabelJNI.new_OBConformerData__SWIG_0(), true); + this(openbabelJNI.new_OBConformerData__SWIG_0(), true); } public OBConformerData(OBConformerData arg0) { - this(net.sourceforge.openbabelJNI.new_OBConformerData__SWIG_1(OBConformerData.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBConformerData__SWIG_1(OBConformerData.getCPtr(arg0), arg0), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBConformerData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBConformerData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetDimension(SWIGTYPE_p_std__vectorTunsigned_short_t vd) { - net.sourceforge.openbabelJNI.OBConformerData_SetDimension(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_short_t.getCPtr(vd)); + openbabelJNI.OBConformerData_SetDimension(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_short_t.getCPtr(vd)); } public void SetEnergies(vectorDouble ve) { - net.sourceforge.openbabelJNI.OBConformerData_SetEnergies(swigCPtr, this, vectorDouble.getCPtr(ve), ve); + openbabelJNI.OBConformerData_SetEnergies(swigCPtr, this, vectorDouble.getCPtr(ve), ve); } public void SetForces(SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t vf) { - net.sourceforge.openbabelJNI.OBConformerData_SetForces(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t.getCPtr(vf)); + openbabelJNI.OBConformerData_SetForces(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t.getCPtr(vf)); } public void SetVelocities(SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t vv) { - net.sourceforge.openbabelJNI.OBConformerData_SetVelocities(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t.getCPtr(vv)); + openbabelJNI.OBConformerData_SetVelocities(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t.getCPtr(vv)); } public void SetDisplacements(SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t vd) { - net.sourceforge.openbabelJNI.OBConformerData_SetDisplacements(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t.getCPtr(vd)); + openbabelJNI.OBConformerData_SetDisplacements(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t.getCPtr(vd)); } public void SetData(SWIGTYPE_p_std__vectorTstd__string_t vdat) { - net.sourceforge.openbabelJNI.OBConformerData_SetData(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(vdat)); + openbabelJNI.OBConformerData_SetData(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(vdat)); } public SWIGTYPE_p_std__vectorTunsigned_short_t GetDimension() { - return new SWIGTYPE_p_std__vectorTunsigned_short_t(net.sourceforge.openbabelJNI.OBConformerData_GetDimension(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTunsigned_short_t(openbabelJNI.OBConformerData_GetDimension(swigCPtr, this), true); } public vectorDouble GetEnergies() { - return new vectorDouble(net.sourceforge.openbabelJNI.OBConformerData_GetEnergies(swigCPtr, this), true); + return new vectorDouble(openbabelJNI.OBConformerData_GetEnergies(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t GetForces() { - return new SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t(net.sourceforge.openbabelJNI.OBConformerData_GetForces(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t(openbabelJNI.OBConformerData_GetForces(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t GetVelocities() { - return new SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t(net.sourceforge.openbabelJNI.OBConformerData_GetVelocities(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t(openbabelJNI.OBConformerData_GetVelocities(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t GetDisplacements() { - return new SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t(net.sourceforge.openbabelJNI.OBConformerData_GetDisplacements(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t(openbabelJNI.OBConformerData_GetDisplacements(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTstd__string_t GetData() { - return new SWIGTYPE_p_std__vectorTstd__string_t(net.sourceforge.openbabelJNI.OBConformerData_GetData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTstd__string_t(openbabelJNI.OBConformerData_GetData(swigCPtr, this), true); } } diff --git a/scripts/java/OBConversion.java b/scripts/java/OBConversion.java index 93c8dfb29..73af5db5e 100644 --- a/scripts/java/OBConversion.java +++ b/scripts/java/OBConversion.java @@ -27,276 +27,276 @@ public class OBConversion { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBConversion(swigCPtr); + openbabelJNI.delete_OBConversion(swigCPtr); } swigCPtr = 0; } public OBConversion(SWIGTYPE_p_std__istream is, SWIGTYPE_p_std__ostream os) { - this(net.sourceforge.openbabelJNI.new_OBConversion__SWIG_0(SWIGTYPE_p_std__istream.getCPtr(is), SWIGTYPE_p_std__ostream.getCPtr(os)), true); + this(openbabelJNI.new_OBConversion__SWIG_0(SWIGTYPE_p_std__istream.getCPtr(is), SWIGTYPE_p_std__ostream.getCPtr(os)), true); } public OBConversion(SWIGTYPE_p_std__istream is) { - this(net.sourceforge.openbabelJNI.new_OBConversion__SWIG_1(SWIGTYPE_p_std__istream.getCPtr(is)), true); + this(openbabelJNI.new_OBConversion__SWIG_1(SWIGTYPE_p_std__istream.getCPtr(is)), true); } public OBConversion() { - this(net.sourceforge.openbabelJNI.new_OBConversion__SWIG_2(), true); + this(openbabelJNI.new_OBConversion__SWIG_2(), true); } public OBConversion(OBConversion o) { - this(net.sourceforge.openbabelJNI.new_OBConversion__SWIG_3(OBConversion.getCPtr(o), o), true); + this(openbabelJNI.new_OBConversion__SWIG_3(OBConversion.getCPtr(o), o), true); } public static int RegisterFormat(String ID, OBFormat pFormat, String MIME) { - return net.sourceforge.openbabelJNI.OBConversion_RegisterFormat__SWIG_0(ID, OBFormat.getCPtr(pFormat), pFormat, MIME); + return openbabelJNI.OBConversion_RegisterFormat__SWIG_0(ID, OBFormat.getCPtr(pFormat), pFormat, MIME); } public static int RegisterFormat(String ID, OBFormat pFormat) { - return net.sourceforge.openbabelJNI.OBConversion_RegisterFormat__SWIG_1(ID, OBFormat.getCPtr(pFormat), pFormat); + return openbabelJNI.OBConversion_RegisterFormat__SWIG_1(ID, OBFormat.getCPtr(pFormat), pFormat); } public static OBFormat FindFormat(String ID) { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_FindFormat(ID); + long cPtr = openbabelJNI.OBConversion_FindFormat(ID); return (cPtr == 0) ? null : new OBFormat(cPtr, false); } public static OBFormat FormatFromExt(String filename) { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_FormatFromExt(filename); + long cPtr = openbabelJNI.OBConversion_FormatFromExt(filename); return (cPtr == 0) ? null : new OBFormat(cPtr, false); } public static OBFormat FormatFromMIME(String MIME) { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_FormatFromMIME(MIME); + long cPtr = openbabelJNI.OBConversion_FormatFromMIME(MIME); return (cPtr == 0) ? null : new OBFormat(cPtr, false); } public static boolean GetNextFormat(SWIGTYPE_p_OpenBabel__FMapType__iterator itr, SWIGTYPE_p_char str, OBFormat pFormat) { - return net.sourceforge.openbabelJNI.OBConversion_GetNextFormat(SWIGTYPE_p_OpenBabel__FMapType__iterator.getCPtr(itr), SWIGTYPE_p_char.getCPtr(str), OBFormat.getCPtr(pFormat)); + return openbabelJNI.OBConversion_GetNextFormat(SWIGTYPE_p_OpenBabel__FMapType__iterator.getCPtr(itr), SWIGTYPE_p_char.getCPtr(str), OBFormat.getCPtr(pFormat)); } public static String Description() { - return net.sourceforge.openbabelJNI.OBConversion_Description(); + return openbabelJNI.OBConversion_Description(); } public SWIGTYPE_p_std__istream GetInStream() { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetInStream(swigCPtr, this); + long cPtr = openbabelJNI.OBConversion_GetInStream(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_std__istream(cPtr, false); } public SWIGTYPE_p_std__ostream GetOutStream() { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetOutStream(swigCPtr, this); + long cPtr = openbabelJNI.OBConversion_GetOutStream(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_std__ostream(cPtr, false); } public void SetInStream(SWIGTYPE_p_std__istream pIn) { - net.sourceforge.openbabelJNI.OBConversion_SetInStream(swigCPtr, this, SWIGTYPE_p_std__istream.getCPtr(pIn)); + openbabelJNI.OBConversion_SetInStream(swigCPtr, this, SWIGTYPE_p_std__istream.getCPtr(pIn)); } public void SetOutStream(SWIGTYPE_p_std__ostream pOut) { - net.sourceforge.openbabelJNI.OBConversion_SetOutStream(swigCPtr, this, SWIGTYPE_p_std__ostream.getCPtr(pOut)); + openbabelJNI.OBConversion_SetOutStream(swigCPtr, this, SWIGTYPE_p_std__ostream.getCPtr(pOut)); } public boolean SetInAndOutFormats(String inID, String outID) { - return net.sourceforge.openbabelJNI.OBConversion_SetInAndOutFormats__SWIG_0(swigCPtr, this, inID, outID); + return openbabelJNI.OBConversion_SetInAndOutFormats__SWIG_0(swigCPtr, this, inID, outID); } public boolean SetInAndOutFormats(OBFormat pIn, OBFormat pOut) { - return net.sourceforge.openbabelJNI.OBConversion_SetInAndOutFormats__SWIG_1(swigCPtr, this, OBFormat.getCPtr(pIn), pIn, OBFormat.getCPtr(pOut), pOut); + return openbabelJNI.OBConversion_SetInAndOutFormats__SWIG_1(swigCPtr, this, OBFormat.getCPtr(pIn), pIn, OBFormat.getCPtr(pOut), pOut); } public boolean SetInFormat(String inID) { - return net.sourceforge.openbabelJNI.OBConversion_SetInFormat__SWIG_0(swigCPtr, this, inID); + return openbabelJNI.OBConversion_SetInFormat__SWIG_0(swigCPtr, this, inID); } public boolean SetInFormat(OBFormat pIn) { - return net.sourceforge.openbabelJNI.OBConversion_SetInFormat__SWIG_1(swigCPtr, this, OBFormat.getCPtr(pIn), pIn); + return openbabelJNI.OBConversion_SetInFormat__SWIG_1(swigCPtr, this, OBFormat.getCPtr(pIn), pIn); } public boolean SetOutFormat(String outID) { - return net.sourceforge.openbabelJNI.OBConversion_SetOutFormat__SWIG_0(swigCPtr, this, outID); + return openbabelJNI.OBConversion_SetOutFormat__SWIG_0(swigCPtr, this, outID); } public boolean SetOutFormat(OBFormat pOut) { - return net.sourceforge.openbabelJNI.OBConversion_SetOutFormat__SWIG_1(swigCPtr, this, OBFormat.getCPtr(pOut), pOut); + return openbabelJNI.OBConversion_SetOutFormat__SWIG_1(swigCPtr, this, OBFormat.getCPtr(pOut), pOut); } public OBFormat GetInFormat() { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetInFormat(swigCPtr, this); + long cPtr = openbabelJNI.OBConversion_GetInFormat(swigCPtr, this); return (cPtr == 0) ? null : new OBFormat(cPtr, false); } public OBFormat GetOutFormat() { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetOutFormat(swigCPtr, this); + long cPtr = openbabelJNI.OBConversion_GetOutFormat(swigCPtr, this); return (cPtr == 0) ? null : new OBFormat(cPtr, false); } public String GetInFilename() { - return net.sourceforge.openbabelJNI.OBConversion_GetInFilename(swigCPtr, this); + return openbabelJNI.OBConversion_GetInFilename(swigCPtr, this); } public SWIGTYPE_p_std__streampos GetInPos() { - return new SWIGTYPE_p_std__streampos(net.sourceforge.openbabelJNI.OBConversion_GetInPos(swigCPtr, this), true); + return new SWIGTYPE_p_std__streampos(openbabelJNI.OBConversion_GetInPos(swigCPtr, this), true); } public long GetInLen() { - return net.sourceforge.openbabelJNI.OBConversion_GetInLen(swigCPtr, this); + return openbabelJNI.OBConversion_GetInLen(swigCPtr, this); } public String GetTitle() { - return net.sourceforge.openbabelJNI.OBConversion_GetTitle(swigCPtr, this); + return openbabelJNI.OBConversion_GetTitle(swigCPtr, this); } public OBConversion GetAuxConv() { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetAuxConv(swigCPtr, this); + long cPtr = openbabelJNI.OBConversion_GetAuxConv(swigCPtr, this); return (cPtr == 0) ? null : new OBConversion(cPtr, false); } public void SetAuxConv(OBConversion pConv) { - net.sourceforge.openbabelJNI.OBConversion_SetAuxConv(swigCPtr, this, OBConversion.getCPtr(pConv), pConv); + openbabelJNI.OBConversion_SetAuxConv(swigCPtr, this, OBConversion.getCPtr(pConv), pConv); } public String IsOption(String opt, OBConversion.Option_type opttyp) { - return net.sourceforge.openbabelJNI.OBConversion_IsOption__SWIG_0(swigCPtr, this, opt, opttyp.swigValue()); + return openbabelJNI.OBConversion_IsOption__SWIG_0(swigCPtr, this, opt, opttyp.swigValue()); } public String IsOption(String opt) { - return net.sourceforge.openbabelJNI.OBConversion_IsOption__SWIG_1(swigCPtr, this, opt); + return openbabelJNI.OBConversion_IsOption__SWIG_1(swigCPtr, this, opt); } public SWIGTYPE_p_std__mapTstd__string_std__string_t GetOptions(OBConversion.Option_type opttyp) { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetOptions(swigCPtr, this, opttyp.swigValue()); + long cPtr = openbabelJNI.OBConversion_GetOptions(swigCPtr, this, opttyp.swigValue()); return (cPtr == 0) ? null : new SWIGTYPE_p_std__mapTstd__string_std__string_t(cPtr, false); } public void AddOption(String opt, OBConversion.Option_type opttyp, String txt) { - net.sourceforge.openbabelJNI.OBConversion_AddOption__SWIG_0(swigCPtr, this, opt, opttyp.swigValue(), txt); + openbabelJNI.OBConversion_AddOption__SWIG_0(swigCPtr, this, opt, opttyp.swigValue(), txt); } public void AddOption(String opt, OBConversion.Option_type opttyp) { - net.sourceforge.openbabelJNI.OBConversion_AddOption__SWIG_1(swigCPtr, this, opt, opttyp.swigValue()); + openbabelJNI.OBConversion_AddOption__SWIG_1(swigCPtr, this, opt, opttyp.swigValue()); } public boolean RemoveOption(String opt, OBConversion.Option_type optype) { - return net.sourceforge.openbabelJNI.OBConversion_RemoveOption(swigCPtr, this, opt, optype.swigValue()); + return openbabelJNI.OBConversion_RemoveOption(swigCPtr, this, opt, optype.swigValue()); } public void SetOptions(String options, OBConversion.Option_type opttyp) { - net.sourceforge.openbabelJNI.OBConversion_SetOptions(swigCPtr, this, options, opttyp.swigValue()); + openbabelJNI.OBConversion_SetOptions(swigCPtr, this, options, opttyp.swigValue()); } public static void RegisterOptionParam(String name, OBFormat pFormat, int numberParams, OBConversion.Option_type typ) { - net.sourceforge.openbabelJNI.OBConversion_RegisterOptionParam__SWIG_0(name, OBFormat.getCPtr(pFormat), pFormat, numberParams, typ.swigValue()); + openbabelJNI.OBConversion_RegisterOptionParam__SWIG_0(name, OBFormat.getCPtr(pFormat), pFormat, numberParams, typ.swigValue()); } public static void RegisterOptionParam(String name, OBFormat pFormat, int numberParams) { - net.sourceforge.openbabelJNI.OBConversion_RegisterOptionParam__SWIG_1(name, OBFormat.getCPtr(pFormat), pFormat, numberParams); + openbabelJNI.OBConversion_RegisterOptionParam__SWIG_1(name, OBFormat.getCPtr(pFormat), pFormat, numberParams); } public static void RegisterOptionParam(String name, OBFormat pFormat) { - net.sourceforge.openbabelJNI.OBConversion_RegisterOptionParam__SWIG_2(name, OBFormat.getCPtr(pFormat), pFormat); + openbabelJNI.OBConversion_RegisterOptionParam__SWIG_2(name, OBFormat.getCPtr(pFormat), pFormat); } public static int GetOptionParams(String name, OBConversion.Option_type typ) { - return net.sourceforge.openbabelJNI.OBConversion_GetOptionParams(name, typ.swigValue()); + return openbabelJNI.OBConversion_GetOptionParams(name, typ.swigValue()); } public int Convert(SWIGTYPE_p_std__istream is, SWIGTYPE_p_std__ostream os) { - return net.sourceforge.openbabelJNI.OBConversion_Convert__SWIG_0(swigCPtr, this, SWIGTYPE_p_std__istream.getCPtr(is), SWIGTYPE_p_std__ostream.getCPtr(os)); + return openbabelJNI.OBConversion_Convert__SWIG_0(swigCPtr, this, SWIGTYPE_p_std__istream.getCPtr(is), SWIGTYPE_p_std__ostream.getCPtr(os)); } public int Convert() { - return net.sourceforge.openbabelJNI.OBConversion_Convert__SWIG_1(swigCPtr, this); + return openbabelJNI.OBConversion_Convert__SWIG_1(swigCPtr, this); } public int FullConvert(SWIGTYPE_p_std__vectorTstd__string_t FileList, SWIGTYPE_p_std__string OutputFileName, SWIGTYPE_p_std__vectorTstd__string_t OutputFileList) { - return net.sourceforge.openbabelJNI.OBConversion_FullConvert(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(FileList), SWIGTYPE_p_std__string.getCPtr(OutputFileName), SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(OutputFileList)); + return openbabelJNI.OBConversion_FullConvert(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(FileList), SWIGTYPE_p_std__string.getCPtr(OutputFileName), SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(OutputFileList)); } public boolean AddChemObject(OBBase pOb) { - return net.sourceforge.openbabelJNI.OBConversion_AddChemObject(swigCPtr, this, OBBase.getCPtr(pOb), pOb); + return openbabelJNI.OBConversion_AddChemObject(swigCPtr, this, OBBase.getCPtr(pOb), pOb); } public OBBase GetChemObject() { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetChemObject(swigCPtr, this); + long cPtr = openbabelJNI.OBConversion_GetChemObject(swigCPtr, this); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public boolean IsLast() { - return net.sourceforge.openbabelJNI.OBConversion_IsLast(swigCPtr, this); + return openbabelJNI.OBConversion_IsLast(swigCPtr, this); } public boolean IsFirstInput() { - return net.sourceforge.openbabelJNI.OBConversion_IsFirstInput(swigCPtr, this); + return openbabelJNI.OBConversion_IsFirstInput(swigCPtr, this); } public int GetOutputIndex() { - return net.sourceforge.openbabelJNI.OBConversion_GetOutputIndex(swigCPtr, this); + return openbabelJNI.OBConversion_GetOutputIndex(swigCPtr, this); } public void SetOutputIndex(int indx) { - net.sourceforge.openbabelJNI.OBConversion_SetOutputIndex(swigCPtr, this, indx); + openbabelJNI.OBConversion_SetOutputIndex(swigCPtr, this, indx); } public void SetMoreFilesToCome() { - net.sourceforge.openbabelJNI.OBConversion_SetMoreFilesToCome(swigCPtr, this); + openbabelJNI.OBConversion_SetMoreFilesToCome(swigCPtr, this); } public void SetOneObjectOnly(boolean b) { - net.sourceforge.openbabelJNI.OBConversion_SetOneObjectOnly__SWIG_0(swigCPtr, this, b); + openbabelJNI.OBConversion_SetOneObjectOnly__SWIG_0(swigCPtr, this, b); } public void SetOneObjectOnly() { - net.sourceforge.openbabelJNI.OBConversion_SetOneObjectOnly__SWIG_1(swigCPtr, this); + openbabelJNI.OBConversion_SetOneObjectOnly__SWIG_1(swigCPtr, this); } public static OBFormat GetDefaultFormat() { - long cPtr = net.sourceforge.openbabelJNI.OBConversion_GetDefaultFormat(); + long cPtr = openbabelJNI.OBConversion_GetDefaultFormat(); return (cPtr == 0) ? null : new OBFormat(cPtr, false); } public boolean Write(OBBase pOb, SWIGTYPE_p_std__ostream pout) { - return net.sourceforge.openbabelJNI.OBConversion_Write__SWIG_0(swigCPtr, this, OBBase.getCPtr(pOb), pOb, SWIGTYPE_p_std__ostream.getCPtr(pout)); + return openbabelJNI.OBConversion_Write__SWIG_0(swigCPtr, this, OBBase.getCPtr(pOb), pOb, SWIGTYPE_p_std__ostream.getCPtr(pout)); } public boolean Write(OBBase pOb) { - return net.sourceforge.openbabelJNI.OBConversion_Write__SWIG_1(swigCPtr, this, OBBase.getCPtr(pOb), pOb); + return openbabelJNI.OBConversion_Write__SWIG_1(swigCPtr, this, OBBase.getCPtr(pOb), pOb); } public String WriteString(OBBase pOb, boolean trimWhitespace) { - return net.sourceforge.openbabelJNI.OBConversion_WriteString__SWIG_0(swigCPtr, this, OBBase.getCPtr(pOb), pOb, trimWhitespace); + return openbabelJNI.OBConversion_WriteString__SWIG_0(swigCPtr, this, OBBase.getCPtr(pOb), pOb, trimWhitespace); } public String WriteString(OBBase pOb) { - return net.sourceforge.openbabelJNI.OBConversion_WriteString__SWIG_1(swigCPtr, this, OBBase.getCPtr(pOb), pOb); + return openbabelJNI.OBConversion_WriteString__SWIG_1(swigCPtr, this, OBBase.getCPtr(pOb), pOb); } public boolean WriteFile(OBBase pOb, String filePath) { - return net.sourceforge.openbabelJNI.OBConversion_WriteFile(swigCPtr, this, OBBase.getCPtr(pOb), pOb, filePath); + return openbabelJNI.OBConversion_WriteFile(swigCPtr, this, OBBase.getCPtr(pOb), pOb, filePath); } public boolean Read(OBBase pOb, SWIGTYPE_p_std__istream pin) { - return net.sourceforge.openbabelJNI.OBConversion_Read__SWIG_0(swigCPtr, this, OBBase.getCPtr(pOb), pOb, SWIGTYPE_p_std__istream.getCPtr(pin)); + return openbabelJNI.OBConversion_Read__SWIG_0(swigCPtr, this, OBBase.getCPtr(pOb), pOb, SWIGTYPE_p_std__istream.getCPtr(pin)); } public boolean Read(OBBase pOb) { - return net.sourceforge.openbabelJNI.OBConversion_Read__SWIG_1(swigCPtr, this, OBBase.getCPtr(pOb), pOb); + return openbabelJNI.OBConversion_Read__SWIG_1(swigCPtr, this, OBBase.getCPtr(pOb), pOb); } public boolean ReadString(OBBase pOb, String input) { - return net.sourceforge.openbabelJNI.OBConversion_ReadString(swigCPtr, this, OBBase.getCPtr(pOb), pOb, input); + return openbabelJNI.OBConversion_ReadString(swigCPtr, this, OBBase.getCPtr(pOb), pOb, input); } public boolean ReadFile(OBBase pOb, String filePath) { - return net.sourceforge.openbabelJNI.OBConversion_ReadFile(swigCPtr, this, OBBase.getCPtr(pOb), pOb, filePath); + return openbabelJNI.OBConversion_ReadFile(swigCPtr, this, OBBase.getCPtr(pOb), pOb, filePath); } public static String BatchFileName(SWIGTYPE_p_std__string BaseName, SWIGTYPE_p_std__string InFile) { - return net.sourceforge.openbabelJNI.OBConversion_BatchFileName(SWIGTYPE_p_std__string.getCPtr(BaseName), SWIGTYPE_p_std__string.getCPtr(InFile)); + return openbabelJNI.OBConversion_BatchFileName(SWIGTYPE_p_std__string.getCPtr(BaseName), SWIGTYPE_p_std__string.getCPtr(InFile)); } public static String IncrementedFileName(SWIGTYPE_p_std__string BaseName, int Count) { - return net.sourceforge.openbabelJNI.OBConversion_IncrementedFileName(SWIGTYPE_p_std__string.getCPtr(BaseName), Count); + return openbabelJNI.OBConversion_IncrementedFileName(SWIGTYPE_p_std__string.getCPtr(BaseName), Count); } public final static class Option_type { diff --git a/scripts/java/OBEdgeBase.java b/scripts/java/OBEdgeBase.java index 1c2b06201..ec8587d4a 100644 --- a/scripts/java/OBEdgeBase.java +++ b/scripts/java/OBEdgeBase.java @@ -11,7 +11,7 @@ public class OBEdgeBase extends OBBase { private long swigCPtr; protected OBEdgeBase(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBEdgeBaseUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBEdgeBaseUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,93 +26,93 @@ public class OBEdgeBase extends OBBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBEdgeBase(swigCPtr); + openbabelJNI.delete_OBEdgeBase(swigCPtr); } swigCPtr = 0; super.delete(); } public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBEdgeBase_Visit_set(swigCPtr, this, value); + openbabelJNI.OBEdgeBase_Visit_set(swigCPtr, this, value); } public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBEdgeBase_Visit_get(swigCPtr, this); + return openbabelJNI.OBEdgeBase_Visit_get(swigCPtr, this); } public OBEdgeBase() { - this(net.sourceforge.openbabelJNI.new_OBEdgeBase__SWIG_0(), true); + this(openbabelJNI.new_OBEdgeBase__SWIG_0(), true); } public OBEdgeBase(OBNodeBase arg0, OBNodeBase arg1) { - this(net.sourceforge.openbabelJNI.new_OBEdgeBase__SWIG_1(OBNodeBase.getCPtr(arg0), arg0, OBNodeBase.getCPtr(arg1), arg1), true); + this(openbabelJNI.new_OBEdgeBase__SWIG_1(OBNodeBase.getCPtr(arg0), arg0, OBNodeBase.getCPtr(arg1), arg1), true); } public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBEdgeBase_GetParent(swigCPtr, this); + long cPtr = openbabelJNI.OBEdgeBase_GetParent(swigCPtr, this); return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); } public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBEdgeBase_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); + openbabelJNI.OBEdgeBase_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBEdgeBase_GetIdx(swigCPtr, this); + return openbabelJNI.OBEdgeBase_GetIdx(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBEdgeBase_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBEdgeBase_SetIdx(swigCPtr, this, idx); } public void SetBgn(OBNodeBase n) { - net.sourceforge.openbabelJNI.OBEdgeBase_SetBgn(swigCPtr, this, OBNodeBase.getCPtr(n), n); + openbabelJNI.OBEdgeBase_SetBgn(swigCPtr, this, OBNodeBase.getCPtr(n), n); } public void SetEnd(OBNodeBase n) { - net.sourceforge.openbabelJNI.OBEdgeBase_SetEnd(swigCPtr, this, OBNodeBase.getCPtr(n), n); + openbabelJNI.OBEdgeBase_SetEnd(swigCPtr, this, OBNodeBase.getCPtr(n), n); } public void SwapEnds() { - net.sourceforge.openbabelJNI.OBEdgeBase_SwapEnds(swigCPtr, this); + openbabelJNI.OBEdgeBase_SwapEnds(swigCPtr, this); } public OBNodeBase GetBgn() { - long cPtr = net.sourceforge.openbabelJNI.OBEdgeBase_GetBgn(swigCPtr, this); + long cPtr = openbabelJNI.OBEdgeBase_GetBgn(swigCPtr, this); return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); } public OBNodeBase GetEnd() { - long cPtr = net.sourceforge.openbabelJNI.OBEdgeBase_GetEnd(swigCPtr, this); + long cPtr = openbabelJNI.OBEdgeBase_GetEnd(swigCPtr, this); return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); } public void Error(int f) { - net.sourceforge.openbabelJNI.OBEdgeBase_Error(swigCPtr, this, f); + openbabelJNI.OBEdgeBase_Error(swigCPtr, this, f); } public void SetClosure() { - net.sourceforge.openbabelJNI.OBEdgeBase_SetClosure(swigCPtr, this); + openbabelJNI.OBEdgeBase_SetClosure(swigCPtr, this); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBEdgeBase_IsAromatic(swigCPtr, this); + return openbabelJNI.OBEdgeBase_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBEdgeBase_IsInRing(swigCPtr, this); + return openbabelJNI.OBEdgeBase_IsInRing(swigCPtr, this); } public boolean IsClosure() { - return net.sourceforge.openbabelJNI.OBEdgeBase_IsClosure(swigCPtr, this); + return openbabelJNI.OBEdgeBase_IsClosure(swigCPtr, this); } public boolean Eval(OBEdgeBase arg0) { - return net.sourceforge.openbabelJNI.OBEdgeBase_Eval(swigCPtr, this, OBEdgeBase.getCPtr(arg0), arg0); + return openbabelJNI.OBEdgeBase_Eval(swigCPtr, this, OBEdgeBase.getCPtr(arg0), arg0); } public long GetBO() { - return net.sourceforge.openbabelJNI.OBEdgeBase_GetBO(swigCPtr, this); + return openbabelJNI.OBEdgeBase_GetBO(swigCPtr, this); } } diff --git a/scripts/java/OBElement.java b/scripts/java/OBElement.java index 5ca5436cb..018a01e88 100644 --- a/scripts/java/OBElement.java +++ b/scripts/java/OBElement.java @@ -27,69 +27,69 @@ public class OBElement { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBElement(swigCPtr); + openbabelJNI.delete_OBElement(swigCPtr); } swigCPtr = 0; } public OBElement() { - this(net.sourceforge.openbabelJNI.new_OBElement__SWIG_0(), true); + this(openbabelJNI.new_OBElement__SWIG_0(), true); } public OBElement(int num, String sym, double rcov, double rvdw, int maxbo, double mass, double elNeg, double ionize, double elAffin, double red, double green, double blue, String name) { - this(net.sourceforge.openbabelJNI.new_OBElement__SWIG_1(num, sym, rcov, rvdw, maxbo, mass, elNeg, ionize, elAffin, red, green, blue, name), true); + this(openbabelJNI.new_OBElement__SWIG_1(num, sym, rcov, rvdw, maxbo, mass, elNeg, ionize, elAffin, red, green, blue, name), true); } public int GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBElement_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBElement_GetAtomicNum(swigCPtr, this); } public String GetSymbol() { - return net.sourceforge.openbabelJNI.OBElement_GetSymbol(swigCPtr, this); + return openbabelJNI.OBElement_GetSymbol(swigCPtr, this); } public double GetCovalentRad() { - return net.sourceforge.openbabelJNI.OBElement_GetCovalentRad(swigCPtr, this); + return openbabelJNI.OBElement_GetCovalentRad(swigCPtr, this); } public double GetVdwRad() { - return net.sourceforge.openbabelJNI.OBElement_GetVdwRad(swigCPtr, this); + return openbabelJNI.OBElement_GetVdwRad(swigCPtr, this); } public double GetMass() { - return net.sourceforge.openbabelJNI.OBElement_GetMass(swigCPtr, this); + return openbabelJNI.OBElement_GetMass(swigCPtr, this); } public int GetMaxBonds() { - return net.sourceforge.openbabelJNI.OBElement_GetMaxBonds(swigCPtr, this); + return openbabelJNI.OBElement_GetMaxBonds(swigCPtr, this); } public double GetElectroNeg() { - return net.sourceforge.openbabelJNI.OBElement_GetElectroNeg(swigCPtr, this); + return openbabelJNI.OBElement_GetElectroNeg(swigCPtr, this); } public double GetIonization() { - return net.sourceforge.openbabelJNI.OBElement_GetIonization(swigCPtr, this); + return openbabelJNI.OBElement_GetIonization(swigCPtr, this); } public double GetElectronAffinity() { - return net.sourceforge.openbabelJNI.OBElement_GetElectronAffinity(swigCPtr, this); + return openbabelJNI.OBElement_GetElectronAffinity(swigCPtr, this); } public String GetName() { - return net.sourceforge.openbabelJNI.OBElement_GetName(swigCPtr, this); + return openbabelJNI.OBElement_GetName(swigCPtr, this); } public double GetRed() { - return net.sourceforge.openbabelJNI.OBElement_GetRed(swigCPtr, this); + return openbabelJNI.OBElement_GetRed(swigCPtr, this); } public double GetGreen() { - return net.sourceforge.openbabelJNI.OBElement_GetGreen(swigCPtr, this); + return openbabelJNI.OBElement_GetGreen(swigCPtr, this); } public double GetBlue() { - return net.sourceforge.openbabelJNI.OBElement_GetBlue(swigCPtr, this); + return openbabelJNI.OBElement_GetBlue(swigCPtr, this); } } diff --git a/scripts/java/OBElementTable.java b/scripts/java/OBElementTable.java index 449c324d5..a896dbd4b 100644 --- a/scripts/java/OBElementTable.java +++ b/scripts/java/OBElementTable.java @@ -11,7 +11,7 @@ public class OBElementTable extends OBGlobalDataBase { private long swigCPtr; protected OBElementTable(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBElementTableUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBElementTableUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,90 +26,90 @@ public class OBElementTable extends OBGlobalDataBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBElementTable(swigCPtr); + openbabelJNI.delete_OBElementTable(swigCPtr); } swigCPtr = 0; super.delete(); } public OBElementTable() { - this(net.sourceforge.openbabelJNI.new_OBElementTable(), true); + this(openbabelJNI.new_OBElementTable(), true); } public void ParseLine(String arg0) { - net.sourceforge.openbabelJNI.OBElementTable_ParseLine(swigCPtr, this, arg0); + openbabelJNI.OBElementTable_ParseLine(swigCPtr, this, arg0); } public long GetNumberOfElements() { - return net.sourceforge.openbabelJNI.OBElementTable_GetNumberOfElements(swigCPtr, this); + return openbabelJNI.OBElementTable_GetNumberOfElements(swigCPtr, this); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBElementTable_GetSize(swigCPtr, this); + return openbabelJNI.OBElementTable_GetSize(swigCPtr, this); } public int GetAtomicNum(String arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetAtomicNum__SWIG_0(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetAtomicNum__SWIG_0(swigCPtr, this, arg0); } public int GetAtomicNum(String arg0, SWIGTYPE_p_int iso) { - return net.sourceforge.openbabelJNI.OBElementTable_GetAtomicNum__SWIG_1(swigCPtr, this, arg0, SWIGTYPE_p_int.getCPtr(iso)); + return openbabelJNI.OBElementTable_GetAtomicNum__SWIG_1(swigCPtr, this, arg0, SWIGTYPE_p_int.getCPtr(iso)); } public String GetSymbol(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetSymbol(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetSymbol(swigCPtr, this, arg0); } public double GetVdwRad(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetVdwRad(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetVdwRad(swigCPtr, this, arg0); } public double GetCovalentRad(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetCovalentRad(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetCovalentRad(swigCPtr, this, arg0); } public double GetMass(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetMass(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetMass(swigCPtr, this, arg0); } public double CorrectedBondRad(int arg0, int arg1) { - return net.sourceforge.openbabelJNI.OBElementTable_CorrectedBondRad__SWIG_0(swigCPtr, this, arg0, arg1); + return openbabelJNI.OBElementTable_CorrectedBondRad__SWIG_0(swigCPtr, this, arg0, arg1); } public double CorrectedBondRad(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_CorrectedBondRad__SWIG_1(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_CorrectedBondRad__SWIG_1(swigCPtr, this, arg0); } public double CorrectedVdwRad(int arg0, int arg1) { - return net.sourceforge.openbabelJNI.OBElementTable_CorrectedVdwRad__SWIG_0(swigCPtr, this, arg0, arg1); + return openbabelJNI.OBElementTable_CorrectedVdwRad__SWIG_0(swigCPtr, this, arg0, arg1); } public double CorrectedVdwRad(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_CorrectedVdwRad__SWIG_1(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_CorrectedVdwRad__SWIG_1(swigCPtr, this, arg0); } public int GetMaxBonds(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetMaxBonds(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetMaxBonds(swigCPtr, this, arg0); } public double GetElectroNeg(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetElectroNeg(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetElectroNeg(swigCPtr, this, arg0); } public double GetIonization(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetIonization(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetIonization(swigCPtr, this, arg0); } public double GetElectronAffinity(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetElectronAffinity(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetElectronAffinity(swigCPtr, this, arg0); } public vectorDouble GetRGB(int arg0) { - return new vectorDouble(net.sourceforge.openbabelJNI.OBElementTable_GetRGB(swigCPtr, this, arg0), true); + return new vectorDouble(openbabelJNI.OBElementTable_GetRGB(swigCPtr, this, arg0), true); } public String GetName(int arg0) { - return net.sourceforge.openbabelJNI.OBElementTable_GetName(swigCPtr, this, arg0); + return openbabelJNI.OBElementTable_GetName(swigCPtr, this, arg0); } } diff --git a/scripts/java/OBError.java b/scripts/java/OBError.java index 0abaea7cd..1a18d0019 100644 --- a/scripts/java/OBError.java +++ b/scripts/java/OBError.java @@ -27,65 +27,65 @@ public class OBError { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBError(swigCPtr); + openbabelJNI.delete_OBError(swigCPtr); } swigCPtr = 0; } public OBError(String method, String errorMsg, String explanation, String possibleCause, String suggestedRemedy, obMessageLevel arg5) { - this(net.sourceforge.openbabelJNI.new_OBError__SWIG_0(method, errorMsg, explanation, possibleCause, suggestedRemedy, arg5.swigValue()), true); + this(openbabelJNI.new_OBError__SWIG_0(method, errorMsg, explanation, possibleCause, suggestedRemedy, arg5.swigValue()), true); } public OBError(String method, String errorMsg, String explanation, String possibleCause, String suggestedRemedy) { - this(net.sourceforge.openbabelJNI.new_OBError__SWIG_1(method, errorMsg, explanation, possibleCause, suggestedRemedy), true); + this(openbabelJNI.new_OBError__SWIG_1(method, errorMsg, explanation, possibleCause, suggestedRemedy), true); } public OBError(String method, String errorMsg, String explanation, String possibleCause) { - this(net.sourceforge.openbabelJNI.new_OBError__SWIG_2(method, errorMsg, explanation, possibleCause), true); + this(openbabelJNI.new_OBError__SWIG_2(method, errorMsg, explanation, possibleCause), true); } public OBError(String method, String errorMsg, String explanation) { - this(net.sourceforge.openbabelJNI.new_OBError__SWIG_3(method, errorMsg, explanation), true); + this(openbabelJNI.new_OBError__SWIG_3(method, errorMsg, explanation), true); } public OBError(String method, String errorMsg) { - this(net.sourceforge.openbabelJNI.new_OBError__SWIG_4(method, errorMsg), true); + this(openbabelJNI.new_OBError__SWIG_4(method, errorMsg), true); } public OBError(String method) { - this(net.sourceforge.openbabelJNI.new_OBError__SWIG_5(method), true); + this(openbabelJNI.new_OBError__SWIG_5(method), true); } public OBError() { - this(net.sourceforge.openbabelJNI.new_OBError__SWIG_6(), true); + this(openbabelJNI.new_OBError__SWIG_6(), true); } public String message() { - return net.sourceforge.openbabelJNI.OBError_message(swigCPtr, this); + return openbabelJNI.OBError_message(swigCPtr, this); } public String GetMethod() { - return net.sourceforge.openbabelJNI.OBError_GetMethod(swigCPtr, this); + return openbabelJNI.OBError_GetMethod(swigCPtr, this); } public String GetError() { - return net.sourceforge.openbabelJNI.OBError_GetError(swigCPtr, this); + return openbabelJNI.OBError_GetError(swigCPtr, this); } public String GetExplanation() { - return net.sourceforge.openbabelJNI.OBError_GetExplanation(swigCPtr, this); + return openbabelJNI.OBError_GetExplanation(swigCPtr, this); } public String GetPossibleCause() { - return net.sourceforge.openbabelJNI.OBError_GetPossibleCause(swigCPtr, this); + return openbabelJNI.OBError_GetPossibleCause(swigCPtr, this); } public String GetSuggestedRemedy() { - return net.sourceforge.openbabelJNI.OBError_GetSuggestedRemedy(swigCPtr, this); + return openbabelJNI.OBError_GetSuggestedRemedy(swigCPtr, this); } public obMessageLevel GetLevel() { - return obMessageLevel.swigToEnum(net.sourceforge.openbabelJNI.OBError_GetLevel(swigCPtr, this)); + return obMessageLevel.swigToEnum(openbabelJNI.OBError_GetLevel(swigCPtr, this)); } } diff --git a/scripts/java/OBExternalBond.java b/scripts/java/OBExternalBond.java index b5834835a..26da641d0 100644 --- a/scripts/java/OBExternalBond.java +++ b/scripts/java/OBExternalBond.java @@ -27,47 +27,47 @@ public class OBExternalBond { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBExternalBond(swigCPtr); + openbabelJNI.delete_OBExternalBond(swigCPtr); } swigCPtr = 0; } public OBExternalBond() { - this(net.sourceforge.openbabelJNI.new_OBExternalBond__SWIG_0(), true); + this(openbabelJNI.new_OBExternalBond__SWIG_0(), true); } public OBExternalBond(OBAtom arg0, OBBond arg1, int arg2) { - this(net.sourceforge.openbabelJNI.new_OBExternalBond__SWIG_1(OBAtom.getCPtr(arg0), arg0, OBBond.getCPtr(arg1), arg1, arg2), true); + this(openbabelJNI.new_OBExternalBond__SWIG_1(OBAtom.getCPtr(arg0), arg0, OBBond.getCPtr(arg1), arg1, arg2), true); } public OBExternalBond(OBExternalBond arg0) { - this(net.sourceforge.openbabelJNI.new_OBExternalBond__SWIG_2(OBExternalBond.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBExternalBond__SWIG_2(OBExternalBond.getCPtr(arg0), arg0), true); } public int GetIdx() { - return net.sourceforge.openbabelJNI.OBExternalBond_GetIdx(swigCPtr, this); + return openbabelJNI.OBExternalBond_GetIdx(swigCPtr, this); } public OBAtom GetAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBExternalBond_GetAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBExternalBond_GetAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBBond GetBond() { - long cPtr = net.sourceforge.openbabelJNI.OBExternalBond_GetBond(swigCPtr, this); + long cPtr = openbabelJNI.OBExternalBond_GetBond(swigCPtr, this); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBExternalBond_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBExternalBond_SetIdx(swigCPtr, this, idx); } public void SetAtom(OBAtom atom) { - net.sourceforge.openbabelJNI.OBExternalBond_SetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + openbabelJNI.OBExternalBond_SetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public void SetBond(OBBond bond) { - net.sourceforge.openbabelJNI.OBExternalBond_SetBond(swigCPtr, this, OBBond.getCPtr(bond), bond); + openbabelJNI.OBExternalBond_SetBond(swigCPtr, this, OBBond.getCPtr(bond), bond); } } diff --git a/scripts/java/OBExternalBondData.java b/scripts/java/OBExternalBondData.java index dd277252d..8d4afbc6b 100644 --- a/scripts/java/OBExternalBondData.java +++ b/scripts/java/OBExternalBondData.java @@ -11,7 +11,7 @@ public class OBExternalBondData extends OBGenericData { private long swigCPtr; protected OBExternalBondData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBExternalBondDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBExternalBondDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,27 +26,27 @@ public class OBExternalBondData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBExternalBondData(swigCPtr); + openbabelJNI.delete_OBExternalBondData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBExternalBondData() { - this(net.sourceforge.openbabelJNI.new_OBExternalBondData(), true); + this(openbabelJNI.new_OBExternalBondData(), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBExternalBondData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBExternalBondData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetData(OBAtom arg0, OBBond arg1, int arg2) { - net.sourceforge.openbabelJNI.OBExternalBondData_SetData(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, OBBond.getCPtr(arg1), arg1, arg2); + openbabelJNI.OBExternalBondData_SetData(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, OBBond.getCPtr(arg1), arg1, arg2); } public SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_t GetData() { - long cPtr = net.sourceforge.openbabelJNI.OBExternalBondData_GetData(swigCPtr, this); + long cPtr = openbabelJNI.OBExternalBondData_GetData(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_t(cPtr, false); } diff --git a/scripts/java/OBFormat.java b/scripts/java/OBFormat.java index 7fc44356d..4cb10210e 100644 --- a/scripts/java/OBFormat.java +++ b/scripts/java/OBFormat.java @@ -27,57 +27,57 @@ public class OBFormat { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBFormat(swigCPtr); + openbabelJNI.delete_OBFormat(swigCPtr); } swigCPtr = 0; } public boolean ReadMolecule(OBBase arg0, OBConversion arg1) { - return net.sourceforge.openbabelJNI.OBFormat_ReadMolecule(swigCPtr, this, OBBase.getCPtr(arg0), arg0, OBConversion.getCPtr(arg1), arg1); + return openbabelJNI.OBFormat_ReadMolecule(swigCPtr, this, OBBase.getCPtr(arg0), arg0, OBConversion.getCPtr(arg1), arg1); } public boolean ReadChemObject(OBConversion arg0) { - return net.sourceforge.openbabelJNI.OBFormat_ReadChemObject(swigCPtr, this, OBConversion.getCPtr(arg0), arg0); + return openbabelJNI.OBFormat_ReadChemObject(swigCPtr, this, OBConversion.getCPtr(arg0), arg0); } public boolean WriteMolecule(OBBase arg0, OBConversion arg1) { - return net.sourceforge.openbabelJNI.OBFormat_WriteMolecule(swigCPtr, this, OBBase.getCPtr(arg0), arg0, OBConversion.getCPtr(arg1), arg1); + return openbabelJNI.OBFormat_WriteMolecule(swigCPtr, this, OBBase.getCPtr(arg0), arg0, OBConversion.getCPtr(arg1), arg1); } public boolean WriteChemObject(OBConversion arg0) { - return net.sourceforge.openbabelJNI.OBFormat_WriteChemObject(swigCPtr, this, OBConversion.getCPtr(arg0), arg0); + return openbabelJNI.OBFormat_WriteChemObject(swigCPtr, this, OBConversion.getCPtr(arg0), arg0); } public String Description() { - return net.sourceforge.openbabelJNI.OBFormat_Description(swigCPtr, this); + return openbabelJNI.OBFormat_Description(swigCPtr, this); } public String TargetClassDescription() { - return net.sourceforge.openbabelJNI.OBFormat_TargetClassDescription(swigCPtr, this); + return openbabelJNI.OBFormat_TargetClassDescription(swigCPtr, this); } public SWIGTYPE_p_std__type_info GetType() { - return new SWIGTYPE_p_std__type_info(net.sourceforge.openbabelJNI.OBFormat_GetType(swigCPtr, this), false); + return new SWIGTYPE_p_std__type_info(openbabelJNI.OBFormat_GetType(swigCPtr, this), false); } public String SpecificationURL() { - return net.sourceforge.openbabelJNI.OBFormat_SpecificationURL(swigCPtr, this); + return openbabelJNI.OBFormat_SpecificationURL(swigCPtr, this); } public String GetMIMEType() { - return net.sourceforge.openbabelJNI.OBFormat_GetMIMEType(swigCPtr, this); + return openbabelJNI.OBFormat_GetMIMEType(swigCPtr, this); } public long Flags() { - return net.sourceforge.openbabelJNI.OBFormat_Flags(swigCPtr, this); + return openbabelJNI.OBFormat_Flags(swigCPtr, this); } public int SkipObjects(int arg0, OBConversion arg1) { - return net.sourceforge.openbabelJNI.OBFormat_SkipObjects(swigCPtr, this, arg0, OBConversion.getCPtr(arg1), arg1); + return openbabelJNI.OBFormat_SkipObjects(swigCPtr, this, arg0, OBConversion.getCPtr(arg1), arg1); } public OBFormat MakeNewInstance() { - long cPtr = net.sourceforge.openbabelJNI.OBFormat_MakeNewInstance(swigCPtr, this); + long cPtr = openbabelJNI.OBFormat_MakeNewInstance(swigCPtr, this); return (cPtr == 0) ? null : new OBFormat(cPtr, false); } diff --git a/scripts/java/OBGenericData.java b/scripts/java/OBGenericData.java index 70fe5b62a..44ed214fe 100644 --- a/scripts/java/OBGenericData.java +++ b/scripts/java/OBGenericData.java @@ -27,42 +27,42 @@ public class OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBGenericData(swigCPtr); + openbabelJNI.delete_OBGenericData(swigCPtr); } swigCPtr = 0; } public OBGenericData(String attr, long type) { - this(net.sourceforge.openbabelJNI.new_OBGenericData__SWIG_0(attr, type), true); + this(openbabelJNI.new_OBGenericData__SWIG_0(attr, type), true); } public OBGenericData(String attr) { - this(net.sourceforge.openbabelJNI.new_OBGenericData__SWIG_1(attr), true); + this(openbabelJNI.new_OBGenericData__SWIG_1(attr), true); } public OBGenericData() { - this(net.sourceforge.openbabelJNI.new_OBGenericData__SWIG_2(), true); + this(openbabelJNI.new_OBGenericData__SWIG_2(), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBGenericData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBGenericData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetAttribute(String v) { - net.sourceforge.openbabelJNI.OBGenericData_SetAttribute(swigCPtr, this, v); + openbabelJNI.OBGenericData_SetAttribute(swigCPtr, this, v); } public String GetAttribute() { - return net.sourceforge.openbabelJNI.OBGenericData_GetAttribute(swigCPtr, this); + return openbabelJNI.OBGenericData_GetAttribute(swigCPtr, this); } public long GetDataType() { - return net.sourceforge.openbabelJNI.OBGenericData_GetDataType(swigCPtr, this); + return openbabelJNI.OBGenericData_GetDataType(swigCPtr, this); } public String GetValue() { - return net.sourceforge.openbabelJNI.OBGenericData_GetValue(swigCPtr, this); + return openbabelJNI.OBGenericData_GetValue(swigCPtr, this); } } diff --git a/scripts/java/OBGlobalDataBase.java b/scripts/java/OBGlobalDataBase.java index 4de8483bf..41c9c38a8 100644 --- a/scripts/java/OBGlobalDataBase.java +++ b/scripts/java/OBGlobalDataBase.java @@ -27,33 +27,33 @@ public class OBGlobalDataBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBGlobalDataBase(swigCPtr); + openbabelJNI.delete_OBGlobalDataBase(swigCPtr); } swigCPtr = 0; } public OBGlobalDataBase() { - this(net.sourceforge.openbabelJNI.new_OBGlobalDataBase(), true); + this(openbabelJNI.new_OBGlobalDataBase(), true); } public void Init() { - net.sourceforge.openbabelJNI.OBGlobalDataBase_Init(swigCPtr, this); + openbabelJNI.OBGlobalDataBase_Init(swigCPtr, this); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBGlobalDataBase_GetSize(swigCPtr, this); + return openbabelJNI.OBGlobalDataBase_GetSize(swigCPtr, this); } public void SetReadDirectory(String dir) { - net.sourceforge.openbabelJNI.OBGlobalDataBase_SetReadDirectory(swigCPtr, this, dir); + openbabelJNI.OBGlobalDataBase_SetReadDirectory(swigCPtr, this, dir); } public void SetEnvironmentVariable(String var) { - net.sourceforge.openbabelJNI.OBGlobalDataBase_SetEnvironmentVariable(swigCPtr, this, var); + openbabelJNI.OBGlobalDataBase_SetEnvironmentVariable(swigCPtr, this, var); } public void ParseLine(String arg0) { - net.sourceforge.openbabelJNI.OBGlobalDataBase_ParseLine(swigCPtr, this, arg0); + openbabelJNI.OBGlobalDataBase_ParseLine(swigCPtr, this, arg0); } } diff --git a/scripts/java/OBGraphBase.java b/scripts/java/OBGraphBase.java index 71bf6bbbf..8d69f67b0 100644 --- a/scripts/java/OBGraphBase.java +++ b/scripts/java/OBGraphBase.java @@ -11,7 +11,7 @@ public class OBGraphBase extends OBBase { private long swigCPtr; protected OBGraphBase(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBGraphBaseUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBGraphBaseUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,38 +26,38 @@ public class OBGraphBase extends OBBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBGraphBase(swigCPtr); + openbabelJNI.delete_OBGraphBase(swigCPtr); } swigCPtr = 0; super.delete(); } public OBGraphBase() { - this(net.sourceforge.openbabelJNI.new_OBGraphBase__SWIG_0(), true); + this(openbabelJNI.new_OBGraphBase__SWIG_0(), true); } public OBGraphBase(OBGraphBase arg0) { - this(net.sourceforge.openbabelJNI.new_OBGraphBase__SWIG_1(OBGraphBase.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBGraphBase__SWIG_1(OBGraphBase.getCPtr(arg0), arg0), true); } public long NumNodes() { - return net.sourceforge.openbabelJNI.OBGraphBase_NumNodes(swigCPtr, this); + return openbabelJNI.OBGraphBase_NumNodes(swigCPtr, this); } public long NumEdges() { - return net.sourceforge.openbabelJNI.OBGraphBase_NumEdges(swigCPtr, this); + return openbabelJNI.OBGraphBase_NumEdges(swigCPtr, this); } public void ResetVisitFlags() { - net.sourceforge.openbabelJNI.OBGraphBase_ResetVisitFlags(swigCPtr, this); + openbabelJNI.OBGraphBase_ResetVisitFlags(swigCPtr, this); } public boolean SetVisitLock(boolean arg0) { - return net.sourceforge.openbabelJNI.OBGraphBase_SetVisitLock(swigCPtr, this, arg0); + return openbabelJNI.OBGraphBase_SetVisitLock(swigCPtr, this, arg0); } public boolean GetVisitLock() { - return net.sourceforge.openbabelJNI.OBGraphBase_GetVisitLock(swigCPtr, this); + return openbabelJNI.OBGraphBase_GetVisitLock(swigCPtr, this); } } diff --git a/scripts/java/OBIsotopeTable.java b/scripts/java/OBIsotopeTable.java index ee7203877..16aaeeadb 100644 --- a/scripts/java/OBIsotopeTable.java +++ b/scripts/java/OBIsotopeTable.java @@ -11,7 +11,7 @@ public class OBIsotopeTable extends OBGlobalDataBase { private long swigCPtr; protected OBIsotopeTable(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBIsotopeTableUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBIsotopeTableUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,30 +26,30 @@ public class OBIsotopeTable extends OBGlobalDataBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBIsotopeTable(swigCPtr); + openbabelJNI.delete_OBIsotopeTable(swigCPtr); } swigCPtr = 0; super.delete(); } public OBIsotopeTable() { - this(net.sourceforge.openbabelJNI.new_OBIsotopeTable(), true); + this(openbabelJNI.new_OBIsotopeTable(), true); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBIsotopeTable_GetSize(swigCPtr, this); + return openbabelJNI.OBIsotopeTable_GetSize(swigCPtr, this); } public void ParseLine(String arg0) { - net.sourceforge.openbabelJNI.OBIsotopeTable_ParseLine(swigCPtr, this, arg0); + openbabelJNI.OBIsotopeTable_ParseLine(swigCPtr, this, arg0); } public double GetExactMass(long atomicNum, long isotope) { - return net.sourceforge.openbabelJNI.OBIsotopeTable_GetExactMass__SWIG_0(swigCPtr, this, atomicNum, isotope); + return openbabelJNI.OBIsotopeTable_GetExactMass__SWIG_0(swigCPtr, this, atomicNum, isotope); } public double GetExactMass(long atomicNum) { - return net.sourceforge.openbabelJNI.OBIsotopeTable_GetExactMass__SWIG_1(swigCPtr, this, atomicNum); + return openbabelJNI.OBIsotopeTable_GetExactMass__SWIG_1(swigCPtr, this, atomicNum); } } diff --git a/scripts/java/OBMessageHandler.java b/scripts/java/OBMessageHandler.java index 2b182d9d0..44cc21ef4 100644 --- a/scripts/java/OBMessageHandler.java +++ b/scripts/java/OBMessageHandler.java @@ -27,98 +27,98 @@ public class OBMessageHandler { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBMessageHandler(swigCPtr); + openbabelJNI.delete_OBMessageHandler(swigCPtr); } swigCPtr = 0; } public OBMessageHandler() { - this(net.sourceforge.openbabelJNI.new_OBMessageHandler(), true); + this(openbabelJNI.new_OBMessageHandler(), true); } public void ThrowError(OBError err) { - net.sourceforge.openbabelJNI.OBMessageHandler_ThrowError__SWIG_0(swigCPtr, this, OBError.getCPtr(err), err); + openbabelJNI.OBMessageHandler_ThrowError__SWIG_0(swigCPtr, this, OBError.getCPtr(err), err); } public void ThrowError(String method, String errorMsg, obMessageLevel level) { - net.sourceforge.openbabelJNI.OBMessageHandler_ThrowError__SWIG_1(swigCPtr, this, method, errorMsg, level.swigValue()); + openbabelJNI.OBMessageHandler_ThrowError__SWIG_1(swigCPtr, this, method, errorMsg, level.swigValue()); } public void ThrowError(String method, String errorMsg) { - net.sourceforge.openbabelJNI.OBMessageHandler_ThrowError__SWIG_2(swigCPtr, this, method, errorMsg); + openbabelJNI.OBMessageHandler_ThrowError__SWIG_2(swigCPtr, this, method, errorMsg); } public SWIGTYPE_p_std__vectorTstd__string_t GetMessagesOfLevel(obMessageLevel arg0) { - return new SWIGTYPE_p_std__vectorTstd__string_t(net.sourceforge.openbabelJNI.OBMessageHandler_GetMessagesOfLevel(swigCPtr, this, arg0.swigValue()), true); + return new SWIGTYPE_p_std__vectorTstd__string_t(openbabelJNI.OBMessageHandler_GetMessagesOfLevel(swigCPtr, this, arg0.swigValue()), true); } public void StartLogging() { - net.sourceforge.openbabelJNI.OBMessageHandler_StartLogging(swigCPtr, this); + openbabelJNI.OBMessageHandler_StartLogging(swigCPtr, this); } public void StopLogging() { - net.sourceforge.openbabelJNI.OBMessageHandler_StopLogging(swigCPtr, this); + openbabelJNI.OBMessageHandler_StopLogging(swigCPtr, this); } public void SetMaxLogEntries(long max) { - net.sourceforge.openbabelJNI.OBMessageHandler_SetMaxLogEntries(swigCPtr, this, max); + openbabelJNI.OBMessageHandler_SetMaxLogEntries(swigCPtr, this, max); } public long GetMaxLogEntries() { - return net.sourceforge.openbabelJNI.OBMessageHandler_GetMaxLogEntries(swigCPtr, this); + return openbabelJNI.OBMessageHandler_GetMaxLogEntries(swigCPtr, this); } public void ClearLog() { - net.sourceforge.openbabelJNI.OBMessageHandler_ClearLog(swigCPtr, this); + openbabelJNI.OBMessageHandler_ClearLog(swigCPtr, this); } public void SetOutputLevel(obMessageLevel level) { - net.sourceforge.openbabelJNI.OBMessageHandler_SetOutputLevel(swigCPtr, this, level.swigValue()); + openbabelJNI.OBMessageHandler_SetOutputLevel(swigCPtr, this, level.swigValue()); } public obMessageLevel GetOutputLevel() { - return obMessageLevel.swigToEnum(net.sourceforge.openbabelJNI.OBMessageHandler_GetOutputLevel(swigCPtr, this)); + return obMessageLevel.swigToEnum(openbabelJNI.OBMessageHandler_GetOutputLevel(swigCPtr, this)); } public void SetOutputStream(SWIGTYPE_p_std__ostream os) { - net.sourceforge.openbabelJNI.OBMessageHandler_SetOutputStream(swigCPtr, this, SWIGTYPE_p_std__ostream.getCPtr(os)); + openbabelJNI.OBMessageHandler_SetOutputStream(swigCPtr, this, SWIGTYPE_p_std__ostream.getCPtr(os)); } public SWIGTYPE_p_std__ostream GetOutputStream() { - long cPtr = net.sourceforge.openbabelJNI.OBMessageHandler_GetOutputStream(swigCPtr, this); + long cPtr = openbabelJNI.OBMessageHandler_GetOutputStream(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_std__ostream(cPtr, false); } public boolean StartErrorWrap() { - return net.sourceforge.openbabelJNI.OBMessageHandler_StartErrorWrap(swigCPtr, this); + return openbabelJNI.OBMessageHandler_StartErrorWrap(swigCPtr, this); } public boolean StopErrorWrap() { - return net.sourceforge.openbabelJNI.OBMessageHandler_StopErrorWrap(swigCPtr, this); + return openbabelJNI.OBMessageHandler_StopErrorWrap(swigCPtr, this); } public long GetErrorMessageCount() { - return net.sourceforge.openbabelJNI.OBMessageHandler_GetErrorMessageCount(swigCPtr, this); + return openbabelJNI.OBMessageHandler_GetErrorMessageCount(swigCPtr, this); } public long GetWarningMessageCount() { - return net.sourceforge.openbabelJNI.OBMessageHandler_GetWarningMessageCount(swigCPtr, this); + return openbabelJNI.OBMessageHandler_GetWarningMessageCount(swigCPtr, this); } public long GetInfoMessageCount() { - return net.sourceforge.openbabelJNI.OBMessageHandler_GetInfoMessageCount(swigCPtr, this); + return openbabelJNI.OBMessageHandler_GetInfoMessageCount(swigCPtr, this); } public long GetAuditMessageCount() { - return net.sourceforge.openbabelJNI.OBMessageHandler_GetAuditMessageCount(swigCPtr, this); + return openbabelJNI.OBMessageHandler_GetAuditMessageCount(swigCPtr, this); } public long GetDebugMessageCount() { - return net.sourceforge.openbabelJNI.OBMessageHandler_GetDebugMessageCount(swigCPtr, this); + return openbabelJNI.OBMessageHandler_GetDebugMessageCount(swigCPtr, this); } public String GetMessageSummary() { - return net.sourceforge.openbabelJNI.OBMessageHandler_GetMessageSummary(swigCPtr, this); + return openbabelJNI.OBMessageHandler_GetMessageSummary(swigCPtr, this); } } diff --git a/scripts/java/OBMol.java b/scripts/java/OBMol.java index d6e4706de..bd20d5367 100644 --- a/scripts/java/OBMol.java +++ b/scripts/java/OBMol.java @@ -7,11 +7,11 @@ * ----------------------------------------------------------------------------- */ -public class OBMol extends OBGraphBase { +public class OBMol extends OBBase { private long swigCPtr; protected OBMol(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBMolUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBMolUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,713 +26,737 @@ public class OBMol extends OBGraphBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBMol(swigCPtr); + openbabelJNI.delete_OBMol(swigCPtr); } swigCPtr = 0; super.delete(); } public OBMol() { - this(net.sourceforge.openbabelJNI.new_OBMol__SWIG_0(), true); + this(openbabelJNI.new_OBMol__SWIG_0(), true); } public OBMol(OBMol arg0) { - this(net.sourceforge.openbabelJNI.new_OBMol__SWIG_1(OBMol.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBMol__SWIG_1(OBMol.getCPtr(arg0), arg0), true); } public void ReserveAtoms(int natoms) { - net.sourceforge.openbabelJNI.OBMol_ReserveAtoms(swigCPtr, this, natoms); + openbabelJNI.OBMol_ReserveAtoms(swigCPtr, this, natoms); } public OBAtom CreateAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMol_CreateAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMol_CreateAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBBond CreateBond() { - long cPtr = net.sourceforge.openbabelJNI.OBMol_CreateBond(swigCPtr, this); + long cPtr = openbabelJNI.OBMol_CreateBond(swigCPtr, this); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBResidue CreateResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBMol_CreateResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBMol_CreateResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } - public void DestroyAtom(OBNodeBase arg0) { - net.sourceforge.openbabelJNI.OBMol_DestroyAtom(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); + public void DestroyAtom(OBAtom arg0) { + openbabelJNI.OBMol_DestroyAtom(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } - public void DestroyBond(OBEdgeBase arg0) { - net.sourceforge.openbabelJNI.OBMol_DestroyBond(swigCPtr, this, OBEdgeBase.getCPtr(arg0), arg0); + public void DestroyBond(OBBond arg0) { + openbabelJNI.OBMol_DestroyBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public void DestroyResidue(OBResidue arg0) { - net.sourceforge.openbabelJNI.OBMol_DestroyResidue(swigCPtr, this, OBResidue.getCPtr(arg0), arg0); + openbabelJNI.OBMol_DestroyResidue(swigCPtr, this, OBResidue.getCPtr(arg0), arg0); } public boolean AddAtom(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMol_AddAtom(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_AddAtom(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean AddBond(int arg0, int arg1, int arg2, int flags, int insertpos) { - return net.sourceforge.openbabelJNI.OBMol_AddBond__SWIG_0(swigCPtr, this, arg0, arg1, arg2, flags, insertpos); + return openbabelJNI.OBMol_AddBond__SWIG_0(swigCPtr, this, arg0, arg1, arg2, flags, insertpos); } public boolean AddBond(int arg0, int arg1, int arg2, int flags) { - return net.sourceforge.openbabelJNI.OBMol_AddBond__SWIG_1(swigCPtr, this, arg0, arg1, arg2, flags); + return openbabelJNI.OBMol_AddBond__SWIG_1(swigCPtr, this, arg0, arg1, arg2, flags); } public boolean AddBond(int arg0, int arg1, int arg2) { - return net.sourceforge.openbabelJNI.OBMol_AddBond__SWIG_2(swigCPtr, this, arg0, arg1, arg2); + return openbabelJNI.OBMol_AddBond__SWIG_2(swigCPtr, this, arg0, arg1, arg2); } public boolean AddBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBMol_AddBond__SWIG_3(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_AddBond__SWIG_3(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public boolean AddResidue(OBResidue arg0) { - return net.sourceforge.openbabelJNI.OBMol_AddResidue(swigCPtr, this, OBResidue.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_AddResidue(swigCPtr, this, OBResidue.getCPtr(arg0), arg0); } public boolean InsertAtom(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMol_InsertAtom(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_InsertAtom(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean DeleteAtom(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMol_DeleteAtom(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_DeleteAtom(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean DeleteBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBMol_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public boolean DeleteResidue(OBResidue arg0) { - return net.sourceforge.openbabelJNI.OBMol_DeleteResidue(swigCPtr, this, OBResidue.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_DeleteResidue(swigCPtr, this, OBResidue.getCPtr(arg0), arg0); } public OBAtom NewAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMol_NewAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMol_NewAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBResidue NewResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBMol_NewResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBMol_NewResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } public void BeginModify() { - net.sourceforge.openbabelJNI.OBMol_BeginModify(swigCPtr, this); + openbabelJNI.OBMol_BeginModify(swigCPtr, this); } public void EndModify(boolean nukePerceivedData) { - net.sourceforge.openbabelJNI.OBMol_EndModify__SWIG_0(swigCPtr, this, nukePerceivedData); + openbabelJNI.OBMol_EndModify__SWIG_0(swigCPtr, this, nukePerceivedData); } public void EndModify() { - net.sourceforge.openbabelJNI.OBMol_EndModify__SWIG_1(swigCPtr, this); + openbabelJNI.OBMol_EndModify__SWIG_1(swigCPtr, this); } public int GetMod() { - return net.sourceforge.openbabelJNI.OBMol_GetMod(swigCPtr, this); + return openbabelJNI.OBMol_GetMod(swigCPtr, this); } public void IncrementMod() { - net.sourceforge.openbabelJNI.OBMol_IncrementMod(swigCPtr, this); + openbabelJNI.OBMol_IncrementMod(swigCPtr, this); } public void DecrementMod() { - net.sourceforge.openbabelJNI.OBMol_DecrementMod(swigCPtr, this); + openbabelJNI.OBMol_DecrementMod(swigCPtr, this); } public int GetFlags() { - return net.sourceforge.openbabelJNI.OBMol_GetFlags(swigCPtr, this); + return openbabelJNI.OBMol_GetFlags(swigCPtr, this); } public String GetTitle() { - return net.sourceforge.openbabelJNI.OBMol_GetTitle(swigCPtr, this); + return openbabelJNI.OBMol_GetTitle(swigCPtr, this); } public long NumAtoms() { - return net.sourceforge.openbabelJNI.OBMol_NumAtoms(swigCPtr, this); + return openbabelJNI.OBMol_NumAtoms(swigCPtr, this); } public long NumBonds() { - return net.sourceforge.openbabelJNI.OBMol_NumBonds(swigCPtr, this); + return openbabelJNI.OBMol_NumBonds(swigCPtr, this); } public long NumHvyAtoms() { - return net.sourceforge.openbabelJNI.OBMol_NumHvyAtoms(swigCPtr, this); + return openbabelJNI.OBMol_NumHvyAtoms(swigCPtr, this); } public long NumResidues() { - return net.sourceforge.openbabelJNI.OBMol_NumResidues(swigCPtr, this); + return openbabelJNI.OBMol_NumResidues(swigCPtr, this); } public long NumRotors() { - return net.sourceforge.openbabelJNI.OBMol_NumRotors(swigCPtr, this); + return openbabelJNI.OBMol_NumRotors(swigCPtr, this); } public OBAtom GetAtom(int arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetAtom(swigCPtr, this, arg0); + long cPtr = openbabelJNI.OBMol_GetAtom(swigCPtr, this, arg0); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom GetFirstAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetFirstAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMol_GetFirstAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBBond GetBond(int arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetBond__SWIG_0(swigCPtr, this, arg0); + long cPtr = openbabelJNI.OBMol_GetBond__SWIG_0(swigCPtr, this, arg0); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBBond GetBond(int arg0, int arg1) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetBond__SWIG_1(swigCPtr, this, arg0, arg1); + long cPtr = openbabelJNI.OBMol_GetBond__SWIG_1(swigCPtr, this, arg0, arg1); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBBond GetBond(OBAtom bgn, OBAtom end) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetBond__SWIG_2(swigCPtr, this, OBAtom.getCPtr(bgn), bgn, OBAtom.getCPtr(end), end); + long cPtr = openbabelJNI.OBMol_GetBond__SWIG_2(swigCPtr, this, OBAtom.getCPtr(bgn), bgn, OBAtom.getCPtr(end), end); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBResidue GetResidue(int arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetResidue(swigCPtr, this, arg0); + long cPtr = openbabelJNI.OBMol_GetResidue(swigCPtr, this, arg0); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t GetInternalCoord() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t(net.sourceforge.openbabelJNI.OBMol_GetInternalCoord(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t(openbabelJNI.OBMol_GetInternalCoord(swigCPtr, this), true); } public double GetTorsion(int arg0, int arg1, int arg2, int arg3) { - return net.sourceforge.openbabelJNI.OBMol_GetTorsion__SWIG_0(swigCPtr, this, arg0, arg1, arg2, arg3); + return openbabelJNI.OBMol_GetTorsion__SWIG_0(swigCPtr, this, arg0, arg1, arg2, arg3); } public double GetTorsion(OBAtom a, OBAtom b, OBAtom c, OBAtom d) { - return net.sourceforge.openbabelJNI.OBMol_GetTorsion__SWIG_1(swigCPtr, this, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c, OBAtom.getCPtr(d), d); + return openbabelJNI.OBMol_GetTorsion__SWIG_1(swigCPtr, this, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c, OBAtom.getCPtr(d), d); } public double GetAngle(OBAtom a, OBAtom b, OBAtom c) { - return net.sourceforge.openbabelJNI.OBMol_GetAngle(swigCPtr, this, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); + return openbabelJNI.OBMol_GetAngle(swigCPtr, this, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); } public String GetFormula() { - return net.sourceforge.openbabelJNI.OBMol_GetFormula(swigCPtr, this); + return openbabelJNI.OBMol_GetFormula(swigCPtr, this); } public String GetSpacedFormula(int ones, String sp) { - return net.sourceforge.openbabelJNI.OBMol_GetSpacedFormula__SWIG_0(swigCPtr, this, ones, sp); + return openbabelJNI.OBMol_GetSpacedFormula__SWIG_0(swigCPtr, this, ones, sp); } public String GetSpacedFormula(int ones) { - return net.sourceforge.openbabelJNI.OBMol_GetSpacedFormula__SWIG_1(swigCPtr, this, ones); + return openbabelJNI.OBMol_GetSpacedFormula__SWIG_1(swigCPtr, this, ones); } public String GetSpacedFormula() { - return net.sourceforge.openbabelJNI.OBMol_GetSpacedFormula__SWIG_2(swigCPtr, this); + return openbabelJNI.OBMol_GetSpacedFormula__SWIG_2(swigCPtr, this); } public double GetEnergy() { - return net.sourceforge.openbabelJNI.OBMol_GetEnergy(swigCPtr, this); + return openbabelJNI.OBMol_GetEnergy(swigCPtr, this); } public double GetMolWt() { - return net.sourceforge.openbabelJNI.OBMol_GetMolWt(swigCPtr, this); + return openbabelJNI.OBMol_GetMolWt(swigCPtr, this); } public double GetExactMass() { - return net.sourceforge.openbabelJNI.OBMol_GetExactMass(swigCPtr, this); + return openbabelJNI.OBMol_GetExactMass(swigCPtr, this); } public int GetTotalCharge() { - return net.sourceforge.openbabelJNI.OBMol_GetTotalCharge(swigCPtr, this); + return openbabelJNI.OBMol_GetTotalCharge(swigCPtr, this); } public long GetTotalSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBMol_GetTotalSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBMol_GetTotalSpinMultiplicity(swigCPtr, this); } public int GetDimension() { - return net.sourceforge.openbabelJNI.OBMol_GetDimension(swigCPtr, this); + return openbabelJNI.OBMol_GetDimension(swigCPtr, this); } public SWIGTYPE_p_double GetCoordinates() { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetCoordinates(swigCPtr, this); + long cPtr = openbabelJNI.OBMol_GetCoordinates(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t GetSSSR() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t(net.sourceforge.openbabelJNI.OBMol_GetSSSR(swigCPtr, this), false); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t(openbabelJNI.OBMol_GetSSSR(swigCPtr, this), false); } public boolean AutomaticFormalCharge() { - return net.sourceforge.openbabelJNI.OBMol_AutomaticFormalCharge(swigCPtr, this); + return openbabelJNI.OBMol_AutomaticFormalCharge(swigCPtr, this); } public boolean AutomaticPartialCharge() { - return net.sourceforge.openbabelJNI.OBMol_AutomaticPartialCharge(swigCPtr, this); + return openbabelJNI.OBMol_AutomaticPartialCharge(swigCPtr, this); } public void SetTitle(String title) { - net.sourceforge.openbabelJNI.OBMol_SetTitle__SWIG_0(swigCPtr, this, title); + openbabelJNI.OBMol_SetTitle__SWIG_0(swigCPtr, this, title); } public void SetTitle(SWIGTYPE_p_std__string title) { - net.sourceforge.openbabelJNI.OBMol_SetTitle__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(title)); + openbabelJNI.OBMol_SetTitle__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(title)); } public void SetFormula(String molFormula) { - net.sourceforge.openbabelJNI.OBMol_SetFormula(swigCPtr, this, molFormula); + openbabelJNI.OBMol_SetFormula(swigCPtr, this, molFormula); } public void SetEnergy(double energy) { - net.sourceforge.openbabelJNI.OBMol_SetEnergy(swigCPtr, this, energy); + openbabelJNI.OBMol_SetEnergy(swigCPtr, this, energy); } public void SetDimension(int d) { - net.sourceforge.openbabelJNI.OBMol_SetDimension(swigCPtr, this, d); + openbabelJNI.OBMol_SetDimension(swigCPtr, this, d); } public void SetTotalCharge(int charge) { - net.sourceforge.openbabelJNI.OBMol_SetTotalCharge(swigCPtr, this, charge); + openbabelJNI.OBMol_SetTotalCharge(swigCPtr, this, charge); } public void SetTotalSpinMultiplicity(long spin) { - net.sourceforge.openbabelJNI.OBMol_SetTotalSpinMultiplicity(swigCPtr, this, spin); + openbabelJNI.OBMol_SetTotalSpinMultiplicity(swigCPtr, this, spin); } public void SetInternalCoord(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t int_coord) { - net.sourceforge.openbabelJNI.OBMol_SetInternalCoord(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t.getCPtr(int_coord)); + openbabelJNI.OBMol_SetInternalCoord(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t.getCPtr(int_coord)); } public void SetAutomaticFormalCharge(boolean val) { - net.sourceforge.openbabelJNI.OBMol_SetAutomaticFormalCharge(swigCPtr, this, val); + openbabelJNI.OBMol_SetAutomaticFormalCharge(swigCPtr, this, val); } public void SetAutomaticPartialCharge(boolean val) { - net.sourceforge.openbabelJNI.OBMol_SetAutomaticPartialCharge(swigCPtr, this, val); + openbabelJNI.OBMol_SetAutomaticPartialCharge(swigCPtr, this, val); } public void SetAromaticPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetAromaticPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetAromaticPerceived(swigCPtr, this); } public void SetSSSRPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetSSSRPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetSSSRPerceived(swigCPtr, this); } public void SetRingAtomsAndBondsPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetRingAtomsAndBondsPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetRingAtomsAndBondsPerceived(swigCPtr, this); } public void SetAtomTypesPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetAtomTypesPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetAtomTypesPerceived(swigCPtr, this); } public void SetChainsPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetChainsPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetChainsPerceived(swigCPtr, this); } public void SetChiralityPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetChiralityPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetChiralityPerceived(swigCPtr, this); } public void SetPartialChargesPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetPartialChargesPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetPartialChargesPerceived(swigCPtr, this); } public void SetHybridizationPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetHybridizationPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetHybridizationPerceived(swigCPtr, this); } public void SetImplicitValencePerceived() { - net.sourceforge.openbabelJNI.OBMol_SetImplicitValencePerceived(swigCPtr, this); + openbabelJNI.OBMol_SetImplicitValencePerceived(swigCPtr, this); } public void SetKekulePerceived() { - net.sourceforge.openbabelJNI.OBMol_SetKekulePerceived(swigCPtr, this); + openbabelJNI.OBMol_SetKekulePerceived(swigCPtr, this); } public void SetClosureBondsPerceived() { - net.sourceforge.openbabelJNI.OBMol_SetClosureBondsPerceived(swigCPtr, this); + openbabelJNI.OBMol_SetClosureBondsPerceived(swigCPtr, this); } public void SetHydrogensAdded() { - net.sourceforge.openbabelJNI.OBMol_SetHydrogensAdded(swigCPtr, this); + openbabelJNI.OBMol_SetHydrogensAdded(swigCPtr, this); } public void SetCorrectedForPH() { - net.sourceforge.openbabelJNI.OBMol_SetCorrectedForPH(swigCPtr, this); + openbabelJNI.OBMol_SetCorrectedForPH(swigCPtr, this); } public void SetAromaticCorrected() { - net.sourceforge.openbabelJNI.OBMol_SetAromaticCorrected(swigCPtr, this); + openbabelJNI.OBMol_SetAromaticCorrected(swigCPtr, this); } public void SetSpinMultiplicityAssigned() { - net.sourceforge.openbabelJNI.OBMol_SetSpinMultiplicityAssigned(swigCPtr, this); + openbabelJNI.OBMol_SetSpinMultiplicityAssigned(swigCPtr, this); } public void SetFlags(int flags) { - net.sourceforge.openbabelJNI.OBMol_SetFlags(swigCPtr, this, flags); + openbabelJNI.OBMol_SetFlags(swigCPtr, this, flags); } public void UnsetAromaticPerceived() { - net.sourceforge.openbabelJNI.OBMol_UnsetAromaticPerceived(swigCPtr, this); + openbabelJNI.OBMol_UnsetAromaticPerceived(swigCPtr, this); } public void UnsetPartialChargesPerceived() { - net.sourceforge.openbabelJNI.OBMol_UnsetPartialChargesPerceived(swigCPtr, this); + openbabelJNI.OBMol_UnsetPartialChargesPerceived(swigCPtr, this); } public void UnsetImplicitValencePerceived() { - net.sourceforge.openbabelJNI.OBMol_UnsetImplicitValencePerceived(swigCPtr, this); + openbabelJNI.OBMol_UnsetImplicitValencePerceived(swigCPtr, this); } public void UnsetFlag(int flag) { - net.sourceforge.openbabelJNI.OBMol_UnsetFlag(swigCPtr, this, flag); + openbabelJNI.OBMol_UnsetFlag(swigCPtr, this, flag); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t pOptions) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(pOptions)); + long cPtr = openbabelJNI.OBMol_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(pOptions)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public static String ClassDescription() { - return net.sourceforge.openbabelJNI.OBMol_ClassDescription(); + return openbabelJNI.OBMol_ClassDescription(); } public boolean Clear() { - return net.sourceforge.openbabelJNI.OBMol_Clear(swigCPtr, this); + return openbabelJNI.OBMol_Clear(swigCPtr, this); } - public void RenumberAtoms(SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t arg0) { - net.sourceforge.openbabelJNI.OBMol_RenumberAtoms(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t.getCPtr(arg0)); + public void RenumberAtoms(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t arg0) { + openbabelJNI.OBMol_RenumberAtoms(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t.getCPtr(arg0)); } public void ToInertialFrame(int conf, SWIGTYPE_p_double rmat) { - net.sourceforge.openbabelJNI.OBMol_ToInertialFrame__SWIG_0(swigCPtr, this, conf, SWIGTYPE_p_double.getCPtr(rmat)); + openbabelJNI.OBMol_ToInertialFrame__SWIG_0(swigCPtr, this, conf, SWIGTYPE_p_double.getCPtr(rmat)); } public void ToInertialFrame() { - net.sourceforge.openbabelJNI.OBMol_ToInertialFrame__SWIG_1(swigCPtr, this); + openbabelJNI.OBMol_ToInertialFrame__SWIG_1(swigCPtr, this); } public void Translate(vector3 v) { - net.sourceforge.openbabelJNI.OBMol_Translate__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); + openbabelJNI.OBMol_Translate__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); } public void Translate(vector3 v, int conf) { - net.sourceforge.openbabelJNI.OBMol_Translate__SWIG_1(swigCPtr, this, vector3.getCPtr(v), v, conf); + openbabelJNI.OBMol_Translate__SWIG_1(swigCPtr, this, vector3.getCPtr(v), v, conf); } public void Rotate(SWIGTYPE_p_a_3__double u) { - net.sourceforge.openbabelJNI.OBMol_Rotate__SWIG_0(swigCPtr, this, SWIGTYPE_p_a_3__double.getCPtr(u)); + openbabelJNI.OBMol_Rotate__SWIG_0(swigCPtr, this, SWIGTYPE_p_a_3__double.getCPtr(u)); } public void Rotate(SWIGTYPE_p_double m) { - net.sourceforge.openbabelJNI.OBMol_Rotate__SWIG_1(swigCPtr, this, SWIGTYPE_p_double.getCPtr(m)); + openbabelJNI.OBMol_Rotate__SWIG_1(swigCPtr, this, SWIGTYPE_p_double.getCPtr(m)); } public void Rotate(SWIGTYPE_p_double m, int nconf) { - net.sourceforge.openbabelJNI.OBMol_Rotate__SWIG_2(swigCPtr, this, SWIGTYPE_p_double.getCPtr(m), nconf); + openbabelJNI.OBMol_Rotate__SWIG_2(swigCPtr, this, SWIGTYPE_p_double.getCPtr(m), nconf); } public void Center() { - net.sourceforge.openbabelJNI.OBMol_Center__SWIG_0(swigCPtr, this); + openbabelJNI.OBMol_Center__SWIG_0(swigCPtr, this); } public boolean Kekulize() { - return net.sourceforge.openbabelJNI.OBMol_Kekulize(swigCPtr, this); + return openbabelJNI.OBMol_Kekulize(swigCPtr, this); } public boolean PerceiveKekuleBonds() { - return net.sourceforge.openbabelJNI.OBMol_PerceiveKekuleBonds(swigCPtr, this); + return openbabelJNI.OBMol_PerceiveKekuleBonds(swigCPtr, this); } public void NewPerceiveKekuleBonds() { - net.sourceforge.openbabelJNI.OBMol_NewPerceiveKekuleBonds(swigCPtr, this); + openbabelJNI.OBMol_NewPerceiveKekuleBonds(swigCPtr, this); } public boolean DeleteHydrogen(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMol_DeleteHydrogen(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_DeleteHydrogen(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean DeleteHydrogens() { - return net.sourceforge.openbabelJNI.OBMol_DeleteHydrogens__SWIG_0(swigCPtr, this); + return openbabelJNI.OBMol_DeleteHydrogens__SWIG_0(swigCPtr, this); } public boolean DeleteHydrogens(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMol_DeleteHydrogens__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_DeleteHydrogens__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean DeleteNonPolarHydrogens() { - return net.sourceforge.openbabelJNI.OBMol_DeleteNonPolarHydrogens(swigCPtr, this); + return openbabelJNI.OBMol_DeleteNonPolarHydrogens(swigCPtr, this); } public boolean AddHydrogens(boolean polaronly, boolean correctForPH) { - return net.sourceforge.openbabelJNI.OBMol_AddHydrogens__SWIG_0(swigCPtr, this, polaronly, correctForPH); + return openbabelJNI.OBMol_AddHydrogens__SWIG_0(swigCPtr, this, polaronly, correctForPH); } public boolean AddHydrogens(boolean polaronly) { - return net.sourceforge.openbabelJNI.OBMol_AddHydrogens__SWIG_1(swigCPtr, this, polaronly); + return openbabelJNI.OBMol_AddHydrogens__SWIG_1(swigCPtr, this, polaronly); } public boolean AddHydrogens() { - return net.sourceforge.openbabelJNI.OBMol_AddHydrogens__SWIG_2(swigCPtr, this); + return openbabelJNI.OBMol_AddHydrogens__SWIG_2(swigCPtr, this); } public boolean AddHydrogens(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMol_AddHydrogens__SWIG_3(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_AddHydrogens__SWIG_3(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean AddPolarHydrogens() { - return net.sourceforge.openbabelJNI.OBMol_AddPolarHydrogens(swigCPtr, this); + return openbabelJNI.OBMol_AddPolarHydrogens(swigCPtr, this); } public boolean StripSalts() { - return net.sourceforge.openbabelJNI.OBMol_StripSalts(swigCPtr, this); + return openbabelJNI.OBMol_StripSalts(swigCPtr, this); } public boolean ConvertDativeBonds() { - return net.sourceforge.openbabelJNI.OBMol_ConvertDativeBonds(swigCPtr, this); + return openbabelJNI.OBMol_ConvertDativeBonds(swigCPtr, this); } public boolean CorrectForPH() { - return net.sourceforge.openbabelJNI.OBMol_CorrectForPH(swigCPtr, this); + return openbabelJNI.OBMol_CorrectForPH(swigCPtr, this); } public boolean AssignSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBMol_AssignSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBMol_AssignSpinMultiplicity(swigCPtr, this); } public vector3 Center(int nconf) { - return new vector3(net.sourceforge.openbabelJNI.OBMol_Center__SWIG_1(swigCPtr, this, nconf), true); + return new vector3(openbabelJNI.OBMol_Center__SWIG_1(swigCPtr, this, nconf), true); } public void SetTorsion(OBAtom arg0, OBAtom arg1, OBAtom arg2, OBAtom arg3, double arg4) { - net.sourceforge.openbabelJNI.OBMol_SetTorsion(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, OBAtom.getCPtr(arg3), arg3, arg4); + openbabelJNI.OBMol_SetTorsion(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, OBAtom.getCPtr(arg3), arg3, arg4); } public void FindSSSR() { - net.sourceforge.openbabelJNI.OBMol_FindSSSR(swigCPtr, this); + openbabelJNI.OBMol_FindSSSR(swigCPtr, this); } public void FindRingAtomsAndBonds() { - net.sourceforge.openbabelJNI.OBMol_FindRingAtomsAndBonds(swigCPtr, this); + openbabelJNI.OBMol_FindRingAtomsAndBonds(swigCPtr, this); } public void FindChiralCenters() { - net.sourceforge.openbabelJNI.OBMol_FindChiralCenters(swigCPtr, this); + openbabelJNI.OBMol_FindChiralCenters(swigCPtr, this); } public void FindChildren(vectorInt arg0, int arg1, int arg2) { - net.sourceforge.openbabelJNI.OBMol_FindChildren__SWIG_0(swigCPtr, this, vectorInt.getCPtr(arg0), arg0, arg1, arg2); + openbabelJNI.OBMol_FindChildren__SWIG_0(swigCPtr, this, vectorInt.getCPtr(arg0), arg0, arg1, arg2); } public void FindChildren(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t arg0, OBAtom arg1, OBAtom arg2) { - net.sourceforge.openbabelJNI.OBMol_FindChildren__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t.getCPtr(arg0), OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2); + openbabelJNI.OBMol_FindChildren__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t.getCPtr(arg0), OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2); } public void FindLargestFragment(OBBitVec arg0) { - net.sourceforge.openbabelJNI.OBMol_FindLargestFragment(swigCPtr, this, OBBitVec.getCPtr(arg0), arg0); + openbabelJNI.OBMol_FindLargestFragment(swigCPtr, this, OBBitVec.getCPtr(arg0), arg0); } public void ContigFragList(vvInt arg0) { - net.sourceforge.openbabelJNI.OBMol_ContigFragList(swigCPtr, this, vvInt.getCPtr(arg0), arg0); + openbabelJNI.OBMol_ContigFragList(swigCPtr, this, vvInt.getCPtr(arg0), arg0); } public void Align(OBAtom arg0, OBAtom arg1, vector3 arg2, vector3 arg3) { - net.sourceforge.openbabelJNI.OBMol_Align(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, OBAtom.getCPtr(arg1), arg1, vector3.getCPtr(arg2), arg2, vector3.getCPtr(arg3), arg3); + openbabelJNI.OBMol_Align(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, OBAtom.getCPtr(arg1), arg1, vector3.getCPtr(arg2), arg2, vector3.getCPtr(arg3), arg3); } public void ConnectTheDots() { - net.sourceforge.openbabelJNI.OBMol_ConnectTheDots(swigCPtr, this); + openbabelJNI.OBMol_ConnectTheDots(swigCPtr, this); } public void PerceiveBondOrders() { - net.sourceforge.openbabelJNI.OBMol_PerceiveBondOrders(swigCPtr, this); + openbabelJNI.OBMol_PerceiveBondOrders(swigCPtr, this); } public void FindTorsions() { - net.sourceforge.openbabelJNI.OBMol_FindTorsions(swigCPtr, this); + openbabelJNI.OBMol_FindTorsions(swigCPtr, this); } public boolean GetGTDVector(vectorInt arg0) { - return net.sourceforge.openbabelJNI.OBMol_GetGTDVector(swigCPtr, this, vectorInt.getCPtr(arg0), arg0); + return openbabelJNI.OBMol_GetGTDVector(swigCPtr, this, vectorInt.getCPtr(arg0), arg0); } public void GetGIVector(SWIGTYPE_p_std__vectorTunsigned_int_t arg0) { - net.sourceforge.openbabelJNI.OBMol_GetGIVector(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_int_t.getCPtr(arg0)); + openbabelJNI.OBMol_GetGIVector(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_int_t.getCPtr(arg0)); } public void GetGIDVector(SWIGTYPE_p_std__vectorTunsigned_int_t arg0) { - net.sourceforge.openbabelJNI.OBMol_GetGIDVector(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_int_t.getCPtr(arg0)); + openbabelJNI.OBMol_GetGIDVector(swigCPtr, this, SWIGTYPE_p_std__vectorTunsigned_int_t.getCPtr(arg0)); } public boolean Has2D() { - return net.sourceforge.openbabelJNI.OBMol_Has2D(swigCPtr, this); + return openbabelJNI.OBMol_Has2D(swigCPtr, this); } public boolean Has3D() { - return net.sourceforge.openbabelJNI.OBMol_Has3D(swigCPtr, this); + return openbabelJNI.OBMol_Has3D(swigCPtr, this); } public boolean HasNonZeroCoords() { - return net.sourceforge.openbabelJNI.OBMol_HasNonZeroCoords(swigCPtr, this); + return openbabelJNI.OBMol_HasNonZeroCoords(swigCPtr, this); } public boolean HasAromaticPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasAromaticPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasAromaticPerceived(swigCPtr, this); } public boolean HasSSSRPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasSSSRPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasSSSRPerceived(swigCPtr, this); } public boolean HasRingAtomsAndBondsPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasRingAtomsAndBondsPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasRingAtomsAndBondsPerceived(swigCPtr, this); } public boolean HasAtomTypesPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasAtomTypesPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasAtomTypesPerceived(swigCPtr, this); } public boolean HasChiralityPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasChiralityPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasChiralityPerceived(swigCPtr, this); } public boolean HasPartialChargesPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasPartialChargesPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasPartialChargesPerceived(swigCPtr, this); } public boolean HasHybridizationPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasHybridizationPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasHybridizationPerceived(swigCPtr, this); } public boolean HasImplicitValencePerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasImplicitValencePerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasImplicitValencePerceived(swigCPtr, this); } public boolean HasKekulePerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasKekulePerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasKekulePerceived(swigCPtr, this); } public boolean HasClosureBondsPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasClosureBondsPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasClosureBondsPerceived(swigCPtr, this); } public boolean HasChainsPerceived() { - return net.sourceforge.openbabelJNI.OBMol_HasChainsPerceived(swigCPtr, this); + return openbabelJNI.OBMol_HasChainsPerceived(swigCPtr, this); } public boolean HasHydrogensAdded() { - return net.sourceforge.openbabelJNI.OBMol_HasHydrogensAdded(swigCPtr, this); + return openbabelJNI.OBMol_HasHydrogensAdded(swigCPtr, this); } public boolean HasAromaticCorrected() { - return net.sourceforge.openbabelJNI.OBMol_HasAromaticCorrected(swigCPtr, this); + return openbabelJNI.OBMol_HasAromaticCorrected(swigCPtr, this); } public boolean IsCorrectedForPH() { - return net.sourceforge.openbabelJNI.OBMol_IsCorrectedForPH(swigCPtr, this); + return openbabelJNI.OBMol_IsCorrectedForPH(swigCPtr, this); } public boolean HasSpinMultiplicityAssigned() { - return net.sourceforge.openbabelJNI.OBMol_HasSpinMultiplicityAssigned(swigCPtr, this); + return openbabelJNI.OBMol_HasSpinMultiplicityAssigned(swigCPtr, this); } public boolean IsChiral() { - return net.sourceforge.openbabelJNI.OBMol_IsChiral(swigCPtr, this); + return openbabelJNI.OBMol_IsChiral(swigCPtr, this); } public boolean Empty() { - return net.sourceforge.openbabelJNI.OBMol_Empty(swigCPtr, this); + return openbabelJNI.OBMol_Empty(swigCPtr, this); } public int NumConformers() { - return net.sourceforge.openbabelJNI.OBMol_NumConformers(swigCPtr, this); + return openbabelJNI.OBMol_NumConformers(swigCPtr, this); } public void SetConformers(SWIGTYPE_p_std__vectorTdouble_p_t v) { - net.sourceforge.openbabelJNI.OBMol_SetConformers(swigCPtr, this, SWIGTYPE_p_std__vectorTdouble_p_t.getCPtr(v)); + openbabelJNI.OBMol_SetConformers(swigCPtr, this, SWIGTYPE_p_std__vectorTdouble_p_t.getCPtr(v)); } public void AddConformer(SWIGTYPE_p_double f) { - net.sourceforge.openbabelJNI.OBMol_AddConformer(swigCPtr, this, SWIGTYPE_p_double.getCPtr(f)); + openbabelJNI.OBMol_AddConformer(swigCPtr, this, SWIGTYPE_p_double.getCPtr(f)); } public void SetConformer(int i) { - net.sourceforge.openbabelJNI.OBMol_SetConformer(swigCPtr, this, i); + openbabelJNI.OBMol_SetConformer(swigCPtr, this, i); } public void CopyConformer(SWIGTYPE_p_double arg0, int arg1) { - net.sourceforge.openbabelJNI.OBMol_CopyConformer(swigCPtr, this, SWIGTYPE_p_double.getCPtr(arg0), arg1); + openbabelJNI.OBMol_CopyConformer(swigCPtr, this, SWIGTYPE_p_double.getCPtr(arg0), arg1); } public void DeleteConformer(int arg0) { - net.sourceforge.openbabelJNI.OBMol_DeleteConformer(swigCPtr, this, arg0); + openbabelJNI.OBMol_DeleteConformer(swigCPtr, this, arg0); } public SWIGTYPE_p_double GetConformer(int i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_GetConformer(swigCPtr, this, i); + long cPtr = openbabelJNI.OBMol_GetConformer(swigCPtr, this, i); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public SWIGTYPE_p_double BeginConformer(SWIGTYPE_p_std__vectorTdouble_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_BeginConformer(swigCPtr, this, SWIGTYPE_p_std__vectorTdouble_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBMol_BeginConformer(swigCPtr, this, SWIGTYPE_p_std__vectorTdouble_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public SWIGTYPE_p_double NextConformer(SWIGTYPE_p_std__vectorTdouble_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_NextConformer(swigCPtr, this, SWIGTYPE_p_std__vectorTdouble_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBMol_NextConformer(swigCPtr, this, SWIGTYPE_p_std__vectorTdouble_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public SWIGTYPE_p_std__vectorTdouble_p_t GetConformers() { - return new SWIGTYPE_p_std__vectorTdouble_p_t(net.sourceforge.openbabelJNI.OBMol_GetConformers(swigCPtr, this), false); + return new SWIGTYPE_p_std__vectorTdouble_p_t(openbabelJNI.OBMol_GetConformers(swigCPtr, this), false); } - public OBAtom BeginAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_BeginAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator.getCPtr(i)); + public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator BeginAtoms() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator(openbabelJNI.OBMol_BeginAtoms(swigCPtr, this), true); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator EndAtoms() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator(openbabelJNI.OBMol_EndAtoms(swigCPtr, this), true); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator BeginBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMol_BeginBonds(swigCPtr, this), true); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator EndBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMol_EndBonds(swigCPtr, this), true); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator BeginResidues() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator(openbabelJNI.OBMol_BeginResidues(swigCPtr, this), true); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator EndResidues() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator(openbabelJNI.OBMol_EndResidues(swigCPtr, this), true); + } + + public OBAtom BeginAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator i) { + long cPtr = openbabelJNI.OBMol_BeginAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBAtom NextAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_NextAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator.getCPtr(i)); + public OBAtom NextAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator i) { + long cPtr = openbabelJNI.OBMol_NextAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMol_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMol_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBResidue BeginResidue(SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_BeginResidue(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBMol_BeginResidue(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } public OBResidue NextResidue(SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_NextResidue(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBMol_NextResidue(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } public SWIGTYPE_p_OpenBabel__OBInternalCoord BeginInternalCoord(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_BeginInternalCoord(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBMol_BeginInternalCoord(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new SWIGTYPE_p_OpenBabel__OBInternalCoord(cPtr, false); } public SWIGTYPE_p_OpenBabel__OBInternalCoord NextInternalCoord(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMol_NextInternalCoord(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBMol_NextInternalCoord(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new SWIGTYPE_p_OpenBabel__OBInternalCoord(cPtr, false); } diff --git a/scripts/java/OBMolAtomBFSIter.java b/scripts/java/OBMolAtomBFSIter.java index 378722904..7a909a164 100644 --- a/scripts/java/OBMolAtomBFSIter.java +++ b/scripts/java/OBMolAtomBFSIter.java @@ -27,646 +27,625 @@ public class OBMolAtomBFSIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBMolAtomBFSIter(swigCPtr); + openbabelJNI.delete_OBMolAtomBFSIter(swigCPtr); } swigCPtr = 0; } public OBMolAtomBFSIter() { - this(net.sourceforge.openbabelJNI.new_OBMolAtomBFSIter__SWIG_0(), true); + this(openbabelJNI.new_OBMolAtomBFSIter__SWIG_0(), true); } public OBMolAtomBFSIter(OBMol mol) { - this(net.sourceforge.openbabelJNI.new_OBMolAtomBFSIter__SWIG_1(OBMol.getCPtr(mol), mol), true); + this(openbabelJNI.new_OBMolAtomBFSIter__SWIG_1(OBMol.getCPtr(mol), mol), true); } public OBMolAtomBFSIter(OBMolAtomBFSIter ai) { - this(net.sourceforge.openbabelJNI.new_OBMolAtomBFSIter__SWIG_3(OBMolAtomBFSIter.getCPtr(ai), ai), true); + this(openbabelJNI.new_OBMolAtomBFSIter__SWIG_3(OBMolAtomBFSIter.getCPtr(ai), ai), true); } public OBAtom __deref__() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter___deref__(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomBFSIter___deref__(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom __ref__() { - return new OBAtom(net.sourceforge.openbabelJNI.OBMolAtomBFSIter___ref__(swigCPtr, this), false); + return new OBAtom(openbabelJNI.OBMolAtomBFSIter___ref__(swigCPtr, this), false); + } + + public void setVisit(boolean value) { + openbabelJNI.OBMolAtomBFSIter_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBMolAtomBFSIter_Visit_get(swigCPtr, this); } public void Clear() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_Clear(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_Clear(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBMolAtomBFSIter_SetIdx(swigCPtr, this, idx); } public void SetHyb(int hyb) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetHyb(swigCPtr, this, hyb); + openbabelJNI.OBMolAtomBFSIter_SetHyb(swigCPtr, this, hyb); } public void SetAtomicNum(int atomicnum) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetAtomicNum(swigCPtr, this, atomicnum); + openbabelJNI.OBMolAtomBFSIter_SetAtomicNum(swigCPtr, this, atomicnum); } public void SetIsotope(long iso) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetIsotope(swigCPtr, this, iso); + openbabelJNI.OBMolAtomBFSIter_SetIsotope(swigCPtr, this, iso); } public void SetImplicitValence(int val) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetImplicitValence(swigCPtr, this, val); + openbabelJNI.OBMolAtomBFSIter_SetImplicitValence(swigCPtr, this, val); } public void IncrementImplicitValence() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IncrementImplicitValence(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_IncrementImplicitValence(swigCPtr, this); } public void DecrementImplicitValence() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DecrementImplicitValence(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_DecrementImplicitValence(swigCPtr, this); } public void SetFormalCharge(int fcharge) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetFormalCharge(swigCPtr, this, fcharge); + openbabelJNI.OBMolAtomBFSIter_SetFormalCharge(swigCPtr, this, fcharge); } public void SetSpinMultiplicity(short spin) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetSpinMultiplicity(swigCPtr, this, spin); + openbabelJNI.OBMolAtomBFSIter_SetSpinMultiplicity(swigCPtr, this, spin); } public void SetType(String type) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetType__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBMolAtomBFSIter_SetType__SWIG_0(swigCPtr, this, type); } public void SetType(SWIGTYPE_p_std__string type) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); + openbabelJNI.OBMolAtomBFSIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); } public void SetPartialCharge(double pcharge) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetPartialCharge(swigCPtr, this, pcharge); + openbabelJNI.OBMolAtomBFSIter_SetPartialCharge(swigCPtr, this, pcharge); } public void SetVector(vector3 v) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); + openbabelJNI.OBMolAtomBFSIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); } public void SetVector(double x, double y, double z) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); + openbabelJNI.OBMolAtomBFSIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); } public void SetVector() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetVector__SWIG_2(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetVector__SWIG_2(swigCPtr, this); } public void SetCoordPtr(SWIGTYPE_p_p_double c) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); + openbabelJNI.OBMolAtomBFSIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); } public void SetResidue(OBResidue res) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + openbabelJNI.OBMolAtomBFSIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBMolAtomBFSIter_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetAromatic(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetAromatic(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_UnsetAromatic(swigCPtr, this); } public void SetClockwiseStereo() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetClockwiseStereo(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetClockwiseStereo(swigCPtr, this); } public void SetAntiClockwiseStereo() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetAntiClockwiseStereo(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetAntiClockwiseStereo(swigCPtr, this); } public void SetPositiveStereo() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetPositiveStereo(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetPositiveStereo(swigCPtr, this); } public void SetNegativeStereo() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetNegativeStereo(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetNegativeStereo(swigCPtr, this); } public void UnsetStereo() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_UnsetStereo(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_UnsetStereo(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetInRing(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetInRing(swigCPtr, this); } public void SetChiral() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetChiral(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_SetChiral(swigCPtr, this); } public void ClearCoordPtr() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_ClearCoordPtr(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_ClearCoordPtr(swigCPtr, this); } public int GetFormalCharge() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetFormalCharge(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetFormalCharge(swigCPtr, this); } public long GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetAtomicNum(swigCPtr, this); } public int GetIsotope() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetIsotope(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetIsotope(swigCPtr, this); } public int GetSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetSpinMultiplicity(swigCPtr, this); } public double GetAtomicMass() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetAtomicMass(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetAtomicMass(swigCPtr, this); } public double GetExactMass() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetExactMass(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetExactMass(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetIdx(swigCPtr, this); } public long GetCoordinateIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetCoordinateIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetCoordinateIdx(swigCPtr, this); } public long GetCIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetCIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetCIdx(swigCPtr, this); } public long GetValence() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetValence(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetValence(swigCPtr, this); } public long GetHyb() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetHyb(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetHyb(swigCPtr, this); } public long GetImplicitValence() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetImplicitValence(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetImplicitValence(swigCPtr, this); } public long GetHvyValence() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetHvyValence(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetHvyValence(swigCPtr, this); } public long GetHeteroValence() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetHeteroValence(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetHeteroValence(swigCPtr, this); } public String GetType() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetType(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetType(swigCPtr, this); } public double GetX() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetX(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetX(swigCPtr, this); } public double x() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_x(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_x(swigCPtr, this); } public double GetY() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetY(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetY(swigCPtr, this); } public double y() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_y(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_y(swigCPtr, this); } public double GetZ() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetZ(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetZ(swigCPtr, this); } public double z() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_z(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_z(swigCPtr, this); } public SWIGTYPE_p_double GetCoordinate() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetCoordinate(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomBFSIter_GetCoordinate(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public vector3 GetVector() { - return new vector3(net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetVector(swigCPtr, this), false); + return new vector3(openbabelJNI.OBMolAtomBFSIter_GetVector(swigCPtr, this), false); } public double GetPartialCharge() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetPartialCharge(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_GetPartialCharge(swigCPtr, this); } public OBResidue GetResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomBFSIter_GetResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBMolAtomBFSIter_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public boolean GetNewBondVector(vector3 v, double length) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); + return openbabelJNI.OBMolAtomBFSIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); } public OBBond GetBond(OBAtom arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBMolAtomBFSIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBAtom GetNextAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetNextAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomBFSIter_GetNextAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator BeginBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomBFSIter_BeginBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator BeginBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMolAtomBFSIter_BeginBonds(swigCPtr, this), true); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator EndBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomBFSIter_EndBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator EndBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMolAtomBFSIter_EndBonds(swigCPtr, this), true); } - public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMolAtomBFSIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMolAtomBFSIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBMolAtomBFSIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBMolAtomBFSIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public double GetDistance(int index) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetDistance__SWIG_0(swigCPtr, this, index); + return openbabelJNI.OBMolAtomBFSIter_GetDistance__SWIG_0(swigCPtr, this, index); } public double GetDistance(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomBFSIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public double GetAngle(int b, int c) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetAngle__SWIG_0(swigCPtr, this, b, c); + return openbabelJNI.OBMolAtomBFSIter_GetAngle__SWIG_0(swigCPtr, this, b, c); } public double GetAngle(OBAtom b, OBAtom c) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); + return openbabelJNI.OBMolAtomBFSIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); } public void NewResidue() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_NewResidue(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_NewResidue(swigCPtr, this); } public void DeleteResidue() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DeleteResidue(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_DeleteResidue(swigCPtr, this); } public void AddBond(OBBond bond) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); + openbabelJNI.OBMolAtomBFSIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); } - public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i, OBBond bond) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); + public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i, OBBond bond) { + openbabelJNI.OBMolAtomBFSIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); } public boolean DeleteBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomBFSIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public void ClearBond() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_ClearBond(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_ClearBond(swigCPtr, this); } public long CountFreeOxygens() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_CountFreeOxygens(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_CountFreeOxygens(swigCPtr, this); } public long ImplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_ImplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_ImplicitHydrogenCount(swigCPtr, this); } public long ExplicitHydrogenCount(boolean ExcludeIsotopes) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); + return openbabelJNI.OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); } public long ExplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); } public long MemberOfRingCount() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_MemberOfRingCount(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_MemberOfRingCount(swigCPtr, this); } public long MemberOfRingSize() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_MemberOfRingSize(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_MemberOfRingSize(swigCPtr, this); } public long CountRingBonds() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_CountRingBonds(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_CountRingBonds(swigCPtr, this); } public double SmallestBondAngle() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SmallestBondAngle(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_SmallestBondAngle(swigCPtr, this); } public double AverageBondAngle() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_AverageBondAngle(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_AverageBondAngle(swigCPtr, this); } public long BOSum() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_BOSum(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_BOSum(swigCPtr, this); } public long KBOSum() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_KBOSum(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_KBOSum(swigCPtr, this); } public boolean HtoMethyl() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HtoMethyl(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HtoMethyl(swigCPtr, this); } public boolean SetHybAndGeom(int arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetHybAndGeom(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomBFSIter_SetHybAndGeom(swigCPtr, this, arg0); } public void ForceNoH() { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_ForceNoH(swigCPtr, this); + openbabelJNI.OBMolAtomBFSIter_ForceNoH(swigCPtr, this); } public boolean HasNoHForced() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasNoHForced(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasNoHForced(swigCPtr, this); } public boolean HasResidue() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasResidue(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasResidue(swigCPtr, this); } public boolean IsHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsHydrogen(swigCPtr, this); } public boolean IsCarbon() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsCarbon(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsCarbon(swigCPtr, this); } public boolean IsNitrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsNitrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsNitrogen(swigCPtr, this); } public boolean IsOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsOxygen(swigCPtr, this); } public boolean IsSulfur() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsSulfur(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsSulfur(swigCPtr, this); } public boolean IsPhosphorus() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsPhosphorus(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsPhosphorus(swigCPtr, this); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsAromatic(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsInRing(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsInRing(swigCPtr, this); } public boolean IsInRingSize(int arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsInRingSize(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomBFSIter_IsInRingSize(swigCPtr, this, arg0); } public boolean IsHeteroatom() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsHeteroatom(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsHeteroatom(swigCPtr, this); } public boolean IsNotCorH() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsNotCorH(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsNotCorH(swigCPtr, this); } public boolean IsConnected(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomBFSIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneThree(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomBFSIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneFour(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomBFSIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsCarboxylOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsCarboxylOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsCarboxylOxygen(swigCPtr, this); } public boolean IsPhosphateOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsPhosphateOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsPhosphateOxygen(swigCPtr, this); } public boolean IsSulfateOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsSulfateOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsSulfateOxygen(swigCPtr, this); } public boolean IsNitroOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsNitroOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsNitroOxygen(swigCPtr, this); } public boolean IsAmideNitrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsAmideNitrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsAmideNitrogen(swigCPtr, this); } public boolean IsPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsPolarHydrogen(swigCPtr, this); } public boolean IsNonPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsNonPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsNonPolarHydrogen(swigCPtr, this); } public boolean IsAromaticNOxide() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsAromaticNOxide(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsAromaticNOxide(swigCPtr, this); } public boolean IsChiral() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsChiral(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsChiral(swigCPtr, this); } public boolean IsAxial() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsAxial(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsAxial(swigCPtr, this); } public boolean IsClockwise() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsClockwise(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsClockwise(swigCPtr, this); } public boolean IsAntiClockwise() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsAntiClockwise(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsAntiClockwise(swigCPtr, this); } public boolean IsPositiveStereo() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsPositiveStereo(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsPositiveStereo(swigCPtr, this); } public boolean IsNegativeStereo() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsNegativeStereo(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsNegativeStereo(swigCPtr, this); } public boolean HasChiralitySpecified() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasChiralitySpecified(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasChiralitySpecified(swigCPtr, this); } public boolean HasChiralVolume() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasChiralVolume(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasChiralVolume(swigCPtr, this); } public boolean IsHbondAcceptor() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsHbondAcceptor(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsHbondAcceptor(swigCPtr, this); } public boolean IsHbondDonor() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsHbondDonor(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsHbondDonor(swigCPtr, this); } public boolean IsHbondDonorH() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_IsHbondDonorH(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_IsHbondDonorH(swigCPtr, this); } public boolean HasAlphaBetaUnsat(boolean includePandS) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); + return openbabelJNI.OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); } public boolean HasAlphaBetaUnsat() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); } public boolean HasBondOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasBondOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomBFSIter_HasBondOfOrder(swigCPtr, this, arg0); } public int CountBondsOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_CountBondsOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomBFSIter_CountBondsOfOrder(swigCPtr, this, arg0); } public boolean HasNonSingleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasNonSingleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasNonSingleBond(swigCPtr, this); } public boolean HasSingleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasSingleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasSingleBond(swigCPtr, this); } public boolean HasDoubleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasDoubleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasDoubleBond(swigCPtr, this); } public boolean HasAromaticBond() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasAromaticBond(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_HasAromaticBond(swigCPtr, this); } public boolean MatchesSMARTS(String arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_MatchesSMARTS(swigCPtr, this, arg0); - } - - public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_Visit_set(swigCPtr, this, value); - } - - public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_Visit_get(swigCPtr, this); - } - - public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetParent(swigCPtr, this); - return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); - } - - public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); - } - - public void AddEdge(OBEdgeBase b) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_AddEdge(swigCPtr, this, OBEdgeBase.getCPtr(b), b); - } - - public void Error(int f) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_Error(swigCPtr, this, f); - } - - public void SetMatch(OBNodeBase arg0) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetMatch(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public boolean Eval(OBNodeBase arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_Eval(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public OBNodeBase GetMatch() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetMatch(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); + return openbabelJNI.OBMolAtomBFSIter_MatchesSMARTS(swigCPtr, this, arg0); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBMolAtomBFSIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBMolAtomBFSIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBMolAtomBFSIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBMolAtomBFSIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBMolAtomBFSIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBMolAtomBFSIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBMolAtomBFSIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBMolAtomBFSIter_DataSize(swigCPtr, this); + return openbabelJNI.OBMolAtomBFSIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBMolAtomBFSIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBMolAtomBFSIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBMolAtomBFSIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomBFSIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolAtomBFSIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomBFSIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolAtomBFSIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBMolAtomDFSIter.java b/scripts/java/OBMolAtomDFSIter.java index 7c1b0ccf9..7b340f097 100644 --- a/scripts/java/OBMolAtomDFSIter.java +++ b/scripts/java/OBMolAtomDFSIter.java @@ -27,646 +27,625 @@ public class OBMolAtomDFSIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBMolAtomDFSIter(swigCPtr); + openbabelJNI.delete_OBMolAtomDFSIter(swigCPtr); } swigCPtr = 0; } public OBMolAtomDFSIter() { - this(net.sourceforge.openbabelJNI.new_OBMolAtomDFSIter__SWIG_0(), true); + this(openbabelJNI.new_OBMolAtomDFSIter__SWIG_0(), true); } public OBMolAtomDFSIter(OBMol mol) { - this(net.sourceforge.openbabelJNI.new_OBMolAtomDFSIter__SWIG_1(OBMol.getCPtr(mol), mol), true); + this(openbabelJNI.new_OBMolAtomDFSIter__SWIG_1(OBMol.getCPtr(mol), mol), true); } public OBMolAtomDFSIter(OBMolAtomDFSIter ai) { - this(net.sourceforge.openbabelJNI.new_OBMolAtomDFSIter__SWIG_3(OBMolAtomDFSIter.getCPtr(ai), ai), true); + this(openbabelJNI.new_OBMolAtomDFSIter__SWIG_3(OBMolAtomDFSIter.getCPtr(ai), ai), true); } public OBAtom __deref__() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter___deref__(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomDFSIter___deref__(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom __ref__() { - return new OBAtom(net.sourceforge.openbabelJNI.OBMolAtomDFSIter___ref__(swigCPtr, this), false); + return new OBAtom(openbabelJNI.OBMolAtomDFSIter___ref__(swigCPtr, this), false); + } + + public void setVisit(boolean value) { + openbabelJNI.OBMolAtomDFSIter_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBMolAtomDFSIter_Visit_get(swigCPtr, this); } public void Clear() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Clear(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_Clear(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBMolAtomDFSIter_SetIdx(swigCPtr, this, idx); } public void SetHyb(int hyb) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetHyb(swigCPtr, this, hyb); + openbabelJNI.OBMolAtomDFSIter_SetHyb(swigCPtr, this, hyb); } public void SetAtomicNum(int atomicnum) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetAtomicNum(swigCPtr, this, atomicnum); + openbabelJNI.OBMolAtomDFSIter_SetAtomicNum(swigCPtr, this, atomicnum); } public void SetIsotope(long iso) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetIsotope(swigCPtr, this, iso); + openbabelJNI.OBMolAtomDFSIter_SetIsotope(swigCPtr, this, iso); } public void SetImplicitValence(int val) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetImplicitValence(swigCPtr, this, val); + openbabelJNI.OBMolAtomDFSIter_SetImplicitValence(swigCPtr, this, val); } public void IncrementImplicitValence() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IncrementImplicitValence(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_IncrementImplicitValence(swigCPtr, this); } public void DecrementImplicitValence() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DecrementImplicitValence(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_DecrementImplicitValence(swigCPtr, this); } public void SetFormalCharge(int fcharge) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetFormalCharge(swigCPtr, this, fcharge); + openbabelJNI.OBMolAtomDFSIter_SetFormalCharge(swigCPtr, this, fcharge); } public void SetSpinMultiplicity(short spin) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetSpinMultiplicity(swigCPtr, this, spin); + openbabelJNI.OBMolAtomDFSIter_SetSpinMultiplicity(swigCPtr, this, spin); } public void SetType(String type) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetType__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBMolAtomDFSIter_SetType__SWIG_0(swigCPtr, this, type); } public void SetType(SWIGTYPE_p_std__string type) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); + openbabelJNI.OBMolAtomDFSIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); } public void SetPartialCharge(double pcharge) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetPartialCharge(swigCPtr, this, pcharge); + openbabelJNI.OBMolAtomDFSIter_SetPartialCharge(swigCPtr, this, pcharge); } public void SetVector(vector3 v) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); + openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); } public void SetVector(double x, double y, double z) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); + openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); } public void SetVector() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_2(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_2(swigCPtr, this); } public void SetCoordPtr(SWIGTYPE_p_p_double c) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); + openbabelJNI.OBMolAtomDFSIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); } public void SetResidue(OBResidue res) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + openbabelJNI.OBMolAtomDFSIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBMolAtomDFSIter_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetAromatic(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetAromatic(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_UnsetAromatic(swigCPtr, this); } public void SetClockwiseStereo() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetClockwiseStereo(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetClockwiseStereo(swigCPtr, this); } public void SetAntiClockwiseStereo() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetAntiClockwiseStereo(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetAntiClockwiseStereo(swigCPtr, this); } public void SetPositiveStereo() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetPositiveStereo(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetPositiveStereo(swigCPtr, this); } public void SetNegativeStereo() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetNegativeStereo(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetNegativeStereo(swigCPtr, this); } public void UnsetStereo() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_UnsetStereo(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_UnsetStereo(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetInRing(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetInRing(swigCPtr, this); } public void SetChiral() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetChiral(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_SetChiral(swigCPtr, this); } public void ClearCoordPtr() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ClearCoordPtr(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_ClearCoordPtr(swigCPtr, this); } public int GetFormalCharge() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetFormalCharge(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetFormalCharge(swigCPtr, this); } public long GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetAtomicNum(swigCPtr, this); } public int GetIsotope() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetIsotope(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetIsotope(swigCPtr, this); } public int GetSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetSpinMultiplicity(swigCPtr, this); } public double GetAtomicMass() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAtomicMass(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetAtomicMass(swigCPtr, this); } public double GetExactMass() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetExactMass(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetExactMass(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetIdx(swigCPtr, this); } public long GetCoordinateIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetCoordinateIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetCoordinateIdx(swigCPtr, this); } public long GetCIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetCIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetCIdx(swigCPtr, this); } public long GetValence() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetValence(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetValence(swigCPtr, this); } public long GetHyb() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetHyb(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetHyb(swigCPtr, this); } public long GetImplicitValence() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetImplicitValence(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetImplicitValence(swigCPtr, this); } public long GetHvyValence() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetHvyValence(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetHvyValence(swigCPtr, this); } public long GetHeteroValence() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetHeteroValence(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetHeteroValence(swigCPtr, this); } public String GetType() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetType(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetType(swigCPtr, this); } public double GetX() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetX(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetX(swigCPtr, this); } public double x() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_x(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_x(swigCPtr, this); } public double GetY() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetY(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetY(swigCPtr, this); } public double y() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_y(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_y(swigCPtr, this); } public double GetZ() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetZ(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetZ(swigCPtr, this); } public double z() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_z(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_z(swigCPtr, this); } public SWIGTYPE_p_double GetCoordinate() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetCoordinate(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomDFSIter_GetCoordinate(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public vector3 GetVector() { - return new vector3(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetVector(swigCPtr, this), false); + return new vector3(openbabelJNI.OBMolAtomDFSIter_GetVector(swigCPtr, this), false); } public double GetPartialCharge() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetPartialCharge(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_GetPartialCharge(swigCPtr, this); } public OBResidue GetResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomDFSIter_GetResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBMolAtomDFSIter_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public boolean GetNewBondVector(vector3 v, double length) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); + return openbabelJNI.OBMolAtomDFSIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); } public OBBond GetBond(OBAtom arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBMolAtomDFSIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBAtom GetNextAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetNextAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomDFSIter_GetNextAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator BeginBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BeginBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator BeginBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMolAtomDFSIter_BeginBonds(swigCPtr, this), true); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator EndBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_EndBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator EndBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMolAtomDFSIter_EndBonds(swigCPtr, this), true); } - public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMolAtomDFSIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMolAtomDFSIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBMolAtomDFSIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBMolAtomDFSIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public double GetDistance(int index) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetDistance__SWIG_0(swigCPtr, this, index); + return openbabelJNI.OBMolAtomDFSIter_GetDistance__SWIG_0(swigCPtr, this, index); } public double GetDistance(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomDFSIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public double GetAngle(int b, int c) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAngle__SWIG_0(swigCPtr, this, b, c); + return openbabelJNI.OBMolAtomDFSIter_GetAngle__SWIG_0(swigCPtr, this, b, c); } public double GetAngle(OBAtom b, OBAtom c) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); + return openbabelJNI.OBMolAtomDFSIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); } public void NewResidue() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_NewResidue(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_NewResidue(swigCPtr, this); } public void DeleteResidue() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteResidue(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_DeleteResidue(swigCPtr, this); } public void AddBond(OBBond bond) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); + openbabelJNI.OBMolAtomDFSIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); } - public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i, OBBond bond) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); + public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i, OBBond bond) { + openbabelJNI.OBMolAtomDFSIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); } public boolean DeleteBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomDFSIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public void ClearBond() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ClearBond(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_ClearBond(swigCPtr, this); } public long CountFreeOxygens() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_CountFreeOxygens(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_CountFreeOxygens(swigCPtr, this); } public long ImplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ImplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_ImplicitHydrogenCount(swigCPtr, this); } public long ExplicitHydrogenCount(boolean ExcludeIsotopes) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); + return openbabelJNI.OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); } public long ExplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); } public long MemberOfRingCount() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_MemberOfRingCount(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_MemberOfRingCount(swigCPtr, this); } public long MemberOfRingSize() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_MemberOfRingSize(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_MemberOfRingSize(swigCPtr, this); } public long CountRingBonds() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_CountRingBonds(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_CountRingBonds(swigCPtr, this); } public double SmallestBondAngle() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SmallestBondAngle(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_SmallestBondAngle(swigCPtr, this); } public double AverageBondAngle() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_AverageBondAngle(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_AverageBondAngle(swigCPtr, this); } public long BOSum() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BOSum(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_BOSum(swigCPtr, this); } public long KBOSum() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_KBOSum(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_KBOSum(swigCPtr, this); } public boolean HtoMethyl() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HtoMethyl(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HtoMethyl(swigCPtr, this); } public boolean SetHybAndGeom(int arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetHybAndGeom(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomDFSIter_SetHybAndGeom(swigCPtr, this, arg0); } public void ForceNoH() { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ForceNoH(swigCPtr, this); + openbabelJNI.OBMolAtomDFSIter_ForceNoH(swigCPtr, this); } public boolean HasNoHForced() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasNoHForced(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasNoHForced(swigCPtr, this); } public boolean HasResidue() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasResidue(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasResidue(swigCPtr, this); } public boolean IsHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsHydrogen(swigCPtr, this); } public boolean IsCarbon() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsCarbon(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsCarbon(swigCPtr, this); } public boolean IsNitrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNitrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsNitrogen(swigCPtr, this); } public boolean IsOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsOxygen(swigCPtr, this); } public boolean IsSulfur() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsSulfur(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsSulfur(swigCPtr, this); } public boolean IsPhosphorus() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPhosphorus(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsPhosphorus(swigCPtr, this); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAromatic(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsInRing(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsInRing(swigCPtr, this); } public boolean IsInRingSize(int arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsInRingSize(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomDFSIter_IsInRingSize(swigCPtr, this, arg0); } public boolean IsHeteroatom() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHeteroatom(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsHeteroatom(swigCPtr, this); } public boolean IsNotCorH() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNotCorH(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsNotCorH(swigCPtr, this); } public boolean IsConnected(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomDFSIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneThree(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomDFSIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneFour(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomDFSIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsCarboxylOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsCarboxylOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsCarboxylOxygen(swigCPtr, this); } public boolean IsPhosphateOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPhosphateOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsPhosphateOxygen(swigCPtr, this); } public boolean IsSulfateOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsSulfateOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsSulfateOxygen(swigCPtr, this); } public boolean IsNitroOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNitroOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsNitroOxygen(swigCPtr, this); } public boolean IsAmideNitrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAmideNitrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsAmideNitrogen(swigCPtr, this); } public boolean IsPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsPolarHydrogen(swigCPtr, this); } public boolean IsNonPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNonPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsNonPolarHydrogen(swigCPtr, this); } public boolean IsAromaticNOxide() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAromaticNOxide(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsAromaticNOxide(swigCPtr, this); } public boolean IsChiral() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsChiral(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsChiral(swigCPtr, this); } public boolean IsAxial() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAxial(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsAxial(swigCPtr, this); } public boolean IsClockwise() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsClockwise(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsClockwise(swigCPtr, this); } public boolean IsAntiClockwise() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAntiClockwise(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsAntiClockwise(swigCPtr, this); } public boolean IsPositiveStereo() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPositiveStereo(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsPositiveStereo(swigCPtr, this); } public boolean IsNegativeStereo() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNegativeStereo(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsNegativeStereo(swigCPtr, this); } public boolean HasChiralitySpecified() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasChiralitySpecified(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasChiralitySpecified(swigCPtr, this); } public boolean HasChiralVolume() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasChiralVolume(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasChiralVolume(swigCPtr, this); } public boolean IsHbondAcceptor() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHbondAcceptor(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsHbondAcceptor(swigCPtr, this); } public boolean IsHbondDonor() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHbondDonor(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsHbondDonor(swigCPtr, this); } public boolean IsHbondDonorH() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHbondDonorH(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_IsHbondDonorH(swigCPtr, this); } public boolean HasAlphaBetaUnsat(boolean includePandS) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); + return openbabelJNI.OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); } public boolean HasAlphaBetaUnsat() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); } public boolean HasBondOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasBondOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomDFSIter_HasBondOfOrder(swigCPtr, this, arg0); } public int CountBondsOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_CountBondsOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomDFSIter_CountBondsOfOrder(swigCPtr, this, arg0); } public boolean HasNonSingleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasNonSingleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasNonSingleBond(swigCPtr, this); } public boolean HasSingleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasSingleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasSingleBond(swigCPtr, this); } public boolean HasDoubleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasDoubleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasDoubleBond(swigCPtr, this); } public boolean HasAromaticBond() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasAromaticBond(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_HasAromaticBond(swigCPtr, this); } public boolean MatchesSMARTS(String arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_MatchesSMARTS(swigCPtr, this, arg0); - } - - public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Visit_set(swigCPtr, this, value); - } - - public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Visit_get(swigCPtr, this); - } - - public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetParent(swigCPtr, this); - return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); - } - - public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); - } - - public void AddEdge(OBEdgeBase b) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_AddEdge(swigCPtr, this, OBEdgeBase.getCPtr(b), b); - } - - public void Error(int f) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Error(swigCPtr, this, f); - } - - public void SetMatch(OBNodeBase arg0) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetMatch(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public boolean Eval(OBNodeBase arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Eval(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public OBNodeBase GetMatch() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetMatch(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); + return openbabelJNI.OBMolAtomDFSIter_MatchesSMARTS(swigCPtr, this, arg0); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBMolAtomDFSIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBMolAtomDFSIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBMolAtomDFSIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DataSize(swigCPtr, this); + return openbabelJNI.OBMolAtomDFSIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBMolAtomDFSIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBMolAtomDFSIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolAtomDFSIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolAtomDFSIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBMolAtomIter.java b/scripts/java/OBMolAtomIter.java index 4b6aadf7c..1bba627dc 100644 --- a/scripts/java/OBMolAtomIter.java +++ b/scripts/java/OBMolAtomIter.java @@ -27,654 +27,633 @@ public class OBMolAtomIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBMolAtomIter(swigCPtr); + openbabelJNI.delete_OBMolAtomIter(swigCPtr); } swigCPtr = 0; } public OBMolAtomIter() { - this(net.sourceforge.openbabelJNI.new_OBMolAtomIter__SWIG_0(), true); + this(openbabelJNI.new_OBMolAtomIter__SWIG_0(), true); } public OBMolAtomIter(OBMol mol) { - this(net.sourceforge.openbabelJNI.new_OBMolAtomIter__SWIG_1(OBMol.getCPtr(mol), mol), true); + this(openbabelJNI.new_OBMolAtomIter__SWIG_1(OBMol.getCPtr(mol), mol), true); } public OBMolAtomIter(OBMolAtomIter ai) { - this(net.sourceforge.openbabelJNI.new_OBMolAtomIter__SWIG_3(OBMolAtomIter.getCPtr(ai), ai), true); + this(openbabelJNI.new_OBMolAtomIter__SWIG_3(OBMolAtomIter.getCPtr(ai), ai), true); } public boolean good() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_good(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_good(swigCPtr, this); } public OBMolAtomIter inc(int arg0) { - return new OBMolAtomIter(net.sourceforge.openbabelJNI.OBMolAtomIter_inc(swigCPtr, this, arg0), true); + return new OBMolAtomIter(openbabelJNI.OBMolAtomIter_inc(swigCPtr, this, arg0), true); } public OBAtom deref() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_deref(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomIter_deref(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom __ref__() { - return new OBAtom(net.sourceforge.openbabelJNI.OBMolAtomIter___ref__(swigCPtr, this), false); + return new OBAtom(openbabelJNI.OBMolAtomIter___ref__(swigCPtr, this), false); + } + + public void setVisit(boolean value) { + openbabelJNI.OBMolAtomIter_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBMolAtomIter_Visit_get(swigCPtr, this); } public void Clear() { - net.sourceforge.openbabelJNI.OBMolAtomIter_Clear(swigCPtr, this); + openbabelJNI.OBMolAtomIter_Clear(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBMolAtomIter_SetIdx(swigCPtr, this, idx); } public void SetHyb(int hyb) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetHyb(swigCPtr, this, hyb); + openbabelJNI.OBMolAtomIter_SetHyb(swigCPtr, this, hyb); } public void SetAtomicNum(int atomicnum) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetAtomicNum(swigCPtr, this, atomicnum); + openbabelJNI.OBMolAtomIter_SetAtomicNum(swigCPtr, this, atomicnum); } public void SetIsotope(long iso) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetIsotope(swigCPtr, this, iso); + openbabelJNI.OBMolAtomIter_SetIsotope(swigCPtr, this, iso); } public void SetImplicitValence(int val) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetImplicitValence(swigCPtr, this, val); + openbabelJNI.OBMolAtomIter_SetImplicitValence(swigCPtr, this, val); } public void IncrementImplicitValence() { - net.sourceforge.openbabelJNI.OBMolAtomIter_IncrementImplicitValence(swigCPtr, this); + openbabelJNI.OBMolAtomIter_IncrementImplicitValence(swigCPtr, this); } public void DecrementImplicitValence() { - net.sourceforge.openbabelJNI.OBMolAtomIter_DecrementImplicitValence(swigCPtr, this); + openbabelJNI.OBMolAtomIter_DecrementImplicitValence(swigCPtr, this); } public void SetFormalCharge(int fcharge) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetFormalCharge(swigCPtr, this, fcharge); + openbabelJNI.OBMolAtomIter_SetFormalCharge(swigCPtr, this, fcharge); } public void SetSpinMultiplicity(short spin) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetSpinMultiplicity(swigCPtr, this, spin); + openbabelJNI.OBMolAtomIter_SetSpinMultiplicity(swigCPtr, this, spin); } public void SetType(String type) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetType__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBMolAtomIter_SetType__SWIG_0(swigCPtr, this, type); } public void SetType(SWIGTYPE_p_std__string type) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); + openbabelJNI.OBMolAtomIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); } public void SetPartialCharge(double pcharge) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetPartialCharge(swigCPtr, this, pcharge); + openbabelJNI.OBMolAtomIter_SetPartialCharge(swigCPtr, this, pcharge); } public void SetVector(vector3 v) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); + openbabelJNI.OBMolAtomIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); } public void SetVector(double x, double y, double z) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); + openbabelJNI.OBMolAtomIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); } public void SetVector() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetVector__SWIG_2(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetVector__SWIG_2(swigCPtr, this); } public void SetCoordPtr(SWIGTYPE_p_p_double c) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); + openbabelJNI.OBMolAtomIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); } public void SetResidue(OBResidue res) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + openbabelJNI.OBMolAtomIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBMolAtomIter_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetAromatic(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetAromatic(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBMolAtomIter_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBMolAtomIter_UnsetAromatic(swigCPtr, this); } public void SetClockwiseStereo() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetClockwiseStereo(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetClockwiseStereo(swigCPtr, this); } public void SetAntiClockwiseStereo() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetAntiClockwiseStereo(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetAntiClockwiseStereo(swigCPtr, this); } public void SetPositiveStereo() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetPositiveStereo(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetPositiveStereo(swigCPtr, this); } public void SetNegativeStereo() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetNegativeStereo(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetNegativeStereo(swigCPtr, this); } public void UnsetStereo() { - net.sourceforge.openbabelJNI.OBMolAtomIter_UnsetStereo(swigCPtr, this); + openbabelJNI.OBMolAtomIter_UnsetStereo(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetInRing(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetInRing(swigCPtr, this); } public void SetChiral() { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetChiral(swigCPtr, this); + openbabelJNI.OBMolAtomIter_SetChiral(swigCPtr, this); } public void ClearCoordPtr() { - net.sourceforge.openbabelJNI.OBMolAtomIter_ClearCoordPtr(swigCPtr, this); + openbabelJNI.OBMolAtomIter_ClearCoordPtr(swigCPtr, this); } public int GetFormalCharge() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetFormalCharge(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetFormalCharge(swigCPtr, this); } public long GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetAtomicNum(swigCPtr, this); } public int GetIsotope() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetIsotope(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetIsotope(swigCPtr, this); } public int GetSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetSpinMultiplicity(swigCPtr, this); } public double GetAtomicMass() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetAtomicMass(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetAtomicMass(swigCPtr, this); } public double GetExactMass() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetExactMass(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetExactMass(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetIdx(swigCPtr, this); } public long GetCoordinateIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetCoordinateIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetCoordinateIdx(swigCPtr, this); } public long GetCIdx() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetCIdx(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetCIdx(swigCPtr, this); } public long GetValence() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetValence(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetValence(swigCPtr, this); } public long GetHyb() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetHyb(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetHyb(swigCPtr, this); } public long GetImplicitValence() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetImplicitValence(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetImplicitValence(swigCPtr, this); } public long GetHvyValence() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetHvyValence(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetHvyValence(swigCPtr, this); } public long GetHeteroValence() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetHeteroValence(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetHeteroValence(swigCPtr, this); } public String GetType() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetType(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetType(swigCPtr, this); } public double GetX() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetX(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetX(swigCPtr, this); } public double x() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_x(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_x(swigCPtr, this); } public double GetY() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetY(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetY(swigCPtr, this); } public double y() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_y(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_y(swigCPtr, this); } public double GetZ() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetZ(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetZ(swigCPtr, this); } public double z() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_z(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_z(swigCPtr, this); } public SWIGTYPE_p_double GetCoordinate() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_GetCoordinate(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomIter_GetCoordinate(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public vector3 GetVector() { - return new vector3(net.sourceforge.openbabelJNI.OBMolAtomIter_GetVector(swigCPtr, this), false); + return new vector3(openbabelJNI.OBMolAtomIter_GetVector(swigCPtr, this), false); } public double GetPartialCharge() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetPartialCharge(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_GetPartialCharge(swigCPtr, this); } public OBResidue GetResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_GetResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomIter_GetResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBMolAtomIter_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public boolean GetNewBondVector(vector3 v, double length) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); + return openbabelJNI.OBMolAtomIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); } public OBBond GetBond(OBAtom arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBMolAtomIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBAtom GetNextAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_GetNextAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMolAtomIter_GetNextAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator BeginBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomIter_BeginBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator BeginBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMolAtomIter_BeginBonds(swigCPtr, this), true); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator EndBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomIter_EndBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator EndBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBMolAtomIter_EndBonds(swigCPtr, this), true); } - public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMolAtomIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBMolAtomIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBMolAtomIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBMolAtomIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public double GetDistance(int index) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetDistance__SWIG_0(swigCPtr, this, index); + return openbabelJNI.OBMolAtomIter_GetDistance__SWIG_0(swigCPtr, this, index); } public double GetDistance(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public double GetAngle(int b, int c) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetAngle__SWIG_0(swigCPtr, this, b, c); + return openbabelJNI.OBMolAtomIter_GetAngle__SWIG_0(swigCPtr, this, b, c); } public double GetAngle(OBAtom b, OBAtom c) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); + return openbabelJNI.OBMolAtomIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); } public void NewResidue() { - net.sourceforge.openbabelJNI.OBMolAtomIter_NewResidue(swigCPtr, this); + openbabelJNI.OBMolAtomIter_NewResidue(swigCPtr, this); } public void DeleteResidue() { - net.sourceforge.openbabelJNI.OBMolAtomIter_DeleteResidue(swigCPtr, this); + openbabelJNI.OBMolAtomIter_DeleteResidue(swigCPtr, this); } public void AddBond(OBBond bond) { - net.sourceforge.openbabelJNI.OBMolAtomIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); + openbabelJNI.OBMolAtomIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); } - public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i, OBBond bond) { - net.sourceforge.openbabelJNI.OBMolAtomIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); + public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i, OBBond bond) { + openbabelJNI.OBMolAtomIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); } public boolean DeleteBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public void ClearBond() { - net.sourceforge.openbabelJNI.OBMolAtomIter_ClearBond(swigCPtr, this); + openbabelJNI.OBMolAtomIter_ClearBond(swigCPtr, this); } public long CountFreeOxygens() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_CountFreeOxygens(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_CountFreeOxygens(swigCPtr, this); } public long ImplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_ImplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_ImplicitHydrogenCount(swigCPtr, this); } public long ExplicitHydrogenCount(boolean ExcludeIsotopes) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); + return openbabelJNI.OBMolAtomIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); } public long ExplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); } public long MemberOfRingCount() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_MemberOfRingCount(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_MemberOfRingCount(swigCPtr, this); } public long MemberOfRingSize() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_MemberOfRingSize(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_MemberOfRingSize(swigCPtr, this); } public long CountRingBonds() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_CountRingBonds(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_CountRingBonds(swigCPtr, this); } public double SmallestBondAngle() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_SmallestBondAngle(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_SmallestBondAngle(swigCPtr, this); } public double AverageBondAngle() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_AverageBondAngle(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_AverageBondAngle(swigCPtr, this); } public long BOSum() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_BOSum(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_BOSum(swigCPtr, this); } public long KBOSum() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_KBOSum(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_KBOSum(swigCPtr, this); } public boolean HtoMethyl() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HtoMethyl(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HtoMethyl(swigCPtr, this); } public boolean SetHybAndGeom(int arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_SetHybAndGeom(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomIter_SetHybAndGeom(swigCPtr, this, arg0); } public void ForceNoH() { - net.sourceforge.openbabelJNI.OBMolAtomIter_ForceNoH(swigCPtr, this); + openbabelJNI.OBMolAtomIter_ForceNoH(swigCPtr, this); } public boolean HasNoHForced() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasNoHForced(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasNoHForced(swigCPtr, this); } public boolean HasResidue() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasResidue(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasResidue(swigCPtr, this); } public boolean IsHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsHydrogen(swigCPtr, this); } public boolean IsCarbon() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsCarbon(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsCarbon(swigCPtr, this); } public boolean IsNitrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsNitrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsNitrogen(swigCPtr, this); } public boolean IsOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsOxygen(swigCPtr, this); } public boolean IsSulfur() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsSulfur(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsSulfur(swigCPtr, this); } public boolean IsPhosphorus() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsPhosphorus(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsPhosphorus(swigCPtr, this); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsAromatic(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsInRing(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsInRing(swigCPtr, this); } public boolean IsInRingSize(int arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsInRingSize(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomIter_IsInRingSize(swigCPtr, this, arg0); } public boolean IsHeteroatom() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsHeteroatom(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsHeteroatom(swigCPtr, this); } public boolean IsNotCorH() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsNotCorH(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsNotCorH(swigCPtr, this); } public boolean IsConnected(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneThree(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneFour(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBMolAtomIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsCarboxylOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsCarboxylOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsCarboxylOxygen(swigCPtr, this); } public boolean IsPhosphateOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsPhosphateOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsPhosphateOxygen(swigCPtr, this); } public boolean IsSulfateOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsSulfateOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsSulfateOxygen(swigCPtr, this); } public boolean IsNitroOxygen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsNitroOxygen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsNitroOxygen(swigCPtr, this); } public boolean IsAmideNitrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsAmideNitrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsAmideNitrogen(swigCPtr, this); } public boolean IsPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsPolarHydrogen(swigCPtr, this); } public boolean IsNonPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsNonPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsNonPolarHydrogen(swigCPtr, this); } public boolean IsAromaticNOxide() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsAromaticNOxide(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsAromaticNOxide(swigCPtr, this); } public boolean IsChiral() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsChiral(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsChiral(swigCPtr, this); } public boolean IsAxial() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsAxial(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsAxial(swigCPtr, this); } public boolean IsClockwise() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsClockwise(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsClockwise(swigCPtr, this); } public boolean IsAntiClockwise() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsAntiClockwise(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsAntiClockwise(swigCPtr, this); } public boolean IsPositiveStereo() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsPositiveStereo(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsPositiveStereo(swigCPtr, this); } public boolean IsNegativeStereo() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsNegativeStereo(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsNegativeStereo(swigCPtr, this); } public boolean HasChiralitySpecified() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasChiralitySpecified(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasChiralitySpecified(swigCPtr, this); } public boolean HasChiralVolume() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasChiralVolume(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasChiralVolume(swigCPtr, this); } public boolean IsHbondAcceptor() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsHbondAcceptor(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsHbondAcceptor(swigCPtr, this); } public boolean IsHbondDonor() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsHbondDonor(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsHbondDonor(swigCPtr, this); } public boolean IsHbondDonorH() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_IsHbondDonorH(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_IsHbondDonorH(swigCPtr, this); } public boolean HasAlphaBetaUnsat(boolean includePandS) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); + return openbabelJNI.OBMolAtomIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); } public boolean HasAlphaBetaUnsat() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); } public boolean HasBondOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasBondOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomIter_HasBondOfOrder(swigCPtr, this, arg0); } public int CountBondsOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_CountBondsOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBMolAtomIter_CountBondsOfOrder(swigCPtr, this, arg0); } public boolean HasNonSingleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasNonSingleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasNonSingleBond(swigCPtr, this); } public boolean HasSingleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasSingleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasSingleBond(swigCPtr, this); } public boolean HasDoubleBond() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasDoubleBond(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasDoubleBond(swigCPtr, this); } public boolean HasAromaticBond() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasAromaticBond(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_HasAromaticBond(swigCPtr, this); } public boolean MatchesSMARTS(String arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_MatchesSMARTS(swigCPtr, this, arg0); - } - - public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBMolAtomIter_Visit_set(swigCPtr, this, value); - } - - public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_Visit_get(swigCPtr, this); - } - - public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_GetParent(swigCPtr, this); - return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); - } - - public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); - } - - public void AddEdge(OBEdgeBase b) { - net.sourceforge.openbabelJNI.OBMolAtomIter_AddEdge(swigCPtr, this, OBEdgeBase.getCPtr(b), b); - } - - public void Error(int f) { - net.sourceforge.openbabelJNI.OBMolAtomIter_Error(swigCPtr, this, f); - } - - public void SetMatch(OBNodeBase arg0) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetMatch(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public boolean Eval(OBNodeBase arg0) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_Eval(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public OBNodeBase GetMatch() { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_GetMatch(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); + return openbabelJNI.OBMolAtomIter_MatchesSMARTS(swigCPtr, this, arg0); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBMolAtomIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBMolAtomIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBMolAtomIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBMolAtomIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBMolAtomIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBMolAtomIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBMolAtomIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBMolAtomIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBMolAtomIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBMolAtomIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBMolAtomIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBMolAtomIter_DataSize(swigCPtr, this); + return openbabelJNI.OBMolAtomIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBMolAtomIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBMolAtomIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBMolAtomIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBMolAtomIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolAtomIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolAtomIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBMolBondIter.java b/scripts/java/OBMolBondIter.java index 6e0909c1f..8363524f4 100644 --- a/scripts/java/OBMolBondIter.java +++ b/scripts/java/OBMolBondIter.java @@ -27,350 +27,324 @@ public class OBMolBondIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBMolBondIter(swigCPtr); + openbabelJNI.delete_OBMolBondIter(swigCPtr); } swigCPtr = 0; } public OBMolBondIter() { - this(net.sourceforge.openbabelJNI.new_OBMolBondIter__SWIG_0(), true); + this(openbabelJNI.new_OBMolBondIter__SWIG_0(), true); } public OBMolBondIter(OBMol mol) { - this(net.sourceforge.openbabelJNI.new_OBMolBondIter__SWIG_1(OBMol.getCPtr(mol), mol), true); + this(openbabelJNI.new_OBMolBondIter__SWIG_1(OBMol.getCPtr(mol), mol), true); } public OBMolBondIter(OBMolBondIter bi) { - this(net.sourceforge.openbabelJNI.new_OBMolBondIter__SWIG_3(OBMolBondIter.getCPtr(bi), bi), true); + this(openbabelJNI.new_OBMolBondIter__SWIG_3(OBMolBondIter.getCPtr(bi), bi), true); } public boolean good() { - return net.sourceforge.openbabelJNI.OBMolBondIter_good(swigCPtr, this); + return openbabelJNI.OBMolBondIter_good(swigCPtr, this); } public OBMolBondIter inc(int arg0) { - return new OBMolBondIter(net.sourceforge.openbabelJNI.OBMolBondIter_inc(swigCPtr, this, arg0), true); + return new OBMolBondIter(openbabelJNI.OBMolBondIter_inc(swigCPtr, this, arg0), true); } public OBBond deref() { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_deref(swigCPtr, this); + long cPtr = openbabelJNI.OBMolBondIter_deref(swigCPtr, this); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBBond __ref__() { - return new OBBond(net.sourceforge.openbabelJNI.OBMolBondIter___ref__(swigCPtr, this), false); + return new OBBond(openbabelJNI.OBMolBondIter___ref__(swigCPtr, this), false); + } + + public void setVisit(boolean value) { + openbabelJNI.OBMolBondIter_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBMolBondIter_Visit_get(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBMolBondIter_SetIdx(swigCPtr, this, idx); } public void SetBO(int order) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetBO(swigCPtr, this, order); + openbabelJNI.OBMolBondIter_SetBO(swigCPtr, this, order); } public void SetBegin(OBAtom begin) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetBegin(swigCPtr, this, OBAtom.getCPtr(begin), begin); + openbabelJNI.OBMolBondIter_SetBegin(swigCPtr, this, OBAtom.getCPtr(begin), begin); } public void SetEnd(OBAtom end) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetEnd(swigCPtr, this, OBAtom.getCPtr(end), end); + openbabelJNI.OBMolBondIter_SetEnd(swigCPtr, this, OBAtom.getCPtr(end), end); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBMolBondIter_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetLength(OBAtom arg0, double arg1) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetLength(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); + openbabelJNI.OBMolBondIter_SetLength(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); } public void Set(int arg0, OBAtom arg1, OBAtom arg2, int arg3, int arg4) { - net.sourceforge.openbabelJNI.OBMolBondIter_Set(swigCPtr, this, arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, arg3, arg4); + openbabelJNI.OBMolBondIter_Set(swigCPtr, this, arg0, OBAtom.getCPtr(arg1), arg1, OBAtom.getCPtr(arg2), arg2, arg3, arg4); } public void SetKSingle() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetKSingle(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetKSingle(swigCPtr, this); } public void SetKDouble() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetKDouble(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetKDouble(swigCPtr, this); } public void SetKTriple() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetKTriple(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetKTriple(swigCPtr, this); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetAromatic(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetAromatic(swigCPtr, this); } public void SetHash() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetHash(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetHash(swigCPtr, this); } public void SetWedge() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetWedge(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetWedge(swigCPtr, this); } public void SetUp() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetUp(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetUp(swigCPtr, this); } public void SetDown() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetDown(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetDown(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetInRing(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetInRing(swigCPtr, this); } public void SetClosure() { - net.sourceforge.openbabelJNI.OBMolBondIter_SetClosure(swigCPtr, this); + openbabelJNI.OBMolBondIter_SetClosure(swigCPtr, this); } public void UnsetHash() { - net.sourceforge.openbabelJNI.OBMolBondIter_UnsetHash(swigCPtr, this); + openbabelJNI.OBMolBondIter_UnsetHash(swigCPtr, this); } public void UnsetWedge() { - net.sourceforge.openbabelJNI.OBMolBondIter_UnsetWedge(swigCPtr, this); + openbabelJNI.OBMolBondIter_UnsetWedge(swigCPtr, this); } public void UnsetUp() { - net.sourceforge.openbabelJNI.OBMolBondIter_UnsetUp(swigCPtr, this); + openbabelJNI.OBMolBondIter_UnsetUp(swigCPtr, this); } public void UnsetDown() { - net.sourceforge.openbabelJNI.OBMolBondIter_UnsetDown(swigCPtr, this); + openbabelJNI.OBMolBondIter_UnsetDown(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBMolBondIter_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBMolBondIter_UnsetAromatic(swigCPtr, this); } public void UnsetKekule() { - net.sourceforge.openbabelJNI.OBMolBondIter_UnsetKekule(swigCPtr, this); + openbabelJNI.OBMolBondIter_UnsetKekule(swigCPtr, this); + } + + public long GetIdx() { + return openbabelJNI.OBMolBondIter_GetIdx(swigCPtr, this); } public long GetBO() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetBO(swigCPtr, this); + return openbabelJNI.OBMolBondIter_GetBO(swigCPtr, this); } public long GetBondOrder() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetBondOrder(swigCPtr, this); + return openbabelJNI.OBMolBondIter_GetBondOrder(swigCPtr, this); } public long GetFlags() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetFlags(swigCPtr, this); + return openbabelJNI.OBMolBondIter_GetFlags(swigCPtr, this); } public long GetBeginAtomIdx() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetBeginAtomIdx(swigCPtr, this); + return openbabelJNI.OBMolBondIter_GetBeginAtomIdx(swigCPtr, this); } public long GetEndAtomIdx() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetEndAtomIdx(swigCPtr, this); + return openbabelJNI.OBMolBondIter_GetEndAtomIdx(swigCPtr, this); } public OBAtom GetBeginAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_GetBeginAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMolBondIter_GetBeginAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom GetEndAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_GetEndAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBMolBondIter_GetEndAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom GetNbrAtom(OBAtom ptr) { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_GetNbrAtom(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); + long cPtr = openbabelJNI.OBMolBondIter_GetNbrAtom(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBMolBondIter_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public double GetEquibLength() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetEquibLength(swigCPtr, this); + return openbabelJNI.OBMolBondIter_GetEquibLength(swigCPtr, this); } public double GetLength() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetLength(swigCPtr, this); + return openbabelJNI.OBMolBondIter_GetLength(swigCPtr, this); } public int GetNbrAtomIdx(OBAtom ptr) { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetNbrAtomIdx(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); + return openbabelJNI.OBMolBondIter_GetNbrAtomIdx(swigCPtr, this, OBAtom.getCPtr(ptr), ptr); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsAromatic(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsInRing(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsInRing(swigCPtr, this); } public boolean IsRotor() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsRotor(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsRotor(swigCPtr, this); } public boolean IsAmide() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsAmide(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsAmide(swigCPtr, this); } public boolean IsPrimaryAmide() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsPrimaryAmide(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsPrimaryAmide(swigCPtr, this); } public boolean IsSecondaryAmide() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsSecondaryAmide(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsSecondaryAmide(swigCPtr, this); } public boolean IsEster() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsEster(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsEster(swigCPtr, this); } public boolean IsCarbonyl() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsCarbonyl(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsCarbonyl(swigCPtr, this); } public boolean IsSingle() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsSingle(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsSingle(swigCPtr, this); } public boolean IsDouble() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsDouble(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsDouble(swigCPtr, this); } public boolean IsTriple() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsTriple(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsTriple(swigCPtr, this); } public boolean IsKSingle() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsKSingle(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsKSingle(swigCPtr, this); } public boolean IsKDouble() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsKDouble(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsKDouble(swigCPtr, this); } public boolean IsKTriple() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsKTriple(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsKTriple(swigCPtr, this); } public boolean IsClosure() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsClosure(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsClosure(swigCPtr, this); } public boolean IsUp() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsUp(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsUp(swigCPtr, this); } public boolean IsDown() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsDown(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsDown(swigCPtr, this); } public boolean IsWedge() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsWedge(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsWedge(swigCPtr, this); } public boolean IsHash() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsHash(swigCPtr, this); + return openbabelJNI.OBMolBondIter_IsHash(swigCPtr, this); } public boolean IsDoubleBondGeometry() { - return net.sourceforge.openbabelJNI.OBMolBondIter_IsDoubleBondGeometry(swigCPtr, this); - } - - public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBMolBondIter_Visit_set(swigCPtr, this, value); - } - - public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBMolBondIter_Visit_get(swigCPtr, this); - } - - public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_GetParent(swigCPtr, this); - return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); - } - - public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); - } - - public long GetIdx() { - return net.sourceforge.openbabelJNI.OBMolBondIter_GetIdx(swigCPtr, this); - } - - public void SetBgn(OBNodeBase n) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetBgn(swigCPtr, this, OBNodeBase.getCPtr(n), n); - } - - public void SwapEnds() { - net.sourceforge.openbabelJNI.OBMolBondIter_SwapEnds(swigCPtr, this); - } - - public OBNodeBase GetBgn() { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_GetBgn(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); - } - - public OBNodeBase GetEnd() { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_GetEnd(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); - } - - public void Error(int f) { - net.sourceforge.openbabelJNI.OBMolBondIter_Error(swigCPtr, this, f); - } - - public boolean Eval(OBEdgeBase arg0) { - return net.sourceforge.openbabelJNI.OBMolBondIter_Eval(swigCPtr, this, OBEdgeBase.getCPtr(arg0), arg0); + return openbabelJNI.OBMolBondIter_IsDoubleBondGeometry(swigCPtr, this); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBMolBondIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBMolBondIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBMolBondIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBMolBondIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBMolBondIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBMolBondIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBMolBondIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBMolBondIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBMolBondIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBMolBondIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBMolBondIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBMolBondIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBMolBondIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBMolBondIter_DataSize(swigCPtr, this); + return openbabelJNI.OBMolBondIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBMolBondIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBMolBondIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBMolBondIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBMolBondIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolBondIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolBondIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBMolBondIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBMolBondIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBNodeBase.java b/scripts/java/OBNodeBase.java index 342536133..38dcdcd8a 100644 --- a/scripts/java/OBNodeBase.java +++ b/scripts/java/OBNodeBase.java @@ -11,7 +11,7 @@ public class OBNodeBase extends OBBase { private long swigCPtr; protected OBNodeBase(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBNodeBaseUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBNodeBaseUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,119 +26,119 @@ public class OBNodeBase extends OBBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBNodeBase(swigCPtr); + openbabelJNI.delete_OBNodeBase(swigCPtr); } swigCPtr = 0; super.delete(); } public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBNodeBase_Visit_set(swigCPtr, this, value); + openbabelJNI.OBNodeBase_Visit_set(swigCPtr, this, value); } public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBNodeBase_Visit_get(swigCPtr, this); + return openbabelJNI.OBNodeBase_Visit_get(swigCPtr, this); } public OBNodeBase() { - this(net.sourceforge.openbabelJNI.new_OBNodeBase(), true); + this(openbabelJNI.new_OBNodeBase(), true); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBNodeBase_GetIdx(swigCPtr, this); + return openbabelJNI.OBNodeBase_GetIdx(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBNodeBase_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBNodeBase_SetIdx(swigCPtr, this, idx); } public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBNodeBase_GetParent(swigCPtr, this); + long cPtr = openbabelJNI.OBNodeBase_GetParent(swigCPtr, this); return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); } public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBNodeBase_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); + openbabelJNI.OBNodeBase_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); } public void AddEdge(OBEdgeBase b) { - net.sourceforge.openbabelJNI.OBNodeBase_AddEdge(swigCPtr, this, OBEdgeBase.getCPtr(b), b); + openbabelJNI.OBNodeBase_AddEdge(swigCPtr, this, OBEdgeBase.getCPtr(b), b); } public long GetValence() { - return net.sourceforge.openbabelJNI.OBNodeBase_GetValence(swigCPtr, this); + return openbabelJNI.OBNodeBase_GetValence(swigCPtr, this); } public boolean IsConnected(OBNodeBase arg0) { - return net.sourceforge.openbabelJNI.OBNodeBase_IsConnected(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); + return openbabelJNI.OBNodeBase_IsConnected(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); } public void Error(int f) { - net.sourceforge.openbabelJNI.OBNodeBase_Error(swigCPtr, this, f); + openbabelJNI.OBNodeBase_Error(swigCPtr, this, f); } public int GetFormalCharge() { - return net.sourceforge.openbabelJNI.OBNodeBase_GetFormalCharge(swigCPtr, this); + return openbabelJNI.OBNodeBase_GetFormalCharge(swigCPtr, this); } public long ExplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBNodeBase_ExplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBNodeBase_ExplicitHydrogenCount(swigCPtr, this); } public long ImplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBNodeBase_ImplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBNodeBase_ImplicitHydrogenCount(swigCPtr, this); } public long GetImplicitValence() { - return net.sourceforge.openbabelJNI.OBNodeBase_GetImplicitValence(swigCPtr, this); + return openbabelJNI.OBNodeBase_GetImplicitValence(swigCPtr, this); } public long GetHvyValence() { - return net.sourceforge.openbabelJNI.OBNodeBase_GetHvyValence(swigCPtr, this); + return openbabelJNI.OBNodeBase_GetHvyValence(swigCPtr, this); } public long KBOSum() { - return net.sourceforge.openbabelJNI.OBNodeBase_KBOSum(swigCPtr, this); + return openbabelJNI.OBNodeBase_KBOSum(swigCPtr, this); } public long GetHyb() { - return net.sourceforge.openbabelJNI.OBNodeBase_GetHyb(swigCPtr, this); + return openbabelJNI.OBNodeBase_GetHyb(swigCPtr, this); } public long MemberOfRingCount() { - return net.sourceforge.openbabelJNI.OBNodeBase_MemberOfRingCount(swigCPtr, this); + return openbabelJNI.OBNodeBase_MemberOfRingCount(swigCPtr, this); } public long GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBNodeBase_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBNodeBase_GetAtomicNum(swigCPtr, this); } public void SetMatch(OBNodeBase arg0) { - net.sourceforge.openbabelJNI.OBNodeBase_SetMatch(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); + openbabelJNI.OBNodeBase_SetMatch(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBNodeBase_SetAromatic(swigCPtr, this); + openbabelJNI.OBNodeBase_SetAromatic(swigCPtr, this); } public boolean IsInRingSize(int arg0) { - return net.sourceforge.openbabelJNI.OBNodeBase_IsInRingSize(swigCPtr, this, arg0); + return openbabelJNI.OBNodeBase_IsInRingSize(swigCPtr, this, arg0); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBNodeBase_IsAromatic(swigCPtr, this); + return openbabelJNI.OBNodeBase_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBNodeBase_IsInRing(swigCPtr, this); + return openbabelJNI.OBNodeBase_IsInRing(swigCPtr, this); } public boolean Eval(OBNodeBase arg0) { - return net.sourceforge.openbabelJNI.OBNodeBase_Eval(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); + return openbabelJNI.OBNodeBase_Eval(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); } public OBNodeBase GetMatch() { - long cPtr = net.sourceforge.openbabelJNI.OBNodeBase_GetMatch(swigCPtr, this); + long cPtr = openbabelJNI.OBNodeBase_GetMatch(swigCPtr, this); return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); } diff --git a/scripts/java/OBPairData.java b/scripts/java/OBPairData.java index dbb30d1e7..b7cd265b6 100644 --- a/scripts/java/OBPairData.java +++ b/scripts/java/OBPairData.java @@ -11,7 +11,7 @@ public class OBPairData extends OBGenericData { private long swigCPtr; protected OBPairData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBPairDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBPairDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,27 +26,27 @@ public class OBPairData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBPairData(swigCPtr); + openbabelJNI.delete_OBPairData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBPairData() { - this(net.sourceforge.openbabelJNI.new_OBPairData(), true); + this(openbabelJNI.new_OBPairData(), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBPairData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBPairData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetValue(String v) { - net.sourceforge.openbabelJNI.OBPairData_SetValue__SWIG_0(swigCPtr, this, v); + openbabelJNI.OBPairData_SetValue__SWIG_0(swigCPtr, this, v); } public String GetValue() { - return net.sourceforge.openbabelJNI.OBPairData_GetValue(swigCPtr, this); + return openbabelJNI.OBPairData_GetValue(swigCPtr, this); } } diff --git a/scripts/java/OBRTree.java b/scripts/java/OBRTree.java index 3dd771e95..8caa93e35 100644 --- a/scripts/java/OBRTree.java +++ b/scripts/java/OBRTree.java @@ -27,21 +27,21 @@ public class OBRTree { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBRTree(swigCPtr); + openbabelJNI.delete_OBRTree(swigCPtr); } swigCPtr = 0; } public OBRTree(OBAtom arg0, OBRTree arg1) { - this(net.sourceforge.openbabelJNI.new_OBRTree(OBAtom.getCPtr(arg0), arg0, OBRTree.getCPtr(arg1), arg1), true); + this(openbabelJNI.new_OBRTree(OBAtom.getCPtr(arg0), arg0, OBRTree.getCPtr(arg1), arg1), true); } public int GetAtomIdx() { - return net.sourceforge.openbabelJNI.OBRTree_GetAtomIdx(swigCPtr, this); + return openbabelJNI.OBRTree_GetAtomIdx(swigCPtr, this); } - public void PathToRoot(SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t arg0) { - net.sourceforge.openbabelJNI.OBRTree_PathToRoot(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t.getCPtr(arg0)); + public void PathToRoot(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t arg0) { + openbabelJNI.OBRTree_PathToRoot(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t.getCPtr(arg0)); } } diff --git a/scripts/java/OBRandom.java b/scripts/java/OBRandom.java index 325ede0f2..823a0097a 100644 --- a/scripts/java/OBRandom.java +++ b/scripts/java/OBRandom.java @@ -27,33 +27,33 @@ public class OBRandom { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBRandom(swigCPtr); + openbabelJNI.delete_OBRandom(swigCPtr); } swigCPtr = 0; } public OBRandom(boolean useSys) { - this(net.sourceforge.openbabelJNI.new_OBRandom__SWIG_0(useSys), true); + this(openbabelJNI.new_OBRandom__SWIG_0(useSys), true); } public OBRandom() { - this(net.sourceforge.openbabelJNI.new_OBRandom__SWIG_1(), true); + this(openbabelJNI.new_OBRandom__SWIG_1(), true); } public void Seed(int seed) { - net.sourceforge.openbabelJNI.OBRandom_Seed(swigCPtr, this, seed); + openbabelJNI.OBRandom_Seed(swigCPtr, this, seed); } public void TimeSeed() { - net.sourceforge.openbabelJNI.OBRandom_TimeSeed(swigCPtr, this); + openbabelJNI.OBRandom_TimeSeed(swigCPtr, this); } public int NextInt() { - return net.sourceforge.openbabelJNI.OBRandom_NextInt(swigCPtr, this); + return openbabelJNI.OBRandom_NextInt(swigCPtr, this); } public double NextFloat() { - return net.sourceforge.openbabelJNI.OBRandom_NextFloat(swigCPtr, this); + return openbabelJNI.OBRandom_NextFloat(swigCPtr, this); } } diff --git a/scripts/java/OBResidue.java b/scripts/java/OBResidue.java index 1737fbf1a..28a31108b 100644 --- a/scripts/java/OBResidue.java +++ b/scripts/java/OBResidue.java @@ -11,7 +11,7 @@ public class OBResidue extends OBBase { private long swigCPtr; protected OBResidue(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBResidueUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBResidueUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,143 +26,151 @@ public class OBResidue extends OBBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBResidue(swigCPtr); + openbabelJNI.delete_OBResidue(swigCPtr); } swigCPtr = 0; super.delete(); } public OBResidue() { - this(net.sourceforge.openbabelJNI.new_OBResidue__SWIG_0(), true); + this(openbabelJNI.new_OBResidue__SWIG_0(), true); } public OBResidue(OBResidue arg0) { - this(net.sourceforge.openbabelJNI.new_OBResidue__SWIG_1(OBResidue.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBResidue__SWIG_1(OBResidue.getCPtr(arg0), arg0), true); } public void AddAtom(OBAtom atom) { - net.sourceforge.openbabelJNI.OBResidue_AddAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + openbabelJNI.OBResidue_AddAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public void InsertAtom(OBAtom atom) { - net.sourceforge.openbabelJNI.OBResidue_InsertAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + openbabelJNI.OBResidue_InsertAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public void RemoveAtom(OBAtom atom) { - net.sourceforge.openbabelJNI.OBResidue_RemoveAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + openbabelJNI.OBResidue_RemoveAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public void Clear() { - net.sourceforge.openbabelJNI.OBResidue_Clear(swigCPtr, this); + openbabelJNI.OBResidue_Clear(swigCPtr, this); } public void SetName(String resname) { - net.sourceforge.openbabelJNI.OBResidue_SetName(swigCPtr, this, resname); + openbabelJNI.OBResidue_SetName(swigCPtr, this, resname); } public void SetNum(long resnum) { - net.sourceforge.openbabelJNI.OBResidue_SetNum(swigCPtr, this, resnum); + openbabelJNI.OBResidue_SetNum(swigCPtr, this, resnum); } public void SetChain(char chain) { - net.sourceforge.openbabelJNI.OBResidue_SetChain(swigCPtr, this, chain); + openbabelJNI.OBResidue_SetChain(swigCPtr, this, chain); } public void SetChainNum(long chainnum) { - net.sourceforge.openbabelJNI.OBResidue_SetChainNum(swigCPtr, this, chainnum); + openbabelJNI.OBResidue_SetChainNum(swigCPtr, this, chainnum); } public void SetIdx(long idx) { - net.sourceforge.openbabelJNI.OBResidue_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBResidue_SetIdx(swigCPtr, this, idx); } public void SetAtomID(OBAtom atom, String id) { - net.sourceforge.openbabelJNI.OBResidue_SetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom, id); + openbabelJNI.OBResidue_SetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom, id); } public void SetHetAtom(OBAtom atom, boolean hetatm) { - net.sourceforge.openbabelJNI.OBResidue_SetHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom, hetatm); + openbabelJNI.OBResidue_SetHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom, hetatm); } public void SetSerialNum(OBAtom atom, long sernum) { - net.sourceforge.openbabelJNI.OBResidue_SetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom, sernum); + openbabelJNI.OBResidue_SetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom, sernum); } public String GetName() { - return net.sourceforge.openbabelJNI.OBResidue_GetName(swigCPtr, this); + return openbabelJNI.OBResidue_GetName(swigCPtr, this); } public long GetNum() { - return net.sourceforge.openbabelJNI.OBResidue_GetNum(swigCPtr, this); + return openbabelJNI.OBResidue_GetNum(swigCPtr, this); } public long GetNumAtoms() { - return net.sourceforge.openbabelJNI.OBResidue_GetNumAtoms(swigCPtr, this); + return openbabelJNI.OBResidue_GetNumAtoms(swigCPtr, this); } public char GetChain() { - return net.sourceforge.openbabelJNI.OBResidue_GetChain(swigCPtr, this); + return openbabelJNI.OBResidue_GetChain(swigCPtr, this); } public long GetChainNum() { - return net.sourceforge.openbabelJNI.OBResidue_GetChainNum(swigCPtr, this); + return openbabelJNI.OBResidue_GetChainNum(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBResidue_GetIdx(swigCPtr, this); + return openbabelJNI.OBResidue_GetIdx(swigCPtr, this); } public long GetResKey() { - return net.sourceforge.openbabelJNI.OBResidue_GetResKey(swigCPtr, this); + return openbabelJNI.OBResidue_GetResKey(swigCPtr, this); } public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t GetAtoms() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t(net.sourceforge.openbabelJNI.OBResidue_GetAtoms(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t(openbabelJNI.OBResidue_GetAtoms(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t GetBonds(boolean exterior) { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(net.sourceforge.openbabelJNI.OBResidue_GetBonds__SWIG_0(swigCPtr, this, exterior), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(openbabelJNI.OBResidue_GetBonds__SWIG_0(swigCPtr, this, exterior), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t GetBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(net.sourceforge.openbabelJNI.OBResidue_GetBonds__SWIG_1(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(openbabelJNI.OBResidue_GetBonds__SWIG_1(swigCPtr, this), true); } public String GetAtomID(OBAtom atom) { - return net.sourceforge.openbabelJNI.OBResidue_GetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom); + return openbabelJNI.OBResidue_GetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public long GetSerialNum(OBAtom atom) { - return net.sourceforge.openbabelJNI.OBResidue_GetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom); + return openbabelJNI.OBResidue_GetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public boolean GetAminoAcidProperty(int arg0) { - return net.sourceforge.openbabelJNI.OBResidue_GetAminoAcidProperty(swigCPtr, this, arg0); + return openbabelJNI.OBResidue_GetAminoAcidProperty(swigCPtr, this, arg0); } public boolean GetAtomProperty(OBAtom arg0, int arg1) { - return net.sourceforge.openbabelJNI.OBResidue_GetAtomProperty(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); + return openbabelJNI.OBResidue_GetAtomProperty(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); } public boolean GetResidueProperty(int arg0) { - return net.sourceforge.openbabelJNI.OBResidue_GetResidueProperty(swigCPtr, this, arg0); + return openbabelJNI.OBResidue_GetResidueProperty(swigCPtr, this, arg0); } public boolean IsHetAtom(OBAtom atom) { - return net.sourceforge.openbabelJNI.OBResidue_IsHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + return openbabelJNI.OBResidue_IsHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public boolean IsResidueType(int arg0) { - return net.sourceforge.openbabelJNI.OBResidue_IsResidueType(swigCPtr, this, arg0); + return openbabelJNI.OBResidue_IsResidueType(swigCPtr, this, arg0); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator BeginAtoms() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator(openbabelJNI.OBResidue_BeginAtoms(swigCPtr, this), true); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator EndAtoms() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator(openbabelJNI.OBResidue_EndAtoms(swigCPtr, this), true); } public OBAtom BeginAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBResidue_BeginAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBResidue_BeginAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom NextAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBResidue_NextAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBResidue_NextAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } diff --git a/scripts/java/OBResidueAtomIter.java b/scripts/java/OBResidueAtomIter.java index dd15bb2b8..3607a2db1 100644 --- a/scripts/java/OBResidueAtomIter.java +++ b/scripts/java/OBResidueAtomIter.java @@ -27,654 +27,633 @@ public class OBResidueAtomIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBResidueAtomIter(swigCPtr); + openbabelJNI.delete_OBResidueAtomIter(swigCPtr); } swigCPtr = 0; } public OBResidueAtomIter() { - this(net.sourceforge.openbabelJNI.new_OBResidueAtomIter__SWIG_0(), true); + this(openbabelJNI.new_OBResidueAtomIter__SWIG_0(), true); } public OBResidueAtomIter(OBResidue res) { - this(net.sourceforge.openbabelJNI.new_OBResidueAtomIter__SWIG_1(OBResidue.getCPtr(res), res), true); + this(openbabelJNI.new_OBResidueAtomIter__SWIG_1(OBResidue.getCPtr(res), res), true); } public OBResidueAtomIter(OBResidueAtomIter ri) { - this(net.sourceforge.openbabelJNI.new_OBResidueAtomIter__SWIG_3(OBResidueAtomIter.getCPtr(ri), ri), true); + this(openbabelJNI.new_OBResidueAtomIter__SWIG_3(OBResidueAtomIter.getCPtr(ri), ri), true); } public boolean good() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_good(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_good(swigCPtr, this); } public OBResidueAtomIter inc(int arg0) { - return new OBResidueAtomIter(net.sourceforge.openbabelJNI.OBResidueAtomIter_inc(swigCPtr, this, arg0), true); + return new OBResidueAtomIter(openbabelJNI.OBResidueAtomIter_inc(swigCPtr, this, arg0), true); } public OBAtom deref() { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_deref(swigCPtr, this); + long cPtr = openbabelJNI.OBResidueAtomIter_deref(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom __ref__() { - return new OBAtom(net.sourceforge.openbabelJNI.OBResidueAtomIter___ref__(swigCPtr, this), false); + return new OBAtom(openbabelJNI.OBResidueAtomIter___ref__(swigCPtr, this), false); + } + + public void setVisit(boolean value) { + openbabelJNI.OBResidueAtomIter_Visit_set(swigCPtr, this, value); + } + + public boolean getVisit() { + return openbabelJNI.OBResidueAtomIter_Visit_get(swigCPtr, this); } public void Clear() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_Clear(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_Clear(swigCPtr, this); } public void SetIdx(int idx) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBResidueAtomIter_SetIdx(swigCPtr, this, idx); } public void SetHyb(int hyb) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetHyb(swigCPtr, this, hyb); + openbabelJNI.OBResidueAtomIter_SetHyb(swigCPtr, this, hyb); } public void SetAtomicNum(int atomicnum) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetAtomicNum(swigCPtr, this, atomicnum); + openbabelJNI.OBResidueAtomIter_SetAtomicNum(swigCPtr, this, atomicnum); } public void SetIsotope(long iso) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetIsotope(swigCPtr, this, iso); + openbabelJNI.OBResidueAtomIter_SetIsotope(swigCPtr, this, iso); } public void SetImplicitValence(int val) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetImplicitValence(swigCPtr, this, val); + openbabelJNI.OBResidueAtomIter_SetImplicitValence(swigCPtr, this, val); } public void IncrementImplicitValence() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_IncrementImplicitValence(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_IncrementImplicitValence(swigCPtr, this); } public void DecrementImplicitValence() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_DecrementImplicitValence(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_DecrementImplicitValence(swigCPtr, this); } public void SetFormalCharge(int fcharge) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetFormalCharge(swigCPtr, this, fcharge); + openbabelJNI.OBResidueAtomIter_SetFormalCharge(swigCPtr, this, fcharge); } public void SetSpinMultiplicity(short spin) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetSpinMultiplicity(swigCPtr, this, spin); + openbabelJNI.OBResidueAtomIter_SetSpinMultiplicity(swigCPtr, this, spin); } public void SetType(String type) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetType__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBResidueAtomIter_SetType__SWIG_0(swigCPtr, this, type); } public void SetType(SWIGTYPE_p_std__string type) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); + openbabelJNI.OBResidueAtomIter_SetType__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(type)); } public void SetPartialCharge(double pcharge) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetPartialCharge(swigCPtr, this, pcharge); + openbabelJNI.OBResidueAtomIter_SetPartialCharge(swigCPtr, this, pcharge); } public void SetVector(vector3 v) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); + openbabelJNI.OBResidueAtomIter_SetVector__SWIG_0(swigCPtr, this, vector3.getCPtr(v), v); } public void SetVector(double x, double y, double z) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); + openbabelJNI.OBResidueAtomIter_SetVector__SWIG_1(swigCPtr, this, x, y, z); } public void SetVector() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetVector__SWIG_2(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetVector__SWIG_2(swigCPtr, this); } public void SetCoordPtr(SWIGTYPE_p_p_double c) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); + openbabelJNI.OBResidueAtomIter_SetCoordPtr(swigCPtr, this, SWIGTYPE_p_p_double.getCPtr(c)); } public void SetResidue(OBResidue res) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + openbabelJNI.OBResidueAtomIter_SetResidue(swigCPtr, this, OBResidue.getCPtr(res), res); + } + + public void SetParent(OBMol ptr) { + openbabelJNI.OBResidueAtomIter_SetParent(swigCPtr, this, OBMol.getCPtr(ptr), ptr); } public void SetAromatic() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetAromatic(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetAromatic(swigCPtr, this); } public void UnsetAromatic() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_UnsetAromatic(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_UnsetAromatic(swigCPtr, this); } public void SetClockwiseStereo() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetClockwiseStereo(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetClockwiseStereo(swigCPtr, this); } public void SetAntiClockwiseStereo() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetAntiClockwiseStereo(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetAntiClockwiseStereo(swigCPtr, this); } public void SetPositiveStereo() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetPositiveStereo(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetPositiveStereo(swigCPtr, this); } public void SetNegativeStereo() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetNegativeStereo(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetNegativeStereo(swigCPtr, this); } public void UnsetStereo() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_UnsetStereo(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_UnsetStereo(swigCPtr, this); } public void SetInRing() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetInRing(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetInRing(swigCPtr, this); } public void SetChiral() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetChiral(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_SetChiral(swigCPtr, this); } public void ClearCoordPtr() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_ClearCoordPtr(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_ClearCoordPtr(swigCPtr, this); } public int GetFormalCharge() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetFormalCharge(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetFormalCharge(swigCPtr, this); } public long GetAtomicNum() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetAtomicNum(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetAtomicNum(swigCPtr, this); } public int GetIsotope() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetIsotope(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetIsotope(swigCPtr, this); } public int GetSpinMultiplicity() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetSpinMultiplicity(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetSpinMultiplicity(swigCPtr, this); } public double GetAtomicMass() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetAtomicMass(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetAtomicMass(swigCPtr, this); } public double GetExactMass() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetExactMass(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetExactMass(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetIdx(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetIdx(swigCPtr, this); } public long GetCoordinateIdx() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetCoordinateIdx(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetCoordinateIdx(swigCPtr, this); } public long GetCIdx() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetCIdx(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetCIdx(swigCPtr, this); } public long GetValence() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetValence(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetValence(swigCPtr, this); } public long GetHyb() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetHyb(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetHyb(swigCPtr, this); } public long GetImplicitValence() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetImplicitValence(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetImplicitValence(swigCPtr, this); } public long GetHvyValence() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetHvyValence(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetHvyValence(swigCPtr, this); } public long GetHeteroValence() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetHeteroValence(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetHeteroValence(swigCPtr, this); } public String GetType() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetType(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetType(swigCPtr, this); } public double GetX() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetX(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetX(swigCPtr, this); } public double x() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_x(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_x(swigCPtr, this); } public double GetY() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetY(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetY(swigCPtr, this); } public double y() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_y(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_y(swigCPtr, this); } public double GetZ() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetZ(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetZ(swigCPtr, this); } public double z() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_z(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_z(swigCPtr, this); } public SWIGTYPE_p_double GetCoordinate() { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_GetCoordinate(swigCPtr, this); + long cPtr = openbabelJNI.OBResidueAtomIter_GetCoordinate(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public vector3 GetVector() { - return new vector3(net.sourceforge.openbabelJNI.OBResidueAtomIter_GetVector(swigCPtr, this), false); + return new vector3(openbabelJNI.OBResidueAtomIter_GetVector(swigCPtr, this), false); } public double GetPartialCharge() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetPartialCharge(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_GetPartialCharge(swigCPtr, this); } public OBResidue GetResidue() { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_GetResidue(swigCPtr, this); + long cPtr = openbabelJNI.OBResidueAtomIter_GetResidue(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } + public OBMol GetParent() { + long cPtr = openbabelJNI.OBResidueAtomIter_GetParent(swigCPtr, this); + return (cPtr == 0) ? null : new OBMol(cPtr, false); + } + public boolean GetNewBondVector(vector3 v, double length) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); + return openbabelJNI.OBResidueAtomIter_GetNewBondVector(swigCPtr, this, vector3.getCPtr(v), v, length); } public OBBond GetBond(OBAtom arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBResidueAtomIter_GetBond(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBBond(cPtr, false); } public OBAtom GetNextAtom() { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_GetNextAtom(swigCPtr, this); + long cPtr = openbabelJNI.OBResidueAtomIter_GetNextAtom(swigCPtr, this); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator BeginBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBResidueAtomIter_BeginBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator BeginBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBResidueAtomIter_BeginBonds(swigCPtr, this), true); } - public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator EndBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBResidueAtomIter_EndBonds(swigCPtr, this), true); + public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator EndBonds() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(openbabelJNI.OBResidueAtomIter_EndBonds(swigCPtr, this), true); } - public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBResidueAtomIter_BeginBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i)); + public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i) { + long cPtr = openbabelJNI.OBResidueAtomIter_NextBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBBond(cPtr, false); } - public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBResidueAtomIter_BeginNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } - public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0)); + public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator arg0) { + long cPtr = openbabelJNI.OBResidueAtomIter_NextNbrAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(arg0)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public double GetDistance(int index) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetDistance__SWIG_0(swigCPtr, this, index); + return openbabelJNI.OBResidueAtomIter_GetDistance__SWIG_0(swigCPtr, this, index); } public double GetDistance(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBResidueAtomIter_GetDistance__SWIG_1(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public double GetAngle(int b, int c) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetAngle__SWIG_0(swigCPtr, this, b, c); + return openbabelJNI.OBResidueAtomIter_GetAngle__SWIG_0(swigCPtr, this, b, c); } public double GetAngle(OBAtom b, OBAtom c) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); + return openbabelJNI.OBResidueAtomIter_GetAngle__SWIG_1(swigCPtr, this, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c); } public void NewResidue() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_NewResidue(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_NewResidue(swigCPtr, this); } public void DeleteResidue() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_DeleteResidue(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_DeleteResidue(swigCPtr, this); } public void AddBond(OBBond bond) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); + openbabelJNI.OBResidueAtomIter_AddBond(swigCPtr, this, OBBond.getCPtr(bond), bond); } - public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i, OBBond bond) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); + public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator i, OBBond bond) { + openbabelJNI.OBResidueAtomIter_InsertBond(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond), bond); } public boolean DeleteBond(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBResidueAtomIter_DeleteBond(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public void ClearBond() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_ClearBond(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_ClearBond(swigCPtr, this); } public long CountFreeOxygens() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_CountFreeOxygens(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_CountFreeOxygens(swigCPtr, this); } public long ImplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_ImplicitHydrogenCount(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_ImplicitHydrogenCount(swigCPtr, this); } public long ExplicitHydrogenCount(boolean ExcludeIsotopes) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); + return openbabelJNI.OBResidueAtomIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, this, ExcludeIsotopes); } public long ExplicitHydrogenCount() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_ExplicitHydrogenCount__SWIG_1(swigCPtr, this); } public long MemberOfRingCount() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_MemberOfRingCount(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_MemberOfRingCount(swigCPtr, this); } public long MemberOfRingSize() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_MemberOfRingSize(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_MemberOfRingSize(swigCPtr, this); } public long CountRingBonds() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_CountRingBonds(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_CountRingBonds(swigCPtr, this); } public double SmallestBondAngle() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_SmallestBondAngle(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_SmallestBondAngle(swigCPtr, this); } public double AverageBondAngle() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_AverageBondAngle(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_AverageBondAngle(swigCPtr, this); } public long BOSum() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_BOSum(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_BOSum(swigCPtr, this); } public long KBOSum() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_KBOSum(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_KBOSum(swigCPtr, this); } public boolean HtoMethyl() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HtoMethyl(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HtoMethyl(swigCPtr, this); } public boolean SetHybAndGeom(int arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_SetHybAndGeom(swigCPtr, this, arg0); + return openbabelJNI.OBResidueAtomIter_SetHybAndGeom(swigCPtr, this, arg0); } public void ForceNoH() { - net.sourceforge.openbabelJNI.OBResidueAtomIter_ForceNoH(swigCPtr, this); + openbabelJNI.OBResidueAtomIter_ForceNoH(swigCPtr, this); } public boolean HasNoHForced() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasNoHForced(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasNoHForced(swigCPtr, this); } public boolean HasResidue() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasResidue(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasResidue(swigCPtr, this); } public boolean IsHydrogen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsHydrogen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsHydrogen(swigCPtr, this); } public boolean IsCarbon() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsCarbon(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsCarbon(swigCPtr, this); } public boolean IsNitrogen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsNitrogen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsNitrogen(swigCPtr, this); } public boolean IsOxygen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsOxygen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsOxygen(swigCPtr, this); } public boolean IsSulfur() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsSulfur(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsSulfur(swigCPtr, this); } public boolean IsPhosphorus() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsPhosphorus(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsPhosphorus(swigCPtr, this); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsAromatic(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsAromatic(swigCPtr, this); } public boolean IsInRing() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsInRing(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsInRing(swigCPtr, this); } public boolean IsInRingSize(int arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsInRingSize(swigCPtr, this, arg0); + return openbabelJNI.OBResidueAtomIter_IsInRingSize(swigCPtr, this, arg0); } public boolean IsHeteroatom() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsHeteroatom(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsHeteroatom(swigCPtr, this); } public boolean IsNotCorH() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsNotCorH(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsNotCorH(swigCPtr, this); } public boolean IsConnected(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBResidueAtomIter_IsConnected(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneThree(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBResidueAtomIter_IsOneThree(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsOneFour(OBAtom arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); + return openbabelJNI.OBResidueAtomIter_IsOneFour(swigCPtr, this, OBAtom.getCPtr(arg0), arg0); } public boolean IsCarboxylOxygen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsCarboxylOxygen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsCarboxylOxygen(swigCPtr, this); } public boolean IsPhosphateOxygen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsPhosphateOxygen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsPhosphateOxygen(swigCPtr, this); } public boolean IsSulfateOxygen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsSulfateOxygen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsSulfateOxygen(swigCPtr, this); } public boolean IsNitroOxygen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsNitroOxygen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsNitroOxygen(swigCPtr, this); } public boolean IsAmideNitrogen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsAmideNitrogen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsAmideNitrogen(swigCPtr, this); } public boolean IsPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsPolarHydrogen(swigCPtr, this); } public boolean IsNonPolarHydrogen() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsNonPolarHydrogen(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsNonPolarHydrogen(swigCPtr, this); } public boolean IsAromaticNOxide() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsAromaticNOxide(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsAromaticNOxide(swigCPtr, this); } public boolean IsChiral() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsChiral(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsChiral(swigCPtr, this); } public boolean IsAxial() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsAxial(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsAxial(swigCPtr, this); } public boolean IsClockwise() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsClockwise(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsClockwise(swigCPtr, this); } public boolean IsAntiClockwise() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsAntiClockwise(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsAntiClockwise(swigCPtr, this); } public boolean IsPositiveStereo() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsPositiveStereo(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsPositiveStereo(swigCPtr, this); } public boolean IsNegativeStereo() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsNegativeStereo(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsNegativeStereo(swigCPtr, this); } public boolean HasChiralitySpecified() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasChiralitySpecified(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasChiralitySpecified(swigCPtr, this); } public boolean HasChiralVolume() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasChiralVolume(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasChiralVolume(swigCPtr, this); } public boolean IsHbondAcceptor() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsHbondAcceptor(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsHbondAcceptor(swigCPtr, this); } public boolean IsHbondDonor() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsHbondDonor(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsHbondDonor(swigCPtr, this); } public boolean IsHbondDonorH() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_IsHbondDonorH(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_IsHbondDonorH(swigCPtr, this); } public boolean HasAlphaBetaUnsat(boolean includePandS) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); + return openbabelJNI.OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, this, includePandS); } public boolean HasAlphaBetaUnsat() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr, this); } public boolean HasBondOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasBondOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBResidueAtomIter_HasBondOfOrder(swigCPtr, this, arg0); } public int CountBondsOfOrder(long arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_CountBondsOfOrder(swigCPtr, this, arg0); + return openbabelJNI.OBResidueAtomIter_CountBondsOfOrder(swigCPtr, this, arg0); } public boolean HasNonSingleBond() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasNonSingleBond(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasNonSingleBond(swigCPtr, this); } public boolean HasSingleBond() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasSingleBond(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasSingleBond(swigCPtr, this); } public boolean HasDoubleBond() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasDoubleBond(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasDoubleBond(swigCPtr, this); } public boolean HasAromaticBond() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasAromaticBond(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_HasAromaticBond(swigCPtr, this); } public boolean MatchesSMARTS(String arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_MatchesSMARTS(swigCPtr, this, arg0); - } - - public void setVisit(boolean value) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_Visit_set(swigCPtr, this, value); - } - - public boolean getVisit() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_Visit_get(swigCPtr, this); - } - - public OBGraphBase GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_GetParent(swigCPtr, this); - return (cPtr == 0) ? null : new OBGraphBase(cPtr, false); - } - - public void SetParent(OBGraphBase arg0) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetParent(swigCPtr, this, OBGraphBase.getCPtr(arg0), arg0); - } - - public void AddEdge(OBEdgeBase b) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_AddEdge(swigCPtr, this, OBEdgeBase.getCPtr(b), b); - } - - public void Error(int f) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_Error(swigCPtr, this, f); - } - - public void SetMatch(OBNodeBase arg0) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetMatch(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public boolean Eval(OBNodeBase arg0) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_Eval(swigCPtr, this, OBNodeBase.getCPtr(arg0), arg0); - } - - public OBNodeBase GetMatch() { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_GetMatch(swigCPtr, this); - return (cPtr == 0) ? null : new OBNodeBase(cPtr, false); + return openbabelJNI.OBResidueAtomIter_MatchesSMARTS(swigCPtr, this, arg0); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBResidueAtomIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBResidueAtomIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBResidueAtomIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBResidueAtomIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBResidueAtomIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBResidueAtomIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBResidueAtomIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBResidueAtomIter_DataSize(swigCPtr, this); + return openbabelJNI.OBResidueAtomIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueAtomIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBResidueAtomIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBResidueAtomIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBResidueAtomIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBResidueAtomIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBResidueAtomIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBResidueAtomIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBResidueAtomIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBResidueData.java b/scripts/java/OBResidueData.java index b5a9ad4e1..5e03e06ac 100644 --- a/scripts/java/OBResidueData.java +++ b/scripts/java/OBResidueData.java @@ -11,7 +11,7 @@ public class OBResidueData extends OBGlobalDataBase { private long swigCPtr; protected OBResidueData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBResidueDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBResidueDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,42 +26,42 @@ public class OBResidueData extends OBGlobalDataBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBResidueData(swigCPtr); + openbabelJNI.delete_OBResidueData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBResidueData() { - this(net.sourceforge.openbabelJNI.new_OBResidueData(), true); + this(openbabelJNI.new_OBResidueData(), true); } public void ParseLine(String arg0) { - net.sourceforge.openbabelJNI.OBResidueData_ParseLine(swigCPtr, this, arg0); + openbabelJNI.OBResidueData_ParseLine(swigCPtr, this, arg0); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBResidueData_GetSize(swigCPtr, this); + return openbabelJNI.OBResidueData_GetSize(swigCPtr, this); } public boolean SetResName(String arg0) { - return net.sourceforge.openbabelJNI.OBResidueData_SetResName(swigCPtr, this, arg0); + return openbabelJNI.OBResidueData_SetResName(swigCPtr, this, arg0); } public int LookupBO(String arg0) { - return net.sourceforge.openbabelJNI.OBResidueData_LookupBO__SWIG_0(swigCPtr, this, arg0); + return openbabelJNI.OBResidueData_LookupBO__SWIG_0(swigCPtr, this, arg0); } public int LookupBO(String arg0, String arg1) { - return net.sourceforge.openbabelJNI.OBResidueData_LookupBO__SWIG_1(swigCPtr, this, arg0, arg1); + return openbabelJNI.OBResidueData_LookupBO__SWIG_1(swigCPtr, this, arg0, arg1); } public boolean LookupType(String arg0, SWIGTYPE_p_std__string arg1, SWIGTYPE_p_int arg2) { - return net.sourceforge.openbabelJNI.OBResidueData_LookupType(swigCPtr, this, arg0, SWIGTYPE_p_std__string.getCPtr(arg1), SWIGTYPE_p_int.getCPtr(arg2)); + return openbabelJNI.OBResidueData_LookupType(swigCPtr, this, arg0, SWIGTYPE_p_std__string.getCPtr(arg1), SWIGTYPE_p_int.getCPtr(arg2)); } public boolean AssignBonds(OBMol arg0, OBBitVec arg1) { - return net.sourceforge.openbabelJNI.OBResidueData_AssignBonds(swigCPtr, this, OBMol.getCPtr(arg0), arg0, OBBitVec.getCPtr(arg1), arg1); + return openbabelJNI.OBResidueData_AssignBonds(swigCPtr, this, OBMol.getCPtr(arg0), arg0, OBBitVec.getCPtr(arg1), arg1); } } diff --git a/scripts/java/OBResidueIter.java b/scripts/java/OBResidueIter.java index 393eb4602..c842a6403 100644 --- a/scripts/java/OBResidueIter.java +++ b/scripts/java/OBResidueIter.java @@ -27,214 +27,222 @@ public class OBResidueIter { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBResidueIter(swigCPtr); + openbabelJNI.delete_OBResidueIter(swigCPtr); } swigCPtr = 0; } public OBResidueIter() { - this(net.sourceforge.openbabelJNI.new_OBResidueIter__SWIG_0(), true); + this(openbabelJNI.new_OBResidueIter__SWIG_0(), true); } public OBResidueIter(OBMol mol) { - this(net.sourceforge.openbabelJNI.new_OBResidueIter__SWIG_1(OBMol.getCPtr(mol), mol), true); + this(openbabelJNI.new_OBResidueIter__SWIG_1(OBMol.getCPtr(mol), mol), true); } public OBResidueIter(OBResidueIter ri) { - this(net.sourceforge.openbabelJNI.new_OBResidueIter__SWIG_3(OBResidueIter.getCPtr(ri), ri), true); + this(openbabelJNI.new_OBResidueIter__SWIG_3(OBResidueIter.getCPtr(ri), ri), true); } public boolean good() { - return net.sourceforge.openbabelJNI.OBResidueIter_good(swigCPtr, this); + return openbabelJNI.OBResidueIter_good(swigCPtr, this); } public OBResidueIter inc(int arg0) { - return new OBResidueIter(net.sourceforge.openbabelJNI.OBResidueIter_inc(swigCPtr, this, arg0), true); + return new OBResidueIter(openbabelJNI.OBResidueIter_inc(swigCPtr, this, arg0), true); } public OBResidue __deref__() { - long cPtr = net.sourceforge.openbabelJNI.OBResidueIter___deref__(swigCPtr, this); + long cPtr = openbabelJNI.OBResidueIter___deref__(swigCPtr, this); return (cPtr == 0) ? null : new OBResidue(cPtr, false); } public OBResidue __ref__() { - return new OBResidue(net.sourceforge.openbabelJNI.OBResidueIter___ref__(swigCPtr, this), false); + return new OBResidue(openbabelJNI.OBResidueIter___ref__(swigCPtr, this), false); } public void AddAtom(OBAtom atom) { - net.sourceforge.openbabelJNI.OBResidueIter_AddAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + openbabelJNI.OBResidueIter_AddAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public void InsertAtom(OBAtom atom) { - net.sourceforge.openbabelJNI.OBResidueIter_InsertAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + openbabelJNI.OBResidueIter_InsertAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public void RemoveAtom(OBAtom atom) { - net.sourceforge.openbabelJNI.OBResidueIter_RemoveAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + openbabelJNI.OBResidueIter_RemoveAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public void Clear() { - net.sourceforge.openbabelJNI.OBResidueIter_Clear(swigCPtr, this); + openbabelJNI.OBResidueIter_Clear(swigCPtr, this); } public void SetName(String resname) { - net.sourceforge.openbabelJNI.OBResidueIter_SetName(swigCPtr, this, resname); + openbabelJNI.OBResidueIter_SetName(swigCPtr, this, resname); } public void SetNum(long resnum) { - net.sourceforge.openbabelJNI.OBResidueIter_SetNum(swigCPtr, this, resnum); + openbabelJNI.OBResidueIter_SetNum(swigCPtr, this, resnum); } public void SetChain(char chain) { - net.sourceforge.openbabelJNI.OBResidueIter_SetChain(swigCPtr, this, chain); + openbabelJNI.OBResidueIter_SetChain(swigCPtr, this, chain); } public void SetChainNum(long chainnum) { - net.sourceforge.openbabelJNI.OBResidueIter_SetChainNum(swigCPtr, this, chainnum); + openbabelJNI.OBResidueIter_SetChainNum(swigCPtr, this, chainnum); } public void SetIdx(long idx) { - net.sourceforge.openbabelJNI.OBResidueIter_SetIdx(swigCPtr, this, idx); + openbabelJNI.OBResidueIter_SetIdx(swigCPtr, this, idx); } public void SetAtomID(OBAtom atom, String id) { - net.sourceforge.openbabelJNI.OBResidueIter_SetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom, id); + openbabelJNI.OBResidueIter_SetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom, id); } public void SetHetAtom(OBAtom atom, boolean hetatm) { - net.sourceforge.openbabelJNI.OBResidueIter_SetHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom, hetatm); + openbabelJNI.OBResidueIter_SetHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom, hetatm); } public void SetSerialNum(OBAtom atom, long sernum) { - net.sourceforge.openbabelJNI.OBResidueIter_SetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom, sernum); + openbabelJNI.OBResidueIter_SetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom, sernum); } public String GetName() { - return net.sourceforge.openbabelJNI.OBResidueIter_GetName(swigCPtr, this); + return openbabelJNI.OBResidueIter_GetName(swigCPtr, this); } public long GetNum() { - return net.sourceforge.openbabelJNI.OBResidueIter_GetNum(swigCPtr, this); + return openbabelJNI.OBResidueIter_GetNum(swigCPtr, this); } public long GetNumAtoms() { - return net.sourceforge.openbabelJNI.OBResidueIter_GetNumAtoms(swigCPtr, this); + return openbabelJNI.OBResidueIter_GetNumAtoms(swigCPtr, this); } public char GetChain() { - return net.sourceforge.openbabelJNI.OBResidueIter_GetChain(swigCPtr, this); + return openbabelJNI.OBResidueIter_GetChain(swigCPtr, this); } public long GetChainNum() { - return net.sourceforge.openbabelJNI.OBResidueIter_GetChainNum(swigCPtr, this); + return openbabelJNI.OBResidueIter_GetChainNum(swigCPtr, this); } public long GetIdx() { - return net.sourceforge.openbabelJNI.OBResidueIter_GetIdx(swigCPtr, this); + return openbabelJNI.OBResidueIter_GetIdx(swigCPtr, this); } public long GetResKey() { - return net.sourceforge.openbabelJNI.OBResidueIter_GetResKey(swigCPtr, this); + return openbabelJNI.OBResidueIter_GetResKey(swigCPtr, this); } public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t GetAtoms() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t(net.sourceforge.openbabelJNI.OBResidueIter_GetAtoms(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t(openbabelJNI.OBResidueIter_GetAtoms(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t GetBonds(boolean exterior) { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(net.sourceforge.openbabelJNI.OBResidueIter_GetBonds__SWIG_0(swigCPtr, this, exterior), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(openbabelJNI.OBResidueIter_GetBonds__SWIG_0(swigCPtr, this, exterior), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t GetBonds() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(net.sourceforge.openbabelJNI.OBResidueIter_GetBonds__SWIG_1(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t(openbabelJNI.OBResidueIter_GetBonds__SWIG_1(swigCPtr, this), true); } public String GetAtomID(OBAtom atom) { - return net.sourceforge.openbabelJNI.OBResidueIter_GetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom); + return openbabelJNI.OBResidueIter_GetAtomID(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public long GetSerialNum(OBAtom atom) { - return net.sourceforge.openbabelJNI.OBResidueIter_GetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom); + return openbabelJNI.OBResidueIter_GetSerialNum(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public boolean GetAminoAcidProperty(int arg0) { - return net.sourceforge.openbabelJNI.OBResidueIter_GetAminoAcidProperty(swigCPtr, this, arg0); + return openbabelJNI.OBResidueIter_GetAminoAcidProperty(swigCPtr, this, arg0); } public boolean GetAtomProperty(OBAtom arg0, int arg1) { - return net.sourceforge.openbabelJNI.OBResidueIter_GetAtomProperty(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); + return openbabelJNI.OBResidueIter_GetAtomProperty(swigCPtr, this, OBAtom.getCPtr(arg0), arg0, arg1); } public boolean GetResidueProperty(int arg0) { - return net.sourceforge.openbabelJNI.OBResidueIter_GetResidueProperty(swigCPtr, this, arg0); + return openbabelJNI.OBResidueIter_GetResidueProperty(swigCPtr, this, arg0); } public boolean IsHetAtom(OBAtom atom) { - return net.sourceforge.openbabelJNI.OBResidueIter_IsHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); + return openbabelJNI.OBResidueIter_IsHetAtom(swigCPtr, this, OBAtom.getCPtr(atom), atom); } public boolean IsResidueType(int arg0) { - return net.sourceforge.openbabelJNI.OBResidueIter_IsResidueType(swigCPtr, this, arg0); + return openbabelJNI.OBResidueIter_IsResidueType(swigCPtr, this, arg0); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator BeginAtoms() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator(openbabelJNI.OBResidueIter_BeginAtoms(swigCPtr, this), true); + } + + public SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator EndAtoms() { + return new SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator(openbabelJNI.OBResidueIter_EndAtoms(swigCPtr, this), true); } public OBAtom BeginAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueIter_BeginAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBResidueIter_BeginAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBAtom NextAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator i) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueIter_NextAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); + long cPtr = openbabelJNI.OBResidueIter_NextAtom(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.getCPtr(i)); return (cPtr == 0) ? null : new OBAtom(cPtr, false); } public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); + long cPtr = openbabelJNI.OBResidueIter_DoTransformations(swigCPtr, this, SWIGTYPE_p_std__mapTstd__string_std__string_t.getCPtr(arg0)); return (cPtr == 0) ? null : new OBBase(cPtr, false); } public String ClassDescription() { - return net.sourceforge.openbabelJNI.OBResidueIter_ClassDescription(swigCPtr, this); + return openbabelJNI.OBResidueIter_ClassDescription(swigCPtr, this); } public boolean HasData(long type) { - return net.sourceforge.openbabelJNI.OBResidueIter_HasData__SWIG_2(swigCPtr, this, type); + return openbabelJNI.OBResidueIter_HasData__SWIG_2(swigCPtr, this, type); } public void DeleteData(long type) { - net.sourceforge.openbabelJNI.OBResidueIter_DeleteData__SWIG_0(swigCPtr, this, type); + openbabelJNI.OBResidueIter_DeleteData__SWIG_0(swigCPtr, this, type); } public void DeleteData(OBGenericData arg0) { - net.sourceforge.openbabelJNI.OBResidueIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); + openbabelJNI.OBResidueIter_DeleteData__SWIG_1(swigCPtr, this, OBGenericData.getCPtr(arg0), arg0); } public void DeleteData(vectorData arg0) { - net.sourceforge.openbabelJNI.OBResidueIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); + openbabelJNI.OBResidueIter_DeleteData__SWIG_2(swigCPtr, this, vectorData.getCPtr(arg0), arg0); } public void SetData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBResidueIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBResidueIter_SetData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public long DataSize() { - return net.sourceforge.openbabelJNI.OBResidueIter_DataSize(swigCPtr, this); + return openbabelJNI.OBResidueIter_DataSize(swigCPtr, this); } public OBGenericData GetData(long type) { - long cPtr = net.sourceforge.openbabelJNI.OBResidueIter_GetData__SWIG_0(swigCPtr, this, type); + long cPtr = openbabelJNI.OBResidueIter_GetData__SWIG_0(swigCPtr, this, type); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBResidueIter_GetData__SWIG_3(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBResidueIter_GetData__SWIG_3(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator BeginData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBResidueIter_BeginData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBResidueIter_BeginData(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator EndData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBResidueIter_EndData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBResidueIter_EndData(swigCPtr, this), true); } } diff --git a/scripts/java/OBRing.java b/scripts/java/OBRing.java index 9db83de0b..cbc4c1591 100644 --- a/scripts/java/OBRing.java +++ b/scripts/java/OBRing.java @@ -27,73 +27,73 @@ public class OBRing { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBRing(swigCPtr); + openbabelJNI.delete_OBRing(swigCPtr); } swigCPtr = 0; } public void set_path(vectorInt value) { - net.sourceforge.openbabelJNI.OBRing__path_set(swigCPtr, this, vectorInt.getCPtr(value), value); + openbabelJNI.OBRing__path_set(swigCPtr, this, vectorInt.getCPtr(value), value); } public vectorInt get_path() { - return new vectorInt(net.sourceforge.openbabelJNI.OBRing__path_get(swigCPtr, this), false); + return new vectorInt(openbabelJNI.OBRing__path_get(swigCPtr, this), false); } public void set_pathset(OBBitVec value) { - net.sourceforge.openbabelJNI.OBRing__pathset_set(swigCPtr, this, OBBitVec.getCPtr(value), value); + openbabelJNI.OBRing__pathset_set(swigCPtr, this, OBBitVec.getCPtr(value), value); } public OBBitVec get_pathset() { - return new OBBitVec(net.sourceforge.openbabelJNI.OBRing__pathset_get(swigCPtr, this), false); + return new OBBitVec(openbabelJNI.OBRing__pathset_get(swigCPtr, this), false); } public boolean findCenterAndNormal(vector3 center, vector3 norm1, vector3 norm2) { - return net.sourceforge.openbabelJNI.OBRing_findCenterAndNormal(swigCPtr, this, vector3.getCPtr(center), center, vector3.getCPtr(norm1), norm1, vector3.getCPtr(norm2), norm2); + return openbabelJNI.OBRing_findCenterAndNormal(swigCPtr, this, vector3.getCPtr(center), center, vector3.getCPtr(norm1), norm1, vector3.getCPtr(norm2), norm2); } public OBRing() { - this(net.sourceforge.openbabelJNI.new_OBRing__SWIG_0(), true); + this(openbabelJNI.new_OBRing__SWIG_0(), true); } public OBRing(vectorInt arg0, int arg1) { - this(net.sourceforge.openbabelJNI.new_OBRing__SWIG_1(vectorInt.getCPtr(arg0), arg0, arg1), true); + this(openbabelJNI.new_OBRing__SWIG_1(vectorInt.getCPtr(arg0), arg0, arg1), true); } public OBRing(OBRing src) { - this(net.sourceforge.openbabelJNI.new_OBRing__SWIG_2(OBRing.getCPtr(src), src), true); + this(openbabelJNI.new_OBRing__SWIG_2(OBRing.getCPtr(src), src), true); } public int Size() { - return net.sourceforge.openbabelJNI.OBRing_Size(swigCPtr, this); + return openbabelJNI.OBRing_Size(swigCPtr, this); } public int PathSize() { - return net.sourceforge.openbabelJNI.OBRing_PathSize(swigCPtr, this); + return openbabelJNI.OBRing_PathSize(swigCPtr, this); } public boolean IsMember(OBAtom a) { - return net.sourceforge.openbabelJNI.OBRing_IsMember__SWIG_0(swigCPtr, this, OBAtom.getCPtr(a), a); + return openbabelJNI.OBRing_IsMember__SWIG_0(swigCPtr, this, OBAtom.getCPtr(a), a); } public boolean IsMember(OBBond b) { - return net.sourceforge.openbabelJNI.OBRing_IsMember__SWIG_1(swigCPtr, this, OBBond.getCPtr(b), b); + return openbabelJNI.OBRing_IsMember__SWIG_1(swigCPtr, this, OBBond.getCPtr(b), b); } public boolean IsAromatic() { - return net.sourceforge.openbabelJNI.OBRing_IsAromatic(swigCPtr, this); + return openbabelJNI.OBRing_IsAromatic(swigCPtr, this); } public boolean IsInRing(int i) { - return net.sourceforge.openbabelJNI.OBRing_IsInRing(swigCPtr, this, i); + return openbabelJNI.OBRing_IsInRing(swigCPtr, this, i); } public void SetParent(OBMol m) { - net.sourceforge.openbabelJNI.OBRing_SetParent(swigCPtr, this, OBMol.getCPtr(m), m); + openbabelJNI.OBRing_SetParent(swigCPtr, this, OBMol.getCPtr(m), m); } public OBMol GetParent() { - long cPtr = net.sourceforge.openbabelJNI.OBRing_GetParent(swigCPtr, this); + long cPtr = openbabelJNI.OBRing_GetParent(swigCPtr, this); return (cPtr == 0) ? null : new OBMol(cPtr, false); } diff --git a/scripts/java/OBRingData.java b/scripts/java/OBRingData.java index a4405d06f..0e9141a96 100644 --- a/scripts/java/OBRingData.java +++ b/scripts/java/OBRingData.java @@ -11,7 +11,7 @@ public class OBRingData extends OBGenericData { private long swigCPtr; protected OBRingData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBRingDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBRingDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,35 +26,35 @@ public class OBRingData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBRingData(swigCPtr); + openbabelJNI.delete_OBRingData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBRingData() { - this(net.sourceforge.openbabelJNI.new_OBRingData__SWIG_0(), true); + this(openbabelJNI.new_OBRingData__SWIG_0(), true); } public OBRingData(OBRingData arg0) { - this(net.sourceforge.openbabelJNI.new_OBRingData__SWIG_1(OBRingData.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBRingData__SWIG_1(OBRingData.getCPtr(arg0), arg0), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBRingData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBRingData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetData(SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t vr) { - net.sourceforge.openbabelJNI.OBRingData_SetData(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t.getCPtr(vr)); + openbabelJNI.OBRingData_SetData(swigCPtr, this, SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t.getCPtr(vr)); } public void PushBack(OBRing r) { - net.sourceforge.openbabelJNI.OBRingData_PushBack(swigCPtr, this, OBRing.getCPtr(r), r); + openbabelJNI.OBRingData_PushBack(swigCPtr, this, OBRing.getCPtr(r), r); } public SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t GetData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t(net.sourceforge.openbabelJNI.OBRingData_GetData(swigCPtr, this), false); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t(openbabelJNI.OBRingData_GetData(swigCPtr, this), false); } } diff --git a/scripts/java/OBRingSearch.java b/scripts/java/OBRingSearch.java index 37c2b6b58..4c0dda51b 100644 --- a/scripts/java/OBRingSearch.java +++ b/scripts/java/OBRingSearch.java @@ -27,41 +27,41 @@ public class OBRingSearch { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBRingSearch(swigCPtr); + openbabelJNI.delete_OBRingSearch(swigCPtr); } swigCPtr = 0; } public OBRingSearch() { - this(net.sourceforge.openbabelJNI.new_OBRingSearch(), true); + this(openbabelJNI.new_OBRingSearch(), true); } public void SortRings() { - net.sourceforge.openbabelJNI.OBRingSearch_SortRings(swigCPtr, this); + openbabelJNI.OBRingSearch_SortRings(swigCPtr, this); } public void RemoveRedundant(int arg0) { - net.sourceforge.openbabelJNI.OBRingSearch_RemoveRedundant(swigCPtr, this, arg0); + openbabelJNI.OBRingSearch_RemoveRedundant(swigCPtr, this, arg0); } public void AddRingFromClosure(OBMol arg0, OBBond arg1) { - net.sourceforge.openbabelJNI.OBRingSearch_AddRingFromClosure(swigCPtr, this, OBMol.getCPtr(arg0), arg0, OBBond.getCPtr(arg1), arg1); + openbabelJNI.OBRingSearch_AddRingFromClosure(swigCPtr, this, OBMol.getCPtr(arg0), arg0, OBBond.getCPtr(arg1), arg1); } public void WriteRings() { - net.sourceforge.openbabelJNI.OBRingSearch_WriteRings(swigCPtr, this); + openbabelJNI.OBRingSearch_WriteRings(swigCPtr, this); } public boolean SaveUniqueRing(SWIGTYPE_p_std__dequeTint_t arg0, SWIGTYPE_p_std__dequeTint_t arg1) { - return net.sourceforge.openbabelJNI.OBRingSearch_SaveUniqueRing(swigCPtr, this, SWIGTYPE_p_std__dequeTint_t.getCPtr(arg0), SWIGTYPE_p_std__dequeTint_t.getCPtr(arg1)); + return openbabelJNI.OBRingSearch_SaveUniqueRing(swigCPtr, this, SWIGTYPE_p_std__dequeTint_t.getCPtr(arg0), SWIGTYPE_p_std__dequeTint_t.getCPtr(arg1)); } public SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator BeginRings() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator(net.sourceforge.openbabelJNI.OBRingSearch_BeginRings(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator(openbabelJNI.OBRingSearch_BeginRings(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator EndRings() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator(net.sourceforge.openbabelJNI.OBRingSearch_EndRings(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator(openbabelJNI.OBRingSearch_EndRings(swigCPtr, this), true); } } diff --git a/scripts/java/OBSSMatch.java b/scripts/java/OBSSMatch.java index 42342d173..ab5e91560 100644 --- a/scripts/java/OBSSMatch.java +++ b/scripts/java/OBSSMatch.java @@ -27,21 +27,21 @@ public class OBSSMatch { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBSSMatch(swigCPtr); + openbabelJNI.delete_OBSSMatch(swigCPtr); } swigCPtr = 0; } public OBSSMatch(OBMol arg0, SWIGTYPE_p_OpenBabel__Pattern arg1) { - this(net.sourceforge.openbabelJNI.new_OBSSMatch(OBMol.getCPtr(arg0), arg0, SWIGTYPE_p_OpenBabel__Pattern.getCPtr(arg1)), true); + this(openbabelJNI.new_OBSSMatch(OBMol.getCPtr(arg0), arg0, SWIGTYPE_p_OpenBabel__Pattern.getCPtr(arg1)), true); } public void Match(vvInt v, int bidx) { - net.sourceforge.openbabelJNI.OBSSMatch_Match__SWIG_0(swigCPtr, this, vvInt.getCPtr(v), v, bidx); + openbabelJNI.OBSSMatch_Match__SWIG_0(swigCPtr, this, vvInt.getCPtr(v), v, bidx); } public void Match(vvInt v) { - net.sourceforge.openbabelJNI.OBSSMatch_Match__SWIG_1(swigCPtr, this, vvInt.getCPtr(v), v); + openbabelJNI.OBSSMatch_Match__SWIG_1(swigCPtr, this, vvInt.getCPtr(v), v); } } diff --git a/scripts/java/OBSerialNums.java b/scripts/java/OBSerialNums.java index 732863421..ff312b16e 100644 --- a/scripts/java/OBSerialNums.java +++ b/scripts/java/OBSerialNums.java @@ -11,7 +11,7 @@ public class OBSerialNums extends OBGenericData { private long swigCPtr; protected OBSerialNums(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBSerialNumsUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBSerialNumsUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,31 +26,31 @@ public class OBSerialNums extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBSerialNums(swigCPtr); + openbabelJNI.delete_OBSerialNums(swigCPtr); } swigCPtr = 0; super.delete(); } public OBSerialNums() { - this(net.sourceforge.openbabelJNI.new_OBSerialNums__SWIG_0(), true); + this(openbabelJNI.new_OBSerialNums__SWIG_0(), true); } public OBSerialNums(OBSerialNums cp) { - this(net.sourceforge.openbabelJNI.new_OBSerialNums__SWIG_1(OBSerialNums.getCPtr(cp), cp), true); + this(openbabelJNI.new_OBSerialNums__SWIG_1(OBSerialNums.getCPtr(cp), cp), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBSerialNums_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBSerialNums_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t GetData() { - return new SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t(net.sourceforge.openbabelJNI.OBSerialNums_GetData(swigCPtr, this), false); + return new SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t(openbabelJNI.OBSerialNums_GetData(swigCPtr, this), false); } public void SetData(SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t sm) { - net.sourceforge.openbabelJNI.OBSerialNums_SetData(swigCPtr, this, SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t.getCPtr(sm)); + openbabelJNI.OBSerialNums_SetData(swigCPtr, this, SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t.getCPtr(sm)); } } diff --git a/scripts/java/OBSetData.java b/scripts/java/OBSetData.java index 65cc86b1c..ef6b60fec 100644 --- a/scripts/java/OBSetData.java +++ b/scripts/java/OBSetData.java @@ -11,7 +11,7 @@ public class OBSetData extends OBGenericData { private long swigCPtr; protected OBSetData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBSetDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBSetDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,48 +26,48 @@ public class OBSetData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBSetData(swigCPtr); + openbabelJNI.delete_OBSetData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBSetData() { - this(net.sourceforge.openbabelJNI.new_OBSetData(), true); + this(openbabelJNI.new_OBSetData(), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBSetData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBSetData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void AddData(OBGenericData d) { - net.sourceforge.openbabelJNI.OBSetData_AddData(swigCPtr, this, OBGenericData.getCPtr(d), d); + openbabelJNI.OBSetData_AddData(swigCPtr, this, OBGenericData.getCPtr(d), d); } public void SetData(vectorData vdata) { - net.sourceforge.openbabelJNI.OBSetData_SetData(swigCPtr, this, vectorData.getCPtr(vdata), vdata); + openbabelJNI.OBSetData_SetData(swigCPtr, this, vectorData.getCPtr(vdata), vdata); } public OBGenericData GetData(String s) { - long cPtr = net.sourceforge.openbabelJNI.OBSetData_GetData__SWIG_0(swigCPtr, this, s); + long cPtr = openbabelJNI.OBSetData_GetData__SWIG_0(swigCPtr, this, s); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public vectorData GetData() { - return new vectorData(net.sourceforge.openbabelJNI.OBSetData_GetData__SWIG_1(swigCPtr, this), false); + return new vectorData(openbabelJNI.OBSetData_GetData__SWIG_2(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator GetBegin() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBSetData_GetBegin(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBSetData_GetBegin(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator GetEnd() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(net.sourceforge.openbabelJNI.OBSetData_GetEnd(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator(openbabelJNI.OBSetData_GetEnd(swigCPtr, this), true); } public void DeleteData(OBGenericData gd) { - net.sourceforge.openbabelJNI.OBSetData_DeleteData(swigCPtr, this, OBGenericData.getCPtr(gd), gd); + openbabelJNI.OBSetData_DeleteData(swigCPtr, this, OBGenericData.getCPtr(gd), gd); } } diff --git a/scripts/java/OBSmartsPattern.java b/scripts/java/OBSmartsPattern.java index 219997af0..d119f3d8f 100644 --- a/scripts/java/OBSmartsPattern.java +++ b/scripts/java/OBSmartsPattern.java @@ -27,105 +27,105 @@ public class OBSmartsPattern { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBSmartsPattern(swigCPtr); + openbabelJNI.delete_OBSmartsPattern(swigCPtr); } swigCPtr = 0; } public OBSmartsPattern() { - this(net.sourceforge.openbabelJNI.new_OBSmartsPattern__SWIG_0(), true); + this(openbabelJNI.new_OBSmartsPattern__SWIG_0(), true); } public OBSmartsPattern(OBSmartsPattern cp) { - this(net.sourceforge.openbabelJNI.new_OBSmartsPattern__SWIG_1(OBSmartsPattern.getCPtr(cp), cp), true); + this(openbabelJNI.new_OBSmartsPattern__SWIG_1(OBSmartsPattern.getCPtr(cp), cp), true); } public long NumMatches() { - return net.sourceforge.openbabelJNI.OBSmartsPattern_NumMatches(swigCPtr, this); + return openbabelJNI.OBSmartsPattern_NumMatches(swigCPtr, this); } public long NumAtoms() { - return net.sourceforge.openbabelJNI.OBSmartsPattern_NumAtoms(swigCPtr, this); + return openbabelJNI.OBSmartsPattern_NumAtoms(swigCPtr, this); } public long NumBonds() { - return net.sourceforge.openbabelJNI.OBSmartsPattern_NumBonds(swigCPtr, this); + return openbabelJNI.OBSmartsPattern_NumBonds(swigCPtr, this); } public int GetAtomicNum(int arg0) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_GetAtomicNum(swigCPtr, this, arg0); + return openbabelJNI.OBSmartsPattern_GetAtomicNum(swigCPtr, this, arg0); } public void GetBond(SWIGTYPE_p_int arg0, SWIGTYPE_p_int arg1, SWIGTYPE_p_int arg2, int arg3) { - net.sourceforge.openbabelJNI.OBSmartsPattern_GetBond(swigCPtr, this, SWIGTYPE_p_int.getCPtr(arg0), SWIGTYPE_p_int.getCPtr(arg1), SWIGTYPE_p_int.getCPtr(arg2), arg3); + openbabelJNI.OBSmartsPattern_GetBond(swigCPtr, this, SWIGTYPE_p_int.getCPtr(arg0), SWIGTYPE_p_int.getCPtr(arg1), SWIGTYPE_p_int.getCPtr(arg2), arg3); } public int GetCharge(int arg0) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_GetCharge(swigCPtr, this, arg0); + return openbabelJNI.OBSmartsPattern_GetCharge(swigCPtr, this, arg0); } public String GetSMARTS() { - return net.sourceforge.openbabelJNI.OBSmartsPattern_GetSMARTS__SWIG_0(swigCPtr, this); + return openbabelJNI.OBSmartsPattern_GetSMARTS__SWIG_0(swigCPtr, this); } public int GetVectorBinding(int idx) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_GetVectorBinding(swigCPtr, this, idx); + return openbabelJNI.OBSmartsPattern_GetVectorBinding(swigCPtr, this, idx); } public boolean Empty() { - return net.sourceforge.openbabelJNI.OBSmartsPattern_Empty(swigCPtr, this); + return openbabelJNI.OBSmartsPattern_Empty(swigCPtr, this); } public boolean IsValid() { - return net.sourceforge.openbabelJNI.OBSmartsPattern_IsValid(swigCPtr, this); + return openbabelJNI.OBSmartsPattern_IsValid(swigCPtr, this); } public boolean Init(String arg0) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_Init__SWIG_0(swigCPtr, this, arg0); + return openbabelJNI.OBSmartsPattern_Init__SWIG_0(swigCPtr, this, arg0); } public void WriteMapList(SWIGTYPE_p_std__ostream arg0) { - net.sourceforge.openbabelJNI.OBSmartsPattern_WriteMapList(swigCPtr, this, SWIGTYPE_p_std__ostream.getCPtr(arg0)); + openbabelJNI.OBSmartsPattern_WriteMapList(swigCPtr, this, SWIGTYPE_p_std__ostream.getCPtr(arg0)); } public boolean Match(OBMol mol, boolean single) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_Match__SWIG_0(swigCPtr, this, OBMol.getCPtr(mol), mol, single); + return openbabelJNI.OBSmartsPattern_Match__SWIG_0(swigCPtr, this, OBMol.getCPtr(mol), mol, single); } public boolean Match(OBMol mol) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_Match__SWIG_1(swigCPtr, this, OBMol.getCPtr(mol), mol); + return openbabelJNI.OBSmartsPattern_Match__SWIG_1(swigCPtr, this, OBMol.getCPtr(mol), mol); } public boolean RestrictedMatch(OBMol mol, SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t pairs, boolean single) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_0(swigCPtr, this, OBMol.getCPtr(mol), mol, SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t.getCPtr(pairs), single); + return openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_0(swigCPtr, this, OBMol.getCPtr(mol), mol, SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t.getCPtr(pairs), single); } public boolean RestrictedMatch(OBMol mol, SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t pairs) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_1(swigCPtr, this, OBMol.getCPtr(mol), mol, SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t.getCPtr(pairs)); + return openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_1(swigCPtr, this, OBMol.getCPtr(mol), mol, SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t.getCPtr(pairs)); } public boolean RestrictedMatch(OBMol mol, OBBitVec bv, boolean single) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_2(swigCPtr, this, OBMol.getCPtr(mol), mol, OBBitVec.getCPtr(bv), bv, single); + return openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_2(swigCPtr, this, OBMol.getCPtr(mol), mol, OBBitVec.getCPtr(bv), bv, single); } public boolean RestrictedMatch(OBMol mol, OBBitVec bv) { - return net.sourceforge.openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_3(swigCPtr, this, OBMol.getCPtr(mol), mol, OBBitVec.getCPtr(bv), bv); + return openbabelJNI.OBSmartsPattern_RestrictedMatch__SWIG_3(swigCPtr, this, OBMol.getCPtr(mol), mol, OBBitVec.getCPtr(bv), bv); } public vvInt GetMapList() { - return new vvInt(net.sourceforge.openbabelJNI.OBSmartsPattern_GetMapList(swigCPtr, this), false); + return new vvInt(openbabelJNI.OBSmartsPattern_GetMapList(swigCPtr, this), false); } public vvInt GetUMapList() { - return new vvInt(net.sourceforge.openbabelJNI.OBSmartsPattern_GetUMapList(swigCPtr, this), false); + return new vvInt(openbabelJNI.OBSmartsPattern_GetUMapList(swigCPtr, this), false); } public SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator BeginMList() { - return new SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator(net.sourceforge.openbabelJNI.OBSmartsPattern_BeginMList(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator(openbabelJNI.OBSmartsPattern_BeginMList(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator EndMList() { - return new SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator(net.sourceforge.openbabelJNI.OBSmartsPattern_EndMList(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator(openbabelJNI.OBSmartsPattern_EndMList(swigCPtr, this), true); } } diff --git a/scripts/java/OBSqrtTbl.java b/scripts/java/OBSqrtTbl.java index becc204e8..388fb1e75 100644 --- a/scripts/java/OBSqrtTbl.java +++ b/scripts/java/OBSqrtTbl.java @@ -27,25 +27,25 @@ public class OBSqrtTbl { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBSqrtTbl(swigCPtr); + openbabelJNI.delete_OBSqrtTbl(swigCPtr); } swigCPtr = 0; } public OBSqrtTbl() { - this(net.sourceforge.openbabelJNI.new_OBSqrtTbl__SWIG_0(), true); + this(openbabelJNI.new_OBSqrtTbl__SWIG_0(), true); } public OBSqrtTbl(double max, double incr) { - this(net.sourceforge.openbabelJNI.new_OBSqrtTbl__SWIG_1(max, incr), true); + this(openbabelJNI.new_OBSqrtTbl__SWIG_1(max, incr), true); } public double Sqrt(double d2) { - return net.sourceforge.openbabelJNI.OBSqrtTbl_Sqrt(swigCPtr, this, d2); + return openbabelJNI.OBSqrtTbl_Sqrt(swigCPtr, this, d2); } public void Init(double max, double incr) { - net.sourceforge.openbabelJNI.OBSqrtTbl_Init(swigCPtr, this, max, incr); + openbabelJNI.OBSqrtTbl_Init(swigCPtr, this, max, incr); } } diff --git a/scripts/java/OBStopwatch.java b/scripts/java/OBStopwatch.java index 737edf54c..f95725070 100644 --- a/scripts/java/OBStopwatch.java +++ b/scripts/java/OBStopwatch.java @@ -27,25 +27,25 @@ public class OBStopwatch { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBStopwatch(swigCPtr); + openbabelJNI.delete_OBStopwatch(swigCPtr); } swigCPtr = 0; } public void Start() { - net.sourceforge.openbabelJNI.OBStopwatch_Start(swigCPtr, this); + openbabelJNI.OBStopwatch_Start(swigCPtr, this); } public double Lap() { - return net.sourceforge.openbabelJNI.OBStopwatch_Lap(swigCPtr, this); + return openbabelJNI.OBStopwatch_Lap(swigCPtr, this); } public double Elapsed() { - return net.sourceforge.openbabelJNI.OBStopwatch_Elapsed(swigCPtr, this); + return openbabelJNI.OBStopwatch_Elapsed(swigCPtr, this); } public OBStopwatch() { - this(net.sourceforge.openbabelJNI.new_OBStopwatch(), true); + this(openbabelJNI.new_OBStopwatch(), true); } } diff --git a/scripts/java/OBSymmetryData.java b/scripts/java/OBSymmetryData.java index da27dc1bd..cd5f2e4a6 100644 --- a/scripts/java/OBSymmetryData.java +++ b/scripts/java/OBSymmetryData.java @@ -11,7 +11,7 @@ public class OBSymmetryData extends OBGenericData { private long swigCPtr; protected OBSymmetryData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBSymmetryDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBSymmetryDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,47 +26,47 @@ public class OBSymmetryData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBSymmetryData(swigCPtr); + openbabelJNI.delete_OBSymmetryData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBSymmetryData() { - this(net.sourceforge.openbabelJNI.new_OBSymmetryData__SWIG_0(), true); + this(openbabelJNI.new_OBSymmetryData__SWIG_0(), true); } public OBSymmetryData(OBSymmetryData arg0) { - this(net.sourceforge.openbabelJNI.new_OBSymmetryData__SWIG_1(OBSymmetryData.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBSymmetryData__SWIG_1(OBSymmetryData.getCPtr(arg0), arg0), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBSymmetryData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBSymmetryData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetData(String pg, String sg) { - net.sourceforge.openbabelJNI.OBSymmetryData_SetData__SWIG_0(swigCPtr, this, pg, sg); + openbabelJNI.OBSymmetryData_SetData__SWIG_0(swigCPtr, this, pg, sg); } public void SetData(String pg) { - net.sourceforge.openbabelJNI.OBSymmetryData_SetData__SWIG_1(swigCPtr, this, pg); + openbabelJNI.OBSymmetryData_SetData__SWIG_1(swigCPtr, this, pg); } public void SetPointGroup(String pg) { - net.sourceforge.openbabelJNI.OBSymmetryData_SetPointGroup(swigCPtr, this, pg); + openbabelJNI.OBSymmetryData_SetPointGroup(swigCPtr, this, pg); } public void SetSpaceGroup(String sg) { - net.sourceforge.openbabelJNI.OBSymmetryData_SetSpaceGroup(swigCPtr, this, sg); + openbabelJNI.OBSymmetryData_SetSpaceGroup(swigCPtr, this, sg); } public String GetPointGroup() { - return net.sourceforge.openbabelJNI.OBSymmetryData_GetPointGroup(swigCPtr, this); + return openbabelJNI.OBSymmetryData_GetPointGroup(swigCPtr, this); } public String GetSpaceGroup() { - return net.sourceforge.openbabelJNI.OBSymmetryData_GetSpaceGroup(swigCPtr, this); + return openbabelJNI.OBSymmetryData_GetSpaceGroup(swigCPtr, this); } } diff --git a/scripts/java/OBTorsion.java b/scripts/java/OBTorsion.java index c4290b4d7..02b954dae 100644 --- a/scripts/java/OBTorsion.java +++ b/scripts/java/OBTorsion.java @@ -27,69 +27,69 @@ public class OBTorsion { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBTorsion(swigCPtr); + openbabelJNI.delete_OBTorsion(swigCPtr); } swigCPtr = 0; } public OBTorsion(OBTorsion arg0) { - this(net.sourceforge.openbabelJNI.new_OBTorsion__SWIG_2(OBTorsion.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBTorsion__SWIG_2(OBTorsion.getCPtr(arg0), arg0), true); } public void Clear() { - net.sourceforge.openbabelJNI.OBTorsion_Clear(swigCPtr, this); + openbabelJNI.OBTorsion_Clear(swigCPtr, this); } public boolean Empty() { - return net.sourceforge.openbabelJNI.OBTorsion_Empty(swigCPtr, this); + return openbabelJNI.OBTorsion_Empty(swigCPtr, this); } public boolean AddTorsion(OBAtom a, OBAtom b, OBAtom c, OBAtom d) { - return net.sourceforge.openbabelJNI.OBTorsion_AddTorsion__SWIG_0(swigCPtr, this, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c, OBAtom.getCPtr(d), d); + return openbabelJNI.OBTorsion_AddTorsion__SWIG_0(swigCPtr, this, OBAtom.getCPtr(a), a, OBAtom.getCPtr(b), b, OBAtom.getCPtr(c), c, OBAtom.getCPtr(d), d); } public boolean AddTorsion(SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t atoms) { - return net.sourceforge.openbabelJNI.OBTorsion_AddTorsion__SWIG_1(swigCPtr, this, SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t.getCPtr(atoms)); + return openbabelJNI.OBTorsion_AddTorsion__SWIG_1(swigCPtr, this, SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t.getCPtr(atoms)); } public boolean SetAngle(double radians, long index) { - return net.sourceforge.openbabelJNI.OBTorsion_SetAngle__SWIG_0(swigCPtr, this, radians, index); + return openbabelJNI.OBTorsion_SetAngle__SWIG_0(swigCPtr, this, radians, index); } public boolean SetAngle(double radians) { - return net.sourceforge.openbabelJNI.OBTorsion_SetAngle__SWIG_1(swigCPtr, this, radians); + return openbabelJNI.OBTorsion_SetAngle__SWIG_1(swigCPtr, this, radians); } public boolean SetData(OBBond arg0) { - return net.sourceforge.openbabelJNI.OBTorsion_SetData(swigCPtr, this, OBBond.getCPtr(arg0), arg0); + return openbabelJNI.OBTorsion_SetData(swigCPtr, this, OBBond.getCPtr(arg0), arg0); } public boolean GetAngle(SWIGTYPE_p_double radians, long index) { - return net.sourceforge.openbabelJNI.OBTorsion_GetAngle__SWIG_0(swigCPtr, this, SWIGTYPE_p_double.getCPtr(radians), index); + return openbabelJNI.OBTorsion_GetAngle__SWIG_0(swigCPtr, this, SWIGTYPE_p_double.getCPtr(radians), index); } public boolean GetAngle(SWIGTYPE_p_double radians) { - return net.sourceforge.openbabelJNI.OBTorsion_GetAngle__SWIG_1(swigCPtr, this, SWIGTYPE_p_double.getCPtr(radians)); + return openbabelJNI.OBTorsion_GetAngle__SWIG_1(swigCPtr, this, SWIGTYPE_p_double.getCPtr(radians)); } public long GetBondIdx() { - return net.sourceforge.openbabelJNI.OBTorsion_GetBondIdx(swigCPtr, this); + return openbabelJNI.OBTorsion_GetBondIdx(swigCPtr, this); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBTorsion_GetSize(swigCPtr, this); + return openbabelJNI.OBTorsion_GetSize(swigCPtr, this); } public SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t GetBC() { - return new SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t(net.sourceforge.openbabelJNI.OBTorsion_GetBC(swigCPtr, this), true); + return new SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t(openbabelJNI.OBTorsion_GetBC(swigCPtr, this), true); } public SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t GetADs() { - return new SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t(net.sourceforge.openbabelJNI.OBTorsion_GetADs(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t(openbabelJNI.OBTorsion_GetADs(swigCPtr, this), true); } public boolean IsProtonRotor() { - return net.sourceforge.openbabelJNI.OBTorsion_IsProtonRotor(swigCPtr, this); + return openbabelJNI.OBTorsion_IsProtonRotor(swigCPtr, this); } } diff --git a/scripts/java/OBTorsionData.java b/scripts/java/OBTorsionData.java index af9fc6d38..f538f7a03 100644 --- a/scripts/java/OBTorsionData.java +++ b/scripts/java/OBTorsionData.java @@ -11,7 +11,7 @@ public class OBTorsionData extends OBGenericData { private long swigCPtr; protected OBTorsionData(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBTorsionDataUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBTorsionDataUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,35 +26,35 @@ public class OBTorsionData extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBTorsionData(swigCPtr); + openbabelJNI.delete_OBTorsionData(swigCPtr); } swigCPtr = 0; super.delete(); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBTorsionData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBTorsionData_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void Clear() { - net.sourceforge.openbabelJNI.OBTorsionData_Clear(swigCPtr, this); + openbabelJNI.OBTorsionData_Clear(swigCPtr, this); } public SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t GetData() { - return new SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t(net.sourceforge.openbabelJNI.OBTorsionData_GetData(swigCPtr, this), true); + return new SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t(openbabelJNI.OBTorsionData_GetData(swigCPtr, this), true); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBTorsionData_GetSize(swigCPtr, this); + return openbabelJNI.OBTorsionData_GetSize(swigCPtr, this); } public void SetData(OBTorsion torsion) { - net.sourceforge.openbabelJNI.OBTorsionData_SetData(swigCPtr, this, OBTorsion.getCPtr(torsion), torsion); + openbabelJNI.OBTorsionData_SetData(swigCPtr, this, OBTorsion.getCPtr(torsion), torsion); } public boolean FillTorsionArray(SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t torsions) { - return net.sourceforge.openbabelJNI.OBTorsionData_FillTorsionArray(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t.getCPtr(torsions)); + return openbabelJNI.OBTorsionData_FillTorsionArray(swigCPtr, this, SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t.getCPtr(torsions)); } } diff --git a/scripts/java/OBTypeTable.java b/scripts/java/OBTypeTable.java index c3fabcfc6..15d501033 100644 --- a/scripts/java/OBTypeTable.java +++ b/scripts/java/OBTypeTable.java @@ -11,7 +11,7 @@ public class OBTypeTable extends OBGlobalDataBase { private long swigCPtr; protected OBTypeTable(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBTypeTableUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBTypeTableUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,46 +26,46 @@ public class OBTypeTable extends OBGlobalDataBase { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBTypeTable(swigCPtr); + openbabelJNI.delete_OBTypeTable(swigCPtr); } swigCPtr = 0; super.delete(); } public OBTypeTable() { - this(net.sourceforge.openbabelJNI.new_OBTypeTable(), true); + this(openbabelJNI.new_OBTypeTable(), true); } public void ParseLine(String arg0) { - net.sourceforge.openbabelJNI.OBTypeTable_ParseLine(swigCPtr, this, arg0); + openbabelJNI.OBTypeTable_ParseLine(swigCPtr, this, arg0); } public long GetSize() { - return net.sourceforge.openbabelJNI.OBTypeTable_GetSize(swigCPtr, this); + return openbabelJNI.OBTypeTable_GetSize(swigCPtr, this); } public boolean SetFromType(String arg0) { - return net.sourceforge.openbabelJNI.OBTypeTable_SetFromType(swigCPtr, this, arg0); + return openbabelJNI.OBTypeTable_SetFromType(swigCPtr, this, arg0); } public boolean SetToType(String arg0) { - return net.sourceforge.openbabelJNI.OBTypeTable_SetToType(swigCPtr, this, arg0); + return openbabelJNI.OBTypeTable_SetToType(swigCPtr, this, arg0); } public boolean Translate(String to, String from) { - return net.sourceforge.openbabelJNI.OBTypeTable_Translate__SWIG_0(swigCPtr, this, to, from); + return openbabelJNI.OBTypeTable_Translate__SWIG_0(swigCPtr, this, to, from); } public boolean Translate(SWIGTYPE_p_std__string to, String from) { - return net.sourceforge.openbabelJNI.OBTypeTable_Translate__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(to), from); + return openbabelJNI.OBTypeTable_Translate__SWIG_1(swigCPtr, this, SWIGTYPE_p_std__string.getCPtr(to), from); } public String GetFromType() { - return net.sourceforge.openbabelJNI.OBTypeTable_GetFromType(swigCPtr, this); + return openbabelJNI.OBTypeTable_GetFromType(swigCPtr, this); } public String GetToType() { - return net.sourceforge.openbabelJNI.OBTypeTable_GetToType(swigCPtr, this); + return openbabelJNI.OBTypeTable_GetToType(swigCPtr, this); } } diff --git a/scripts/java/OBUnitCell.java b/scripts/java/OBUnitCell.java index 734ba5f3a..82ea40561 100644 --- a/scripts/java/OBUnitCell.java +++ b/scripts/java/OBUnitCell.java @@ -11,7 +11,7 @@ public class OBUnitCell extends OBGenericData { private long swigCPtr; protected OBUnitCell(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBUnitCellUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBUnitCellUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,111 +26,111 @@ public class OBUnitCell extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBUnitCell(swigCPtr); + openbabelJNI.delete_OBUnitCell(swigCPtr); } swigCPtr = 0; super.delete(); } public OBUnitCell() { - this(net.sourceforge.openbabelJNI.new_OBUnitCell__SWIG_0(), true); + this(openbabelJNI.new_OBUnitCell__SWIG_0(), true); } public OBUnitCell(OBUnitCell arg0) { - this(net.sourceforge.openbabelJNI.new_OBUnitCell__SWIG_1(OBUnitCell.getCPtr(arg0), arg0), true); + this(openbabelJNI.new_OBUnitCell__SWIG_1(OBUnitCell.getCPtr(arg0), arg0), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBUnitCell_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBUnitCell_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void SetData(double a, double b, double c, double alpha, double beta, double gamma) { - net.sourceforge.openbabelJNI.OBUnitCell_SetData__SWIG_0(swigCPtr, this, a, b, c, alpha, beta, gamma); + openbabelJNI.OBUnitCell_SetData__SWIG_0(swigCPtr, this, a, b, c, alpha, beta, gamma); } public void SetData(vector3 v1, vector3 v2, vector3 v3) { - net.sourceforge.openbabelJNI.OBUnitCell_SetData__SWIG_1(swigCPtr, this, vector3.getCPtr(v1), v1, vector3.getCPtr(v2), v2, vector3.getCPtr(v3), v3); + openbabelJNI.OBUnitCell_SetData__SWIG_1(swigCPtr, this, vector3.getCPtr(v1), v1, vector3.getCPtr(v2), v2, vector3.getCPtr(v3), v3); } public void SetOffset(vector3 v1) { - net.sourceforge.openbabelJNI.OBUnitCell_SetOffset(swigCPtr, this, vector3.getCPtr(v1), v1); + openbabelJNI.OBUnitCell_SetOffset(swigCPtr, this, vector3.getCPtr(v1), v1); } public void SetSpaceGroup(String sg) { - net.sourceforge.openbabelJNI.OBUnitCell_SetSpaceGroup__SWIG_0(swigCPtr, this, sg); + openbabelJNI.OBUnitCell_SetSpaceGroup__SWIG_0(swigCPtr, this, sg); } public void SetSpaceGroup(int sg) { - net.sourceforge.openbabelJNI.OBUnitCell_SetSpaceGroup__SWIG_1(swigCPtr, this, sg); + openbabelJNI.OBUnitCell_SetSpaceGroup__SWIG_1(swigCPtr, this, sg); } public void SetLatticeType(OBUnitCell.LatticeType lt) { - net.sourceforge.openbabelJNI.OBUnitCell_SetLatticeType(swigCPtr, this, lt.swigValue()); + openbabelJNI.OBUnitCell_SetLatticeType(swigCPtr, this, lt.swigValue()); } public double GetA() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetA(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetA(swigCPtr, this); } public double GetB() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetB(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetB(swigCPtr, this); } public double GetC() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetC(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetC(swigCPtr, this); } public double GetAlpha() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetAlpha(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetAlpha(swigCPtr, this); } public double GetBeta() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetBeta(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetBeta(swigCPtr, this); } public double GetGamma() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetGamma(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetGamma(swigCPtr, this); } public vector3 GetOffset() { - return new vector3(net.sourceforge.openbabelJNI.OBUnitCell_GetOffset(swigCPtr, this), true); + return new vector3(openbabelJNI.OBUnitCell_GetOffset(swigCPtr, this), true); } public String GetSpaceGroup() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetSpaceGroup(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetSpaceGroup(swigCPtr, this); } public OBUnitCell.LatticeType GetLatticeType(int spacegroup) { - return OBUnitCell.LatticeType.swigToEnum(net.sourceforge.openbabelJNI.OBUnitCell_GetLatticeType__SWIG_0(swigCPtr, this, spacegroup)); + return OBUnitCell.LatticeType.swigToEnum(openbabelJNI.OBUnitCell_GetLatticeType__SWIG_0(swigCPtr, this, spacegroup)); } public OBUnitCell.LatticeType GetLatticeType() { - return OBUnitCell.LatticeType.swigToEnum(net.sourceforge.openbabelJNI.OBUnitCell_GetLatticeType__SWIG_1(swigCPtr, this)); + return OBUnitCell.LatticeType.swigToEnum(openbabelJNI.OBUnitCell_GetLatticeType__SWIG_1(swigCPtr, this)); } public vVector3 GetCellVectors() { - return new vVector3(net.sourceforge.openbabelJNI.OBUnitCell_GetCellVectors(swigCPtr, this), true); + return new vVector3(openbabelJNI.OBUnitCell_GetCellVectors(swigCPtr, this), true); } public matrix3x3 GetCellMatrix() { - return new matrix3x3(net.sourceforge.openbabelJNI.OBUnitCell_GetCellMatrix(swigCPtr, this), true); + return new matrix3x3(openbabelJNI.OBUnitCell_GetCellMatrix(swigCPtr, this), true); } public matrix3x3 GetOrthoMatrix() { - return new matrix3x3(net.sourceforge.openbabelJNI.OBUnitCell_GetOrthoMatrix(swigCPtr, this), true); + return new matrix3x3(openbabelJNI.OBUnitCell_GetOrthoMatrix(swigCPtr, this), true); } public matrix3x3 GetFractionalMatrix() { - return new matrix3x3(net.sourceforge.openbabelJNI.OBUnitCell_GetFractionalMatrix(swigCPtr, this), true); + return new matrix3x3(openbabelJNI.OBUnitCell_GetFractionalMatrix(swigCPtr, this), true); } public int GetSpaceGroupNumber(String name) { - return net.sourceforge.openbabelJNI.OBUnitCell_GetSpaceGroupNumber(swigCPtr, this, name); + return openbabelJNI.OBUnitCell_GetSpaceGroupNumber(swigCPtr, this, name); } public double GetCellVolume() { - return net.sourceforge.openbabelJNI.OBUnitCell_GetCellVolume(swigCPtr, this); + return openbabelJNI.OBUnitCell_GetCellVolume(swigCPtr, this); } public final static class LatticeType { diff --git a/scripts/java/OBVirtualBond.java b/scripts/java/OBVirtualBond.java index 2aaea3a94..0f7042a4c 100644 --- a/scripts/java/OBVirtualBond.java +++ b/scripts/java/OBVirtualBond.java @@ -11,7 +11,7 @@ public class OBVirtualBond extends OBGenericData { private long swigCPtr; protected OBVirtualBond(long cPtr, boolean cMemoryOwn) { - super(net.sourceforge.openbabelJNI.SWIGOBVirtualBondUpcast(cPtr), cMemoryOwn); + super(openbabelJNI.SWIGOBVirtualBondUpcast(cPtr), cMemoryOwn); swigCPtr = cPtr; } @@ -26,43 +26,43 @@ public class OBVirtualBond extends OBGenericData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_OBVirtualBond(swigCPtr); + openbabelJNI.delete_OBVirtualBond(swigCPtr); } swigCPtr = 0; super.delete(); } public OBVirtualBond() { - this(net.sourceforge.openbabelJNI.new_OBVirtualBond__SWIG_0(), true); + this(openbabelJNI.new_OBVirtualBond__SWIG_0(), true); } public OBGenericData Clone(OBBase arg0) { - long cPtr = net.sourceforge.openbabelJNI.OBVirtualBond_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); + long cPtr = openbabelJNI.OBVirtualBond_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public OBVirtualBond(int arg0, int arg1, int arg2, int stereo) { - this(net.sourceforge.openbabelJNI.new_OBVirtualBond__SWIG_1(arg0, arg1, arg2, stereo), true); + this(openbabelJNI.new_OBVirtualBond__SWIG_1(arg0, arg1, arg2, stereo), true); } public OBVirtualBond(int arg0, int arg1, int arg2) { - this(net.sourceforge.openbabelJNI.new_OBVirtualBond__SWIG_2(arg0, arg1, arg2), true); + this(openbabelJNI.new_OBVirtualBond__SWIG_2(arg0, arg1, arg2), true); } public int GetBgn() { - return net.sourceforge.openbabelJNI.OBVirtualBond_GetBgn(swigCPtr, this); + return openbabelJNI.OBVirtualBond_GetBgn(swigCPtr, this); } public int GetEnd() { - return net.sourceforge.openbabelJNI.OBVirtualBond_GetEnd(swigCPtr, this); + return openbabelJNI.OBVirtualBond_GetEnd(swigCPtr, this); } public int GetOrder() { - return net.sourceforge.openbabelJNI.OBVirtualBond_GetOrder(swigCPtr, this); + return openbabelJNI.OBVirtualBond_GetOrder(swigCPtr, this); } public int GetStereo() { - return net.sourceforge.openbabelJNI.OBVirtualBond_GetStereo(swigCPtr, this); + return openbabelJNI.OBVirtualBond_GetStereo(swigCPtr, this); } } diff --git a/scripts/java/net.sourceforge.openbabel.java b/scripts/java/net.sourceforge.openbabel.java deleted file mode 100644 index 24a774fd7..000000000 --- a/scripts/java/net.sourceforge.openbabel.java +++ /dev/null @@ -1,709 +0,0 @@ -/* ---------------------------------------------------------------------------- - * This file was automatically generated by SWIG (http://www.swig.org). - * Version 1.3.30 - * - * Do not make changes to this file unless you know what you are doing--modify - * the SWIG interface file instead. - * ----------------------------------------------------------------------------- */ - - -public class net.sourceforge.openbabel implements net.sourceforge.openbabelConstants { - public static String OpenDatafile(SWIGTYPE_p_std__ifstream fs, String filename) { - return net.sourceforge.openbabelJNI.OpenDatafile(SWIGTYPE_p_std__ifstream.getCPtr(fs), filename); - } - - public static void DoubleMultiply(long arg0, long arg1, DoubleType arg2) { - net.sourceforge.openbabelJNI.DoubleMultiply(arg0, arg1, DoubleType.getCPtr(arg2), arg2); - } - - public static void DoubleAdd(DoubleType arg0, long arg1) { - net.sourceforge.openbabelJNI.DoubleAdd(DoubleType.getCPtr(arg0), arg0, arg1); - } - - public static long DoubleModulus(DoubleType arg0, long arg1) { - return net.sourceforge.openbabelJNI.DoubleModulus(DoubleType.getCPtr(arg0), arg0, arg1); - } - - public static double Point2Plane(vector3 a, vector3 b, vector3 c, vector3 d) { - return net.sourceforge.openbabelJNI.Point2Plane(vector3.getCPtr(a), a, vector3.getCPtr(b), b, vector3.getCPtr(c), c, vector3.getCPtr(d), d); - } - - public static vector3 getVZero() { - return new vector3(net.sourceforge.openbabelJNI.VZero_get(), false); - } - - public static vector3 getVX() { - return new vector3(net.sourceforge.openbabelJNI.VX_get(), false); - } - - public static vector3 getVY() { - return new vector3(net.sourceforge.openbabelJNI.VY_get(), false); - } - - public static vector3 getVZ() { - return new vector3(net.sourceforge.openbabelJNI.VZ_get(), false); - } - - public static SWIGTYPE_p_std__string Trim(SWIGTYPE_p_std__string txt) { - return new SWIGTYPE_p_std__string(net.sourceforge.openbabelJNI.Trim(SWIGTYPE_p_std__string.getCPtr(txt)), false); - } - - public static long getUndefinedData() { - return net.sourceforge.openbabelJNI.UndefinedData_get(); - } - - public static long getPairData() { - return net.sourceforge.openbabelJNI.PairData_get(); - } - - public static long getEnergyData() { - return net.sourceforge.openbabelJNI.EnergyData_get(); - } - - public static long getCommentData() { - return net.sourceforge.openbabelJNI.CommentData_get(); - } - - public static long getConformerData() { - return net.sourceforge.openbabelJNI.ConformerData_get(); - } - - public static long getExternalBondData() { - return net.sourceforge.openbabelJNI.ExternalBondData_get(); - } - - public static long getRotamerList() { - return net.sourceforge.openbabelJNI.RotamerList_get(); - } - - public static long getVirtualBondData() { - return net.sourceforge.openbabelJNI.VirtualBondData_get(); - } - - public static long getRingData() { - return net.sourceforge.openbabelJNI.RingData_get(); - } - - public static long getTorsionData() { - return net.sourceforge.openbabelJNI.TorsionData_get(); - } - - public static long getAngleData() { - return net.sourceforge.openbabelJNI.AngleData_get(); - } - - public static long getSerialNums() { - return net.sourceforge.openbabelJNI.SerialNums_get(); - } - - public static long getUnitCell() { - return net.sourceforge.openbabelJNI.UnitCell_get(); - } - - public static long getSpinData() { - return net.sourceforge.openbabelJNI.SpinData_get(); - } - - public static long getChargeData() { - return net.sourceforge.openbabelJNI.ChargeData_get(); - } - - public static long getSymmetryData() { - return net.sourceforge.openbabelJNI.SymmetryData_get(); - } - - public static long getChiralData() { - return net.sourceforge.openbabelJNI.ChiralData_get(); - } - - public static long getOccupationData() { - return net.sourceforge.openbabelJNI.OccupationData_get(); - } - - public static long getDensityData() { - return net.sourceforge.openbabelJNI.DensityData_get(); - } - - public static long getElectronicData() { - return net.sourceforge.openbabelJNI.ElectronicData_get(); - } - - public static long getVibrationData() { - return net.sourceforge.openbabelJNI.VibrationData_get(); - } - - public static long getRotationData() { - return net.sourceforge.openbabelJNI.RotationData_get(); - } - - public static long getNuclearData() { - return net.sourceforge.openbabelJNI.NuclearData_get(); - } - - public static long getSetData() { - return net.sourceforge.openbabelJNI.SetData_get(); - } - - public static long getCustomData0() { - return net.sourceforge.openbabelJNI.CustomData0_get(); - } - - public static long getCustomData1() { - return net.sourceforge.openbabelJNI.CustomData1_get(); - } - - public static long getCustomData2() { - return net.sourceforge.openbabelJNI.CustomData2_get(); - } - - public static long getCustomData3() { - return net.sourceforge.openbabelJNI.CustomData3_get(); - } - - public static long getCustomData4() { - return net.sourceforge.openbabelJNI.CustomData4_get(); - } - - public static long getCustomData5() { - return net.sourceforge.openbabelJNI.CustomData5_get(); - } - - public static long getCustomData6() { - return net.sourceforge.openbabelJNI.CustomData6_get(); - } - - public static long getCustomData7() { - return net.sourceforge.openbabelJNI.CustomData7_get(); - } - - public static long getCustomData8() { - return net.sourceforge.openbabelJNI.CustomData8_get(); - } - - public static long getCustomData9() { - return net.sourceforge.openbabelJNI.CustomData9_get(); - } - - public static long getCustomData10() { - return net.sourceforge.openbabelJNI.CustomData10_get(); - } - - public static long getCustomData11() { - return net.sourceforge.openbabelJNI.CustomData11_get(); - } - - public static long getCustomData12() { - return net.sourceforge.openbabelJNI.CustomData12_get(); - } - - public static long getCustomData13() { - return net.sourceforge.openbabelJNI.CustomData13_get(); - } - - public static long getCustomData14() { - return net.sourceforge.openbabelJNI.CustomData14_get(); - } - - public static long getCustomData15() { - return net.sourceforge.openbabelJNI.CustomData15_get(); - } - - public static void setObErrorLog(OBMessageHandler value) { - net.sourceforge.openbabelJNI.obErrorLog_set(OBMessageHandler.getCPtr(value), value); - } - - public static OBMessageHandler getObErrorLog() { - return new OBMessageHandler(net.sourceforge.openbabelJNI.obErrorLog_get(), false); - } - - public static long getACIDIC() { - return net.sourceforge.openbabelJNI.ACIDIC_get(); - } - - public static long getACYCLIC() { - return net.sourceforge.openbabelJNI.ACYCLIC_get(); - } - - public static long getALIPHATIC() { - return net.sourceforge.openbabelJNI.ALIPHATIC_get(); - } - - public static long getAROMATIC() { - return net.sourceforge.openbabelJNI.AROMATIC_get(); - } - - public static long getBASIC() { - return net.sourceforge.openbabelJNI.BASIC_get(); - } - - public static long getBURIED() { - return net.sourceforge.openbabelJNI.BURIED_get(); - } - - public static long getCHARGED() { - return net.sourceforge.openbabelJNI.CHARGED_get(); - } - - public static long getCYCLIC() { - return net.sourceforge.openbabelJNI.CYCLIC_get(); - } - - public static long getHYDROPHOBIC() { - return net.sourceforge.openbabelJNI.HYDROPHOBIC_get(); - } - - public static long getLARGE() { - return net.sourceforge.openbabelJNI.LARGE_get(); - } - - public static long getMEDIUM() { - return net.sourceforge.openbabelJNI.MEDIUM_get(); - } - - public static long getNEGATIVE() { - return net.sourceforge.openbabelJNI.NEGATIVE_get(); - } - - public static long getNEUTRAL() { - return net.sourceforge.openbabelJNI.NEUTRAL_get(); - } - - public static long getPOLAR() { - return net.sourceforge.openbabelJNI.POLAR_get(); - } - - public static long getPOSITIVE() { - return net.sourceforge.openbabelJNI.POSITIVE_get(); - } - - public static long getSMALL() { - return net.sourceforge.openbabelJNI.SMALL_get(); - } - - public static long getSURFACE() { - return net.sourceforge.openbabelJNI.SURFACE_get(); - } - - public static long getALPHA_CARBON() { - return net.sourceforge.openbabelJNI.ALPHA_CARBON_get(); - } - - public static long getAMINO_BACKBONE() { - return net.sourceforge.openbabelJNI.AMINO_BACKBONE_get(); - } - - public static long getBACKBONE() { - return net.sourceforge.openbabelJNI.BACKBONE_get(); - } - - public static long getCYSTEINE_SULPHUR() { - return net.sourceforge.openbabelJNI.CYSTEINE_SULPHUR_get(); - } - - public static long getLIGAND() { - return net.sourceforge.openbabelJNI.LIGAND_get(); - } - - public static long getNUCLEIC_BACKBONE() { - return net.sourceforge.openbabelJNI.NUCLEIC_BACKBONE_get(); - } - - public static long getSHAPELY_BACKBONE() { - return net.sourceforge.openbabelJNI.SHAPELY_BACKBONE_get(); - } - - public static long getSHAPELY_SPECIAL() { - return net.sourceforge.openbabelJNI.SHAPELY_SPECIAL_get(); - } - - public static long getSIDECHAIN() { - return net.sourceforge.openbabelJNI.SIDECHAIN_get(); - } - - public static long getSUGAR_PHOSPHATE() { - return net.sourceforge.openbabelJNI.SUGAR_PHOSPHATE_get(); - } - - public static long getALA() { - return net.sourceforge.openbabelJNI.ALA_get(); - } - - public static long getGLY() { - return net.sourceforge.openbabelJNI.GLY_get(); - } - - public static long getLEU() { - return net.sourceforge.openbabelJNI.LEU_get(); - } - - public static long getSER() { - return net.sourceforge.openbabelJNI.SER_get(); - } - - public static long getVAL() { - return net.sourceforge.openbabelJNI.VAL_get(); - } - - public static long getTHR() { - return net.sourceforge.openbabelJNI.THR_get(); - } - - public static long getLYS() { - return net.sourceforge.openbabelJNI.LYS_get(); - } - - public static long getASP() { - return net.sourceforge.openbabelJNI.ASP_get(); - } - - public static long getILE() { - return net.sourceforge.openbabelJNI.ILE_get(); - } - - public static long getASN() { - return net.sourceforge.openbabelJNI.ASN_get(); - } - - public static long getGLU() { - return net.sourceforge.openbabelJNI.GLU_get(); - } - - public static long getPRO() { - return net.sourceforge.openbabelJNI.PRO_get(); - } - - public static long getARG() { - return net.sourceforge.openbabelJNI.ARG_get(); - } - - public static long getPHE() { - return net.sourceforge.openbabelJNI.PHE_get(); - } - - public static long getGLN() { - return net.sourceforge.openbabelJNI.GLN_get(); - } - - public static long getTYR() { - return net.sourceforge.openbabelJNI.TYR_get(); - } - - public static long getHIS() { - return net.sourceforge.openbabelJNI.HIS_get(); - } - - public static long getCYS() { - return net.sourceforge.openbabelJNI.CYS_get(); - } - - public static long getMET() { - return net.sourceforge.openbabelJNI.MET_get(); - } - - public static long getTRP() { - return net.sourceforge.openbabelJNI.TRP_get(); - } - - public static long getASX() { - return net.sourceforge.openbabelJNI.ASX_get(); - } - - public static long getGLX() { - return net.sourceforge.openbabelJNI.GLX_get(); - } - - public static long getPCA() { - return net.sourceforge.openbabelJNI.PCA_get(); - } - - public static long getHYP() { - return net.sourceforge.openbabelJNI.HYP_get(); - } - - public static long getA() { - return net.sourceforge.openbabelJNI.A_get(); - } - - public static long getC() { - return net.sourceforge.openbabelJNI.C_get(); - } - - public static long getG() { - return net.sourceforge.openbabelJNI.G_get(); - } - - public static long getT() { - return net.sourceforge.openbabelJNI.T_get(); - } - - public static long getU() { - return net.sourceforge.openbabelJNI.U_get(); - } - - public static long getUPLUS() { - return net.sourceforge.openbabelJNI.UPLUS_get(); - } - - public static long getI() { - return net.sourceforge.openbabelJNI.I_get(); - } - - public static long getOMC() { - return net.sourceforge.openbabelJNI.OMC_get(); - } - - public static long getM2G() { - return net.sourceforge.openbabelJNI.M2G_get(); - } - - public static long getOMG() { - return net.sourceforge.openbabelJNI.OMG_get(); - } - - public static long getYG() { - return net.sourceforge.openbabelJNI.YG_get(); - } - - public static long getH2U() { - return net.sourceforge.openbabelJNI.H2U_get(); - } - - public static long getPSU() { - return net.sourceforge.openbabelJNI.PSU_get(); - } - - public static long getUNK() { - return net.sourceforge.openbabelJNI.UNK_get(); - } - - public static long getACE() { - return net.sourceforge.openbabelJNI.ACE_get(); - } - - public static long getFOR() { - return net.sourceforge.openbabelJNI.FOR_get(); - } - - public static long getHOH() { - return net.sourceforge.openbabelJNI.HOH_get(); - } - - public static long getDOD() { - return net.sourceforge.openbabelJNI.DOD_get(); - } - - public static long getSO4() { - return net.sourceforge.openbabelJNI.SO4_get(); - } - - public static long getPO4() { - return net.sourceforge.openbabelJNI.PO4_get(); - } - - public static long getNAD() { - return net.sourceforge.openbabelJNI.NAD_get(); - } - - public static long getCOA() { - return net.sourceforge.openbabelJNI.COA_get(); - } - - public static long getNAP() { - return net.sourceforge.openbabelJNI.NAP_get(); - } - - public static long getNDP() { - return net.sourceforge.openbabelJNI.NDP_get(); - } - - public static long getAMINO() { - return net.sourceforge.openbabelJNI.AMINO_get(); - } - - public static long getAMINO_NUCLEO() { - return net.sourceforge.openbabelJNI.AMINO_NUCLEO_get(); - } - - public static long getCOENZYME() { - return net.sourceforge.openbabelJNI.COENZYME_get(); - } - - public static long getION() { - return net.sourceforge.openbabelJNI.ION_get(); - } - - public static long getNUCLEO() { - return net.sourceforge.openbabelJNI.NUCLEO_get(); - } - - public static long getPROTEIN() { - return net.sourceforge.openbabelJNI.PROTEIN_get(); - } - - public static long getPURINE() { - return net.sourceforge.openbabelJNI.PURINE_get(); - } - - public static long getPYRIMIDINE() { - return net.sourceforge.openbabelJNI.PYRIMIDINE_get(); - } - - public static long getSOLVENT() { - return net.sourceforge.openbabelJNI.SOLVENT_get(); - } - - public static long getWATER() { - return net.sourceforge.openbabelJNI.WATER_get(); - } - - public static void setResidue(SWIGTYPE_p_a_4__char value) { - net.sourceforge.openbabelJNI.Residue_set(SWIGTYPE_p_a_4__char.getCPtr(value)); - } - - public static SWIGTYPE_p_a_4__char getResidue() { - long cPtr = net.sourceforge.openbabelJNI.Residue_get(); - return (cPtr == 0) ? null : new SWIGTYPE_p_a_4__char(cPtr, false); - } - - public static void setElemDesc(SWIGTYPE_p_a_4__char value) { - net.sourceforge.openbabelJNI.ElemDesc_set(SWIGTYPE_p_a_4__char.getCPtr(value)); - } - - public static SWIGTYPE_p_a_4__char getElemDesc() { - long cPtr = net.sourceforge.openbabelJNI.ElemDesc_get(); - return (cPtr == 0) ? null : new SWIGTYPE_p_a_4__char(cPtr, false); - } - - public static void setResNo(long value) { - net.sourceforge.openbabelJNI.ResNo_set(value); - } - - public static long getResNo() { - return net.sourceforge.openbabelJNI.ResNo_get(); - } - - public static void setElemNo(long value) { - net.sourceforge.openbabelJNI.ElemNo_set(value); - } - - public static long getElemNo() { - return net.sourceforge.openbabelJNI.ElemNo_get(); - } - - public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, String buf, String delimstr) { - return net.sourceforge.openbabelJNI.tokenize__SWIG_0(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), buf, delimstr); - } - - public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, String buf) { - return net.sourceforge.openbabelJNI.tokenize__SWIG_1(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), buf); - } - - public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, SWIGTYPE_p_std__string arg1, String delimstr, int limit) { - return net.sourceforge.openbabelJNI.tokenize__SWIG_2(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), SWIGTYPE_p_std__string.getCPtr(arg1), delimstr, limit); - } - - public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, SWIGTYPE_p_std__string arg1, String delimstr) { - return net.sourceforge.openbabelJNI.tokenize__SWIG_3(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), SWIGTYPE_p_std__string.getCPtr(arg1), delimstr); - } - - public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, SWIGTYPE_p_std__string arg1) { - return net.sourceforge.openbabelJNI.tokenize__SWIG_4(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), SWIGTYPE_p_std__string.getCPtr(arg1)); - } - - public static void ThrowError(SWIGTYPE_p_std__string str) { - net.sourceforge.openbabelJNI.ThrowError__SWIG_1(SWIGTYPE_p_std__string.getCPtr(str)); - } - - public static void CartesianToInternal(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t arg0, OBMol arg1) { - net.sourceforge.openbabelJNI.CartesianToInternal(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t.getCPtr(arg0), OBMol.getCPtr(arg1), arg1); - } - - public static void InternalToCartesian(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t arg0, OBMol arg1) { - net.sourceforge.openbabelJNI.InternalToCartesian(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t.getCPtr(arg0), OBMol.getCPtr(arg1), arg1); - } - - public static String NewExtension(SWIGTYPE_p_std__string arg0, String arg1) { - return net.sourceforge.openbabelJNI.NewExtension(SWIGTYPE_p_std__string.getCPtr(arg0), arg1); - } - - public static void setEtab(OBElementTable value) { - net.sourceforge.openbabelJNI.etab_set(OBElementTable.getCPtr(value), value); - } - - public static OBElementTable getEtab() { - return new OBElementTable(net.sourceforge.openbabelJNI.etab_get(), false); - } - - public static void setTtab(OBTypeTable value) { - net.sourceforge.openbabelJNI.ttab_set(OBTypeTable.getCPtr(value), value); - } - - public static OBTypeTable getTtab() { - return new OBTypeTable(net.sourceforge.openbabelJNI.ttab_get(), false); - } - - public static void setIsotab(OBIsotopeTable value) { - net.sourceforge.openbabelJNI.isotab_set(OBIsotopeTable.getCPtr(value), value); - } - - public static OBIsotopeTable getIsotab() { - return new OBIsotopeTable(net.sourceforge.openbabelJNI.isotab_get(), false); - } - - public static void setAromtyper(OBAromaticTyper value) { - net.sourceforge.openbabelJNI.aromtyper_set(OBAromaticTyper.getCPtr(value), value); - } - - public static OBAromaticTyper getAromtyper() { - return new OBAromaticTyper(net.sourceforge.openbabelJNI.aromtyper_get(), false); - } - - public static void setAtomtyper(OBAtomTyper value) { - net.sourceforge.openbabelJNI.atomtyper_set(OBAtomTyper.getCPtr(value), value); - } - - public static OBAtomTyper getAtomtyper() { - return new OBAtomTyper(net.sourceforge.openbabelJNI.atomtyper_get(), false); - } - - public static void setChainsparser(OBChainsParser value) { - net.sourceforge.openbabelJNI.chainsparser_set(OBChainsParser.getCPtr(value), value); - } - - public static OBChainsParser getChainsparser() { - return new OBChainsParser(net.sourceforge.openbabelJNI.chainsparser_get(), false); - } - - public static void setResdat(OBResidueData value) { - net.sourceforge.openbabelJNI.resdat_set(OBResidueData.getCPtr(value), value); - } - - public static OBResidueData getResdat() { - return new OBResidueData(net.sourceforge.openbabelJNI.resdat_get(), false); - } - - public static void get_rmat(SWIGTYPE_p_double arg0, SWIGTYPE_p_double arg1, SWIGTYPE_p_double arg2, int arg3) { - net.sourceforge.openbabelJNI.get_rmat(SWIGTYPE_p_double.getCPtr(arg0), SWIGTYPE_p_double.getCPtr(arg1), SWIGTYPE_p_double.getCPtr(arg2), arg3); - } - - public static void ob_make_rmat(SWIGTYPE_p_a_3__double mat, SWIGTYPE_p_double rmat) { - net.sourceforge.openbabelJNI.ob_make_rmat(SWIGTYPE_p_a_3__double.getCPtr(mat), SWIGTYPE_p_double.getCPtr(rmat)); - } - - public static void qtrfit(SWIGTYPE_p_double r, SWIGTYPE_p_double f, int size, SWIGTYPE_p_a_3__double u) { - net.sourceforge.openbabelJNI.qtrfit(SWIGTYPE_p_double.getCPtr(r), SWIGTYPE_p_double.getCPtr(f), size, SWIGTYPE_p_a_3__double.getCPtr(u)); - } - - public static double superimpose(SWIGTYPE_p_double arg0, SWIGTYPE_p_double arg1, int arg2) { - return net.sourceforge.openbabelJNI.superimpose(SWIGTYPE_p_double.getCPtr(arg0), SWIGTYPE_p_double.getCPtr(arg1), arg2); - } - - public static boolean CompareRingSize(OBRing arg0, OBRing arg1) { - return net.sourceforge.openbabelJNI.CompareRingSize(OBRing.getCPtr(arg0), arg0, OBRing.getCPtr(arg1), arg1); - } - - public static void SmartsLexReplace(SWIGTYPE_p_std__string arg0, SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t arg1) { - net.sourceforge.openbabelJNI.SmartsLexReplace(SWIGTYPE_p_std__string.getCPtr(arg0), SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t.getCPtr(arg1)); - } - -} diff --git a/scripts/java/net.sourceforge.openbabelConstants.java b/scripts/java/net.sourceforge.openbabelConstants.java deleted file mode 100644 index 2c2bcaddc..000000000 --- a/scripts/java/net.sourceforge.openbabelConstants.java +++ /dev/null @@ -1,88 +0,0 @@ -/* ---------------------------------------------------------------------------- - * This file was automatically generated by SWIG (http://www.swig.org). - * Version 1.3.30 - * - * Do not make changes to this file unless you know what you are doing--modify - * the SWIG interface file instead. - * ----------------------------------------------------------------------------- */ - - -public interface net.sourceforge.openbabelConstants { - public final static String FILE_SEP_CHAR = net.sourceforge.openbabelJNI.FILE_SEP_CHAR_get(); - public final static double PI = net.sourceforge.openbabelJNI.PI_get(); - public final static double RAD_TO_DEG = net.sourceforge.openbabelJNI.RAD_TO_DEG_get(); - public final static double DEG_TO_RAD = net.sourceforge.openbabelJNI.DEG_TO_RAD_get(); - public final static int NOTREADABLE = net.sourceforge.openbabelJNI.NOTREADABLE_get(); - public final static int READONEONLY = net.sourceforge.openbabelJNI.READONEONLY_get(); - public final static int READBINARY = net.sourceforge.openbabelJNI.READBINARY_get(); - public final static int ZEROATOMSOK = net.sourceforge.openbabelJNI.ZEROATOMSOK_get(); - public final static int NOTWRITABLE = net.sourceforge.openbabelJNI.NOTWRITABLE_get(); - public final static int WRITEONEONLY = net.sourceforge.openbabelJNI.WRITEONEONLY_get(); - public final static int WRITEBINARY = net.sourceforge.openbabelJNI.WRITEBINARY_get(); - public final static int DEFAULTFORMAT = net.sourceforge.openbabelJNI.DEFAULTFORMAT_get(); - public final static int MAXSETNO = net.sourceforge.openbabelJNI.MAXSETNO_get(); - public final static int MAXELEM = net.sourceforge.openbabelJNI.MAXELEM_get(); - public final static int MINELEM = net.sourceforge.openbabelJNI.MINELEM_get(); - public final static int MAXRES = net.sourceforge.openbabelJNI.MAXRES_get(); - public final static int MINRES = net.sourceforge.openbabelJNI.MINRES_get(); - public final static int AA_ALA = net.sourceforge.openbabelJNI.AA_ALA_get(); - public final static int AA_GLY = net.sourceforge.openbabelJNI.AA_GLY_get(); - public final static int AA_LEU = net.sourceforge.openbabelJNI.AA_LEU_get(); - public final static int AA_SER = net.sourceforge.openbabelJNI.AA_SER_get(); - public final static int AA_VAL = net.sourceforge.openbabelJNI.AA_VAL_get(); - public final static int AA_THR = net.sourceforge.openbabelJNI.AA_THR_get(); - public final static int AA_LYS = net.sourceforge.openbabelJNI.AA_LYS_get(); - public final static int AA_ASP = net.sourceforge.openbabelJNI.AA_ASP_get(); - public final static int AA_ILE = net.sourceforge.openbabelJNI.AA_ILE_get(); - public final static int AA_ASN = net.sourceforge.openbabelJNI.AA_ASN_get(); - public final static int AA_GLU = net.sourceforge.openbabelJNI.AA_GLU_get(); - public final static int AA_PRO = net.sourceforge.openbabelJNI.AA_PRO_get(); - public final static int AA_ARG = net.sourceforge.openbabelJNI.AA_ARG_get(); - public final static int AA_PHE = net.sourceforge.openbabelJNI.AA_PHE_get(); - public final static int AA_GLN = net.sourceforge.openbabelJNI.AA_GLN_get(); - public final static int AA_TYR = net.sourceforge.openbabelJNI.AA_TYR_get(); - public final static int AA_HIS = net.sourceforge.openbabelJNI.AA_HIS_get(); - public final static int AA_CYS = net.sourceforge.openbabelJNI.AA_CYS_get(); - public final static int AA_MET = net.sourceforge.openbabelJNI.AA_MET_get(); - public final static int AA_TRP = net.sourceforge.openbabelJNI.AA_TRP_get(); - public final static int OB_4RING_ATOM = net.sourceforge.openbabelJNI.OB_4RING_ATOM_get(); - public final static int OB_3RING_ATOM = net.sourceforge.openbabelJNI.OB_3RING_ATOM_get(); - public final static int OB_AROMATIC_ATOM = net.sourceforge.openbabelJNI.OB_AROMATIC_ATOM_get(); - public final static int OB_RING_ATOM = net.sourceforge.openbabelJNI.OB_RING_ATOM_get(); - public final static int OB_CSTEREO_ATOM = net.sourceforge.openbabelJNI.OB_CSTEREO_ATOM_get(); - public final static int OB_ACSTEREO_ATOM = net.sourceforge.openbabelJNI.OB_ACSTEREO_ATOM_get(); - public final static int OB_DONOR_ATOM = net.sourceforge.openbabelJNI.OB_DONOR_ATOM_get(); - public final static int OB_ACCEPTOR_ATOM = net.sourceforge.openbabelJNI.OB_ACCEPTOR_ATOM_get(); - public final static int OB_CHIRAL_ATOM = net.sourceforge.openbabelJNI.OB_CHIRAL_ATOM_get(); - public final static int OB_POS_CHIRAL_ATOM = net.sourceforge.openbabelJNI.OB_POS_CHIRAL_ATOM_get(); - public final static int OB_NEG_CHIRAL_ATOM = net.sourceforge.openbabelJNI.OB_NEG_CHIRAL_ATOM_get(); - public final static int OB_ATOM_HAS_NO_H = net.sourceforge.openbabelJNI.OB_ATOM_HAS_NO_H_get(); - public final static int OB_AROMATIC_BOND = net.sourceforge.openbabelJNI.OB_AROMATIC_BOND_get(); - public final static int OB_WEDGE_BOND = net.sourceforge.openbabelJNI.OB_WEDGE_BOND_get(); - public final static int OB_HASH_BOND = net.sourceforge.openbabelJNI.OB_HASH_BOND_get(); - public final static int OB_RING_BOND = net.sourceforge.openbabelJNI.OB_RING_BOND_get(); - public final static int OB_TORUP_BOND = net.sourceforge.openbabelJNI.OB_TORUP_BOND_get(); - public final static int OB_TORDOWN_BOND = net.sourceforge.openbabelJNI.OB_TORDOWN_BOND_get(); - public final static int OB_KSINGLE_BOND = net.sourceforge.openbabelJNI.OB_KSINGLE_BOND_get(); - public final static int OB_KDOUBLE_BOND = net.sourceforge.openbabelJNI.OB_KDOUBLE_BOND_get(); - public final static int OB_KTRIPLE_BOND = net.sourceforge.openbabelJNI.OB_KTRIPLE_BOND_get(); - public final static int OB_CLOSURE_BOND = net.sourceforge.openbabelJNI.OB_CLOSURE_BOND_get(); - public final static int OB_SSSR_MOL = net.sourceforge.openbabelJNI.OB_SSSR_MOL_get(); - public final static int OB_RINGFLAGS_MOL = net.sourceforge.openbabelJNI.OB_RINGFLAGS_MOL_get(); - public final static int OB_AROMATIC_MOL = net.sourceforge.openbabelJNI.OB_AROMATIC_MOL_get(); - public final static int OB_ATOMTYPES_MOL = net.sourceforge.openbabelJNI.OB_ATOMTYPES_MOL_get(); - public final static int OB_CHIRALITY_MOL = net.sourceforge.openbabelJNI.OB_CHIRALITY_MOL_get(); - public final static int OB_PCHARGE_MOL = net.sourceforge.openbabelJNI.OB_PCHARGE_MOL_get(); - public final static int OB_HYBRID_MOL = net.sourceforge.openbabelJNI.OB_HYBRID_MOL_get(); - public final static int OB_IMPVAL_MOL = net.sourceforge.openbabelJNI.OB_IMPVAL_MOL_get(); - public final static int OB_KEKULE_MOL = net.sourceforge.openbabelJNI.OB_KEKULE_MOL_get(); - public final static int OB_CLOSURE_MOL = net.sourceforge.openbabelJNI.OB_CLOSURE_MOL_get(); - public final static int OB_H_ADDED_MOL = net.sourceforge.openbabelJNI.OB_H_ADDED_MOL_get(); - public final static int OB_PH_CORRECTED_MOL = net.sourceforge.openbabelJNI.OB_PH_CORRECTED_MOL_get(); - public final static int OB_AROM_CORRECTED_MOL = net.sourceforge.openbabelJNI.OB_AROM_CORRECTED_MOL_get(); - public final static int OB_CHAINS_MOL = net.sourceforge.openbabelJNI.OB_CHAINS_MOL_get(); - public final static int OB_TCHARGE_MOL = net.sourceforge.openbabelJNI.OB_TCHARGE_MOL_get(); - public final static int OB_TSPIN_MOL = net.sourceforge.openbabelJNI.OB_TSPIN_MOL_get(); - public final static int OB_CURRENT_CONFORMER = net.sourceforge.openbabelJNI.OB_CURRENT_CONFORMER_get(); - public final static int BUFF_SIZE = net.sourceforge.openbabelJNI.BUFF_SIZE_get(); -} diff --git a/scripts/java/obLogBuf.java b/scripts/java/obLogBuf.java index d444de98d..264af5fd7 100644 --- a/scripts/java/obLogBuf.java +++ b/scripts/java/obLogBuf.java @@ -27,13 +27,13 @@ public class obLogBuf { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_obLogBuf(swigCPtr); + openbabelJNI.delete_obLogBuf(swigCPtr); } swigCPtr = 0; } public obLogBuf() { - this(net.sourceforge.openbabelJNI.new_obLogBuf(), true); + this(openbabelJNI.new_obLogBuf(), true); } } diff --git a/scripts/java/openbabel.java b/scripts/java/openbabel.java new file mode 100644 index 000000000..be84842a8 --- /dev/null +++ b/scripts/java/openbabel.java @@ -0,0 +1,709 @@ +/* ---------------------------------------------------------------------------- + * This file was automatically generated by SWIG (http://www.swig.org). + * Version 1.3.30 + * + * Do not make changes to this file unless you know what you are doing--modify + * the SWIG interface file instead. + * ----------------------------------------------------------------------------- */ + + +public class openbabel implements openbabelConstants { + public static String OpenDatafile(SWIGTYPE_p_std__ifstream fs, String filename) { + return openbabelJNI.OpenDatafile(SWIGTYPE_p_std__ifstream.getCPtr(fs), filename); + } + + public static void DoubleMultiply(long arg0, long arg1, DoubleType arg2) { + openbabelJNI.DoubleMultiply(arg0, arg1, DoubleType.getCPtr(arg2), arg2); + } + + public static void DoubleAdd(DoubleType arg0, long arg1) { + openbabelJNI.DoubleAdd(DoubleType.getCPtr(arg0), arg0, arg1); + } + + public static long DoubleModulus(DoubleType arg0, long arg1) { + return openbabelJNI.DoubleModulus(DoubleType.getCPtr(arg0), arg0, arg1); + } + + public static double Point2Plane(vector3 a, vector3 b, vector3 c, vector3 d) { + return openbabelJNI.Point2Plane(vector3.getCPtr(a), a, vector3.getCPtr(b), b, vector3.getCPtr(c), c, vector3.getCPtr(d), d); + } + + public static vector3 getVZero() { + return new vector3(openbabelJNI.VZero_get(), false); + } + + public static vector3 getVX() { + return new vector3(openbabelJNI.VX_get(), false); + } + + public static vector3 getVY() { + return new vector3(openbabelJNI.VY_get(), false); + } + + public static vector3 getVZ() { + return new vector3(openbabelJNI.VZ_get(), false); + } + + public static SWIGTYPE_p_std__string Trim(SWIGTYPE_p_std__string txt) { + return new SWIGTYPE_p_std__string(openbabelJNI.Trim(SWIGTYPE_p_std__string.getCPtr(txt)), false); + } + + public static long getUndefinedData() { + return openbabelJNI.UndefinedData_get(); + } + + public static long getPairData() { + return openbabelJNI.PairData_get(); + } + + public static long getEnergyData() { + return openbabelJNI.EnergyData_get(); + } + + public static long getCommentData() { + return openbabelJNI.CommentData_get(); + } + + public static long getConformerData() { + return openbabelJNI.ConformerData_get(); + } + + public static long getExternalBondData() { + return openbabelJNI.ExternalBondData_get(); + } + + public static long getRotamerList() { + return openbabelJNI.RotamerList_get(); + } + + public static long getVirtualBondData() { + return openbabelJNI.VirtualBondData_get(); + } + + public static long getRingData() { + return openbabelJNI.RingData_get(); + } + + public static long getTorsionData() { + return openbabelJNI.TorsionData_get(); + } + + public static long getAngleData() { + return openbabelJNI.AngleData_get(); + } + + public static long getSerialNums() { + return openbabelJNI.SerialNums_get(); + } + + public static long getUnitCell() { + return openbabelJNI.UnitCell_get(); + } + + public static long getSpinData() { + return openbabelJNI.SpinData_get(); + } + + public static long getChargeData() { + return openbabelJNI.ChargeData_get(); + } + + public static long getSymmetryData() { + return openbabelJNI.SymmetryData_get(); + } + + public static long getChiralData() { + return openbabelJNI.ChiralData_get(); + } + + public static long getOccupationData() { + return openbabelJNI.OccupationData_get(); + } + + public static long getDensityData() { + return openbabelJNI.DensityData_get(); + } + + public static long getElectronicData() { + return openbabelJNI.ElectronicData_get(); + } + + public static long getVibrationData() { + return openbabelJNI.VibrationData_get(); + } + + public static long getRotationData() { + return openbabelJNI.RotationData_get(); + } + + public static long getNuclearData() { + return openbabelJNI.NuclearData_get(); + } + + public static long getSetData() { + return openbabelJNI.SetData_get(); + } + + public static long getCustomData0() { + return openbabelJNI.CustomData0_get(); + } + + public static long getCustomData1() { + return openbabelJNI.CustomData1_get(); + } + + public static long getCustomData2() { + return openbabelJNI.CustomData2_get(); + } + + public static long getCustomData3() { + return openbabelJNI.CustomData3_get(); + } + + public static long getCustomData4() { + return openbabelJNI.CustomData4_get(); + } + + public static long getCustomData5() { + return openbabelJNI.CustomData5_get(); + } + + public static long getCustomData6() { + return openbabelJNI.CustomData6_get(); + } + + public static long getCustomData7() { + return openbabelJNI.CustomData7_get(); + } + + public static long getCustomData8() { + return openbabelJNI.CustomData8_get(); + } + + public static long getCustomData9() { + return openbabelJNI.CustomData9_get(); + } + + public static long getCustomData10() { + return openbabelJNI.CustomData10_get(); + } + + public static long getCustomData11() { + return openbabelJNI.CustomData11_get(); + } + + public static long getCustomData12() { + return openbabelJNI.CustomData12_get(); + } + + public static long getCustomData13() { + return openbabelJNI.CustomData13_get(); + } + + public static long getCustomData14() { + return openbabelJNI.CustomData14_get(); + } + + public static long getCustomData15() { + return openbabelJNI.CustomData15_get(); + } + + public static void setObErrorLog(OBMessageHandler value) { + openbabelJNI.obErrorLog_set(OBMessageHandler.getCPtr(value), value); + } + + public static OBMessageHandler getObErrorLog() { + return new OBMessageHandler(openbabelJNI.obErrorLog_get(), false); + } + + public static long getACIDIC() { + return openbabelJNI.ACIDIC_get(); + } + + public static long getACYCLIC() { + return openbabelJNI.ACYCLIC_get(); + } + + public static long getALIPHATIC() { + return openbabelJNI.ALIPHATIC_get(); + } + + public static long getAROMATIC() { + return openbabelJNI.AROMATIC_get(); + } + + public static long getBASIC() { + return openbabelJNI.BASIC_get(); + } + + public static long getBURIED() { + return openbabelJNI.BURIED_get(); + } + + public static long getCHARGED() { + return openbabelJNI.CHARGED_get(); + } + + public static long getCYCLIC() { + return openbabelJNI.CYCLIC_get(); + } + + public static long getHYDROPHOBIC() { + return openbabelJNI.HYDROPHOBIC_get(); + } + + public static long getLARGE() { + return openbabelJNI.LARGE_get(); + } + + public static long getMEDIUM() { + return openbabelJNI.MEDIUM_get(); + } + + public static long getNEGATIVE() { + return openbabelJNI.NEGATIVE_get(); + } + + public static long getNEUTRAL() { + return openbabelJNI.NEUTRAL_get(); + } + + public static long getPOLAR() { + return openbabelJNI.POLAR_get(); + } + + public static long getPOSITIVE() { + return openbabelJNI.POSITIVE_get(); + } + + public static long getSMALL() { + return openbabelJNI.SMALL_get(); + } + + public static long getSURFACE() { + return openbabelJNI.SURFACE_get(); + } + + public static long getALPHA_CARBON() { + return openbabelJNI.ALPHA_CARBON_get(); + } + + public static long getAMINO_BACKBONE() { + return openbabelJNI.AMINO_BACKBONE_get(); + } + + public static long getBACKBONE() { + return openbabelJNI.BACKBONE_get(); + } + + public static long getCYSTEINE_SULPHUR() { + return openbabelJNI.CYSTEINE_SULPHUR_get(); + } + + public static long getLIGAND() { + return openbabelJNI.LIGAND_get(); + } + + public static long getNUCLEIC_BACKBONE() { + return openbabelJNI.NUCLEIC_BACKBONE_get(); + } + + public static long getSHAPELY_BACKBONE() { + return openbabelJNI.SHAPELY_BACKBONE_get(); + } + + public static long getSHAPELY_SPECIAL() { + return openbabelJNI.SHAPELY_SPECIAL_get(); + } + + public static long getSIDECHAIN() { + return openbabelJNI.SIDECHAIN_get(); + } + + public static long getSUGAR_PHOSPHATE() { + return openbabelJNI.SUGAR_PHOSPHATE_get(); + } + + public static long getALA() { + return openbabelJNI.ALA_get(); + } + + public static long getGLY() { + return openbabelJNI.GLY_get(); + } + + public static long getLEU() { + return openbabelJNI.LEU_get(); + } + + public static long getSER() { + return openbabelJNI.SER_get(); + } + + public static long getVAL() { + return openbabelJNI.VAL_get(); + } + + public static long getTHR() { + return openbabelJNI.THR_get(); + } + + public static long getLYS() { + return openbabelJNI.LYS_get(); + } + + public static long getASP() { + return openbabelJNI.ASP_get(); + } + + public static long getILE() { + return openbabelJNI.ILE_get(); + } + + public static long getASN() { + return openbabelJNI.ASN_get(); + } + + public static long getGLU() { + return openbabelJNI.GLU_get(); + } + + public static long getPRO() { + return openbabelJNI.PRO_get(); + } + + public static long getARG() { + return openbabelJNI.ARG_get(); + } + + public static long getPHE() { + return openbabelJNI.PHE_get(); + } + + public static long getGLN() { + return openbabelJNI.GLN_get(); + } + + public static long getTYR() { + return openbabelJNI.TYR_get(); + } + + public static long getHIS() { + return openbabelJNI.HIS_get(); + } + + public static long getCYS() { + return openbabelJNI.CYS_get(); + } + + public static long getMET() { + return openbabelJNI.MET_get(); + } + + public static long getTRP() { + return openbabelJNI.TRP_get(); + } + + public static long getASX() { + return openbabelJNI.ASX_get(); + } + + public static long getGLX() { + return openbabelJNI.GLX_get(); + } + + public static long getPCA() { + return openbabelJNI.PCA_get(); + } + + public static long getHYP() { + return openbabelJNI.HYP_get(); + } + + public static long getA() { + return openbabelJNI.A_get(); + } + + public static long getC() { + return openbabelJNI.C_get(); + } + + public static long getG() { + return openbabelJNI.G_get(); + } + + public static long getT() { + return openbabelJNI.T_get(); + } + + public static long getU() { + return openbabelJNI.U_get(); + } + + public static long getUPLUS() { + return openbabelJNI.UPLUS_get(); + } + + public static long getI() { + return openbabelJNI.I_get(); + } + + public static long getOMC() { + return openbabelJNI.OMC_get(); + } + + public static long getM2G() { + return openbabelJNI.M2G_get(); + } + + public static long getOMG() { + return openbabelJNI.OMG_get(); + } + + public static long getYG() { + return openbabelJNI.YG_get(); + } + + public static long getH2U() { + return openbabelJNI.H2U_get(); + } + + public static long getPSU() { + return openbabelJNI.PSU_get(); + } + + public static long getUNK() { + return openbabelJNI.UNK_get(); + } + + public static long getACE() { + return openbabelJNI.ACE_get(); + } + + public static long getFOR() { + return openbabelJNI.FOR_get(); + } + + public static long getHOH() { + return openbabelJNI.HOH_get(); + } + + public static long getDOD() { + return openbabelJNI.DOD_get(); + } + + public static long getSO4() { + return openbabelJNI.SO4_get(); + } + + public static long getPO4() { + return openbabelJNI.PO4_get(); + } + + public static long getNAD() { + return openbabelJNI.NAD_get(); + } + + public static long getCOA() { + return openbabelJNI.COA_get(); + } + + public static long getNAP() { + return openbabelJNI.NAP_get(); + } + + public static long getNDP() { + return openbabelJNI.NDP_get(); + } + + public static long getAMINO() { + return openbabelJNI.AMINO_get(); + } + + public static long getAMINO_NUCLEO() { + return openbabelJNI.AMINO_NUCLEO_get(); + } + + public static long getCOENZYME() { + return openbabelJNI.COENZYME_get(); + } + + public static long getION() { + return openbabelJNI.ION_get(); + } + + public static long getNUCLEO() { + return openbabelJNI.NUCLEO_get(); + } + + public static long getPROTEIN() { + return openbabelJNI.PROTEIN_get(); + } + + public static long getPURINE() { + return openbabelJNI.PURINE_get(); + } + + public static long getPYRIMIDINE() { + return openbabelJNI.PYRIMIDINE_get(); + } + + public static long getSOLVENT() { + return openbabelJNI.SOLVENT_get(); + } + + public static long getWATER() { + return openbabelJNI.WATER_get(); + } + + public static void setResidue(SWIGTYPE_p_a_4__char value) { + openbabelJNI.Residue_set(SWIGTYPE_p_a_4__char.getCPtr(value)); + } + + public static SWIGTYPE_p_a_4__char getResidue() { + long cPtr = openbabelJNI.Residue_get(); + return (cPtr == 0) ? null : new SWIGTYPE_p_a_4__char(cPtr, false); + } + + public static void setElemDesc(SWIGTYPE_p_a_4__char value) { + openbabelJNI.ElemDesc_set(SWIGTYPE_p_a_4__char.getCPtr(value)); + } + + public static SWIGTYPE_p_a_4__char getElemDesc() { + long cPtr = openbabelJNI.ElemDesc_get(); + return (cPtr == 0) ? null : new SWIGTYPE_p_a_4__char(cPtr, false); + } + + public static void setResNo(long value) { + openbabelJNI.ResNo_set(value); + } + + public static long getResNo() { + return openbabelJNI.ResNo_get(); + } + + public static void setElemNo(long value) { + openbabelJNI.ElemNo_set(value); + } + + public static long getElemNo() { + return openbabelJNI.ElemNo_get(); + } + + public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, String buf, String delimstr) { + return openbabelJNI.tokenize__SWIG_0(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), buf, delimstr); + } + + public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, String buf) { + return openbabelJNI.tokenize__SWIG_1(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), buf); + } + + public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, SWIGTYPE_p_std__string arg1, String delimstr, int limit) { + return openbabelJNI.tokenize__SWIG_2(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), SWIGTYPE_p_std__string.getCPtr(arg1), delimstr, limit); + } + + public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, SWIGTYPE_p_std__string arg1, String delimstr) { + return openbabelJNI.tokenize__SWIG_3(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), SWIGTYPE_p_std__string.getCPtr(arg1), delimstr); + } + + public static boolean tokenize(SWIGTYPE_p_std__vectorTstd__string_t arg0, SWIGTYPE_p_std__string arg1) { + return openbabelJNI.tokenize__SWIG_4(SWIGTYPE_p_std__vectorTstd__string_t.getCPtr(arg0), SWIGTYPE_p_std__string.getCPtr(arg1)); + } + + public static void ThrowError(SWIGTYPE_p_std__string str) { + openbabelJNI.ThrowError__SWIG_1(SWIGTYPE_p_std__string.getCPtr(str)); + } + + public static void CartesianToInternal(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t arg0, OBMol arg1) { + openbabelJNI.CartesianToInternal(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t.getCPtr(arg0), OBMol.getCPtr(arg1), arg1); + } + + public static void InternalToCartesian(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t arg0, OBMol arg1) { + openbabelJNI.InternalToCartesian(SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t.getCPtr(arg0), OBMol.getCPtr(arg1), arg1); + } + + public static String NewExtension(SWIGTYPE_p_std__string arg0, String arg1) { + return openbabelJNI.NewExtension(SWIGTYPE_p_std__string.getCPtr(arg0), arg1); + } + + public static void setEtab(OBElementTable value) { + openbabelJNI.etab_set(OBElementTable.getCPtr(value), value); + } + + public static OBElementTable getEtab() { + return new OBElementTable(openbabelJNI.etab_get(), false); + } + + public static void setTtab(OBTypeTable value) { + openbabelJNI.ttab_set(OBTypeTable.getCPtr(value), value); + } + + public static OBTypeTable getTtab() { + return new OBTypeTable(openbabelJNI.ttab_get(), false); + } + + public static void setIsotab(OBIsotopeTable value) { + openbabelJNI.isotab_set(OBIsotopeTable.getCPtr(value), value); + } + + public static OBIsotopeTable getIsotab() { + return new OBIsotopeTable(openbabelJNI.isotab_get(), false); + } + + public static void setAromtyper(OBAromaticTyper value) { + openbabelJNI.aromtyper_set(OBAromaticTyper.getCPtr(value), value); + } + + public static OBAromaticTyper getAromtyper() { + return new OBAromaticTyper(openbabelJNI.aromtyper_get(), false); + } + + public static void setAtomtyper(OBAtomTyper value) { + openbabelJNI.atomtyper_set(OBAtomTyper.getCPtr(value), value); + } + + public static OBAtomTyper getAtomtyper() { + return new OBAtomTyper(openbabelJNI.atomtyper_get(), false); + } + + public static void setChainsparser(OBChainsParser value) { + openbabelJNI.chainsparser_set(OBChainsParser.getCPtr(value), value); + } + + public static OBChainsParser getChainsparser() { + return new OBChainsParser(openbabelJNI.chainsparser_get(), false); + } + + public static void setResdat(OBResidueData value) { + openbabelJNI.resdat_set(OBResidueData.getCPtr(value), value); + } + + public static OBResidueData getResdat() { + return new OBResidueData(openbabelJNI.resdat_get(), false); + } + + public static void get_rmat(SWIGTYPE_p_double arg0, SWIGTYPE_p_double arg1, SWIGTYPE_p_double arg2, int arg3) { + openbabelJNI.get_rmat(SWIGTYPE_p_double.getCPtr(arg0), SWIGTYPE_p_double.getCPtr(arg1), SWIGTYPE_p_double.getCPtr(arg2), arg3); + } + + public static void ob_make_rmat(SWIGTYPE_p_a_3__double mat, SWIGTYPE_p_double rmat) { + openbabelJNI.ob_make_rmat(SWIGTYPE_p_a_3__double.getCPtr(mat), SWIGTYPE_p_double.getCPtr(rmat)); + } + + public static void qtrfit(SWIGTYPE_p_double r, SWIGTYPE_p_double f, int size, SWIGTYPE_p_a_3__double u) { + openbabelJNI.qtrfit(SWIGTYPE_p_double.getCPtr(r), SWIGTYPE_p_double.getCPtr(f), size, SWIGTYPE_p_a_3__double.getCPtr(u)); + } + + public static double superimpose(SWIGTYPE_p_double arg0, SWIGTYPE_p_double arg1, int arg2) { + return openbabelJNI.superimpose(SWIGTYPE_p_double.getCPtr(arg0), SWIGTYPE_p_double.getCPtr(arg1), arg2); + } + + public static boolean CompareRingSize(OBRing arg0, OBRing arg1) { + return openbabelJNI.CompareRingSize(OBRing.getCPtr(arg0), arg0, OBRing.getCPtr(arg1), arg1); + } + + public static void SmartsLexReplace(SWIGTYPE_p_std__string arg0, SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t arg1) { + openbabelJNI.SmartsLexReplace(SWIGTYPE_p_std__string.getCPtr(arg0), SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t.getCPtr(arg1)); + } + +} diff --git a/scripts/java/openbabelConstants.java b/scripts/java/openbabelConstants.java new file mode 100644 index 000000000..c61333db2 --- /dev/null +++ b/scripts/java/openbabelConstants.java @@ -0,0 +1,88 @@ +/* ---------------------------------------------------------------------------- + * This file was automatically generated by SWIG (http://www.swig.org). + * Version 1.3.30 + * + * Do not make changes to this file unless you know what you are doing--modify + * the SWIG interface file instead. + * ----------------------------------------------------------------------------- */ + + +public interface openbabelConstants { + public final static String FILE_SEP_CHAR = openbabelJNI.FILE_SEP_CHAR_get(); + public final static double PI = openbabelJNI.PI_get(); + public final static double RAD_TO_DEG = openbabelJNI.RAD_TO_DEG_get(); + public final static double DEG_TO_RAD = openbabelJNI.DEG_TO_RAD_get(); + public final static int NOTREADABLE = openbabelJNI.NOTREADABLE_get(); + public final static int READONEONLY = openbabelJNI.READONEONLY_get(); + public final static int READBINARY = openbabelJNI.READBINARY_get(); + public final static int ZEROATOMSOK = openbabelJNI.ZEROATOMSOK_get(); + public final static int NOTWRITABLE = openbabelJNI.NOTWRITABLE_get(); + public final static int WRITEONEONLY = openbabelJNI.WRITEONEONLY_get(); + public final static int WRITEBINARY = openbabelJNI.WRITEBINARY_get(); + public final static int DEFAULTFORMAT = openbabelJNI.DEFAULTFORMAT_get(); + public final static int MAXSETNO = openbabelJNI.MAXSETNO_get(); + public final static int MAXELEM = openbabelJNI.MAXELEM_get(); + public final static int MINELEM = openbabelJNI.MINELEM_get(); + public final static int MAXRES = openbabelJNI.MAXRES_get(); + public final static int MINRES = openbabelJNI.MINRES_get(); + public final static int AA_ALA = openbabelJNI.AA_ALA_get(); + public final static int AA_GLY = openbabelJNI.AA_GLY_get(); + public final static int AA_LEU = openbabelJNI.AA_LEU_get(); + public final static int AA_SER = openbabelJNI.AA_SER_get(); + public final static int AA_VAL = openbabelJNI.AA_VAL_get(); + public final static int AA_THR = openbabelJNI.AA_THR_get(); + public final static int AA_LYS = openbabelJNI.AA_LYS_get(); + public final static int AA_ASP = openbabelJNI.AA_ASP_get(); + public final static int AA_ILE = openbabelJNI.AA_ILE_get(); + public final static int AA_ASN = openbabelJNI.AA_ASN_get(); + public final static int AA_GLU = openbabelJNI.AA_GLU_get(); + public final static int AA_PRO = openbabelJNI.AA_PRO_get(); + public final static int AA_ARG = openbabelJNI.AA_ARG_get(); + public final static int AA_PHE = openbabelJNI.AA_PHE_get(); + public final static int AA_GLN = openbabelJNI.AA_GLN_get(); + public final static int AA_TYR = openbabelJNI.AA_TYR_get(); + public final static int AA_HIS = openbabelJNI.AA_HIS_get(); + public final static int AA_CYS = openbabelJNI.AA_CYS_get(); + public final static int AA_MET = openbabelJNI.AA_MET_get(); + public final static int AA_TRP = openbabelJNI.AA_TRP_get(); + public final static int OB_4RING_ATOM = openbabelJNI.OB_4RING_ATOM_get(); + public final static int OB_3RING_ATOM = openbabelJNI.OB_3RING_ATOM_get(); + public final static int OB_AROMATIC_ATOM = openbabelJNI.OB_AROMATIC_ATOM_get(); + public final static int OB_RING_ATOM = openbabelJNI.OB_RING_ATOM_get(); + public final static int OB_CSTEREO_ATOM = openbabelJNI.OB_CSTEREO_ATOM_get(); + public final static int OB_ACSTEREO_ATOM = openbabelJNI.OB_ACSTEREO_ATOM_get(); + public final static int OB_DONOR_ATOM = openbabelJNI.OB_DONOR_ATOM_get(); + public final static int OB_ACCEPTOR_ATOM = openbabelJNI.OB_ACCEPTOR_ATOM_get(); + public final static int OB_CHIRAL_ATOM = openbabelJNI.OB_CHIRAL_ATOM_get(); + public final static int OB_POS_CHIRAL_ATOM = openbabelJNI.OB_POS_CHIRAL_ATOM_get(); + public final static int OB_NEG_CHIRAL_ATOM = openbabelJNI.OB_NEG_CHIRAL_ATOM_get(); + public final static int OB_ATOM_HAS_NO_H = openbabelJNI.OB_ATOM_HAS_NO_H_get(); + public final static int OB_AROMATIC_BOND = openbabelJNI.OB_AROMATIC_BOND_get(); + public final static int OB_WEDGE_BOND = openbabelJNI.OB_WEDGE_BOND_get(); + public final static int OB_HASH_BOND = openbabelJNI.OB_HASH_BOND_get(); + public final static int OB_RING_BOND = openbabelJNI.OB_RING_BOND_get(); + public final static int OB_TORUP_BOND = openbabelJNI.OB_TORUP_BOND_get(); + public final static int OB_TORDOWN_BOND = openbabelJNI.OB_TORDOWN_BOND_get(); + public final static int OB_KSINGLE_BOND = openbabelJNI.OB_KSINGLE_BOND_get(); + public final static int OB_KDOUBLE_BOND = openbabelJNI.OB_KDOUBLE_BOND_get(); + public final static int OB_KTRIPLE_BOND = openbabelJNI.OB_KTRIPLE_BOND_get(); + public final static int OB_CLOSURE_BOND = openbabelJNI.OB_CLOSURE_BOND_get(); + public final static int OB_SSSR_MOL = openbabelJNI.OB_SSSR_MOL_get(); + public final static int OB_RINGFLAGS_MOL = openbabelJNI.OB_RINGFLAGS_MOL_get(); + public final static int OB_AROMATIC_MOL = openbabelJNI.OB_AROMATIC_MOL_get(); + public final static int OB_ATOMTYPES_MOL = openbabelJNI.OB_ATOMTYPES_MOL_get(); + public final static int OB_CHIRALITY_MOL = openbabelJNI.OB_CHIRALITY_MOL_get(); + public final static int OB_PCHARGE_MOL = openbabelJNI.OB_PCHARGE_MOL_get(); + public final static int OB_HYBRID_MOL = openbabelJNI.OB_HYBRID_MOL_get(); + public final static int OB_IMPVAL_MOL = openbabelJNI.OB_IMPVAL_MOL_get(); + public final static int OB_KEKULE_MOL = openbabelJNI.OB_KEKULE_MOL_get(); + public final static int OB_CLOSURE_MOL = openbabelJNI.OB_CLOSURE_MOL_get(); + public final static int OB_H_ADDED_MOL = openbabelJNI.OB_H_ADDED_MOL_get(); + public final static int OB_PH_CORRECTED_MOL = openbabelJNI.OB_PH_CORRECTED_MOL_get(); + public final static int OB_AROM_CORRECTED_MOL = openbabelJNI.OB_AROM_CORRECTED_MOL_get(); + public final static int OB_CHAINS_MOL = openbabelJNI.OB_CHAINS_MOL_get(); + public final static int OB_TCHARGE_MOL = openbabelJNI.OB_TCHARGE_MOL_get(); + public final static int OB_TSPIN_MOL = openbabelJNI.OB_TSPIN_MOL_get(); + public final static int OB_CURRENT_CONFORMER = openbabelJNI.OB_CURRENT_CONFORMER_get(); + public final static int BUFF_SIZE = openbabelJNI.BUFF_SIZE_get(); +} diff --git a/scripts/java/net.sourceforge.openbabelJNI.java b/scripts/java/openbabelJNI.java similarity index 95% rename from scripts/java/net.sourceforge.openbabelJNI.java rename to scripts/java/openbabelJNI.java index f4b7f787e..de456ad7f 100644 --- a/scripts/java/net.sourceforge.openbabelJNI.java +++ b/scripts/java/openbabelJNI.java @@ -7,7 +7,7 @@ * ----------------------------------------------------------------------------- */ -class net.sourceforge.openbabelJNI { +class openbabelJNI { public final static native long new_vectorInt__SWIG_0(); public final static native long new_vectorInt__SWIG_1(long jarg1); public final static native long vectorInt_size(long jarg1, vectorInt jarg1_); @@ -319,7 +319,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBSetData_AddData(long jarg1, OBSetData jarg1_, long jarg2, OBGenericData jarg2_); public final static native void OBSetData_SetData(long jarg1, OBSetData jarg1_, long jarg2, vectorData jarg2_); public final static native long OBSetData_GetData__SWIG_0(long jarg1, OBSetData jarg1_, String jarg2); - public final static native long OBSetData_GetData__SWIG_1(long jarg1, OBSetData jarg1_); + public final static native long OBSetData_GetData__SWIG_2(long jarg1, OBSetData jarg1_); public final static native long OBSetData_GetBegin(long jarg1, OBSetData jarg1_); public final static native long OBSetData_GetEnd(long jarg1, OBSetData jarg1_); public final static native void OBSetData_DeleteData(long jarg1, OBSetData jarg1_, long jarg2, OBGenericData jarg2_); @@ -460,63 +460,6 @@ class net.sourceforge.openbabelJNI { public final static native long OBBase_BeginData(long jarg1, OBBase jarg1_); public final static native long OBBase_EndData(long jarg1, OBBase jarg1_); public final static native long new_OBBase(); - public final static native void OBNodeBase_Visit_set(long jarg1, OBNodeBase jarg1_, boolean jarg2); - public final static native boolean OBNodeBase_Visit_get(long jarg1, OBNodeBase jarg1_); - public final static native long new_OBNodeBase(); - public final static native void delete_OBNodeBase(long jarg1); - public final static native long OBNodeBase_GetIdx(long jarg1, OBNodeBase jarg1_); - public final static native void OBNodeBase_SetIdx(long jarg1, OBNodeBase jarg1_, int jarg2); - public final static native long OBNodeBase_GetParent(long jarg1, OBNodeBase jarg1_); - public final static native void OBNodeBase_SetParent(long jarg1, OBNodeBase jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native void OBNodeBase_AddEdge(long jarg1, OBNodeBase jarg1_, long jarg2, OBEdgeBase jarg2_); - public final static native long OBNodeBase_GetValence(long jarg1, OBNodeBase jarg1_); - public final static native boolean OBNodeBase_IsConnected(long jarg1, OBNodeBase jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void OBNodeBase_Error(long jarg1, OBNodeBase jarg1_, int jarg2); - public final static native int OBNodeBase_GetFormalCharge(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_ExplicitHydrogenCount(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_ImplicitHydrogenCount(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_GetImplicitValence(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_GetHvyValence(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_KBOSum(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_GetHyb(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_MemberOfRingCount(long jarg1, OBNodeBase jarg1_); - public final static native long OBNodeBase_GetAtomicNum(long jarg1, OBNodeBase jarg1_); - public final static native void OBNodeBase_SetMatch(long jarg1, OBNodeBase jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void OBNodeBase_SetAromatic(long jarg1, OBNodeBase jarg1_); - public final static native boolean OBNodeBase_IsInRingSize(long jarg1, OBNodeBase jarg1_, int jarg2); - public final static native boolean OBNodeBase_IsAromatic(long jarg1, OBNodeBase jarg1_); - public final static native boolean OBNodeBase_IsInRing(long jarg1, OBNodeBase jarg1_); - public final static native boolean OBNodeBase_Eval(long jarg1, OBNodeBase jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native long OBNodeBase_GetMatch(long jarg1, OBNodeBase jarg1_); - public final static native void OBEdgeBase_Visit_set(long jarg1, OBEdgeBase jarg1_, boolean jarg2); - public final static native boolean OBEdgeBase_Visit_get(long jarg1, OBEdgeBase jarg1_); - public final static native long new_OBEdgeBase__SWIG_0(); - public final static native long new_OBEdgeBase__SWIG_1(long jarg1, OBNodeBase jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void delete_OBEdgeBase(long jarg1); - public final static native long OBEdgeBase_GetParent(long jarg1, OBEdgeBase jarg1_); - public final static native void OBEdgeBase_SetParent(long jarg1, OBEdgeBase jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native long OBEdgeBase_GetIdx(long jarg1, OBEdgeBase jarg1_); - public final static native void OBEdgeBase_SetIdx(long jarg1, OBEdgeBase jarg1_, int jarg2); - public final static native void OBEdgeBase_SetBgn(long jarg1, OBEdgeBase jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void OBEdgeBase_SetEnd(long jarg1, OBEdgeBase jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void OBEdgeBase_SwapEnds(long jarg1, OBEdgeBase jarg1_); - public final static native long OBEdgeBase_GetBgn(long jarg1, OBEdgeBase jarg1_); - public final static native long OBEdgeBase_GetEnd(long jarg1, OBEdgeBase jarg1_); - public final static native void OBEdgeBase_Error(long jarg1, OBEdgeBase jarg1_, int jarg2); - public final static native void OBEdgeBase_SetClosure(long jarg1, OBEdgeBase jarg1_); - public final static native boolean OBEdgeBase_IsAromatic(long jarg1, OBEdgeBase jarg1_); - public final static native boolean OBEdgeBase_IsInRing(long jarg1, OBEdgeBase jarg1_); - public final static native boolean OBEdgeBase_IsClosure(long jarg1, OBEdgeBase jarg1_); - public final static native boolean OBEdgeBase_Eval(long jarg1, OBEdgeBase jarg1_, long jarg2, OBEdgeBase jarg2_); - public final static native long OBEdgeBase_GetBO(long jarg1, OBEdgeBase jarg1_); - public final static native long new_OBGraphBase__SWIG_0(); - public final static native long new_OBGraphBase__SWIG_1(long jarg1, OBGraphBase jarg1_); - public final static native void delete_OBGraphBase(long jarg1); - public final static native long OBGraphBase_NumNodes(long jarg1, OBGraphBase jarg1_); - public final static native long OBGraphBase_NumEdges(long jarg1, OBGraphBase jarg1_); - public final static native void OBGraphBase_ResetVisitFlags(long jarg1, OBGraphBase jarg1_); - public final static native boolean OBGraphBase_SetVisitLock(long jarg1, OBGraphBase jarg1_, boolean jarg2); - public final static native boolean OBGraphBase_GetVisitLock(long jarg1, OBGraphBase jarg1_); public final static native long new_OBError__SWIG_0(String jarg1, String jarg2, String jarg3, String jarg4, String jarg5, int jarg6); public final static native long new_OBError__SWIG_1(String jarg1, String jarg2, String jarg3, String jarg4, String jarg5); public final static native long new_OBError__SWIG_2(String jarg1, String jarg2, String jarg3, String jarg4); @@ -679,6 +622,8 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBResidue_GetResidueProperty(long jarg1, OBResidue jarg1_, int jarg2); public final static native boolean OBResidue_IsHetAtom(long jarg1, OBResidue jarg1_, long jarg2, OBAtom jarg2_); public final static native boolean OBResidue_IsResidueType(long jarg1, OBResidue jarg1_, int jarg2); + public final static native long OBResidue_BeginAtoms(long jarg1, OBResidue jarg1_); + public final static native long OBResidue_EndAtoms(long jarg1, OBResidue jarg1_); public final static native long OBResidue_BeginAtom(long jarg1, OBResidue jarg1_, long jarg2); public final static native long OBResidue_NextAtom(long jarg1, OBResidue jarg1_, long jarg2); public final static native int MAXSETNO_get(); @@ -811,6 +756,8 @@ class net.sourceforge.openbabelJNI { public final static native int OB_POS_CHIRAL_ATOM_get(); public final static native int OB_NEG_CHIRAL_ATOM_get(); public final static native int OB_ATOM_HAS_NO_H_get(); + public final static native void OBAtom_Visit_set(long jarg1, OBAtom jarg1_, boolean jarg2); + public final static native boolean OBAtom_Visit_get(long jarg1, OBAtom jarg1_); public final static native long new_OBAtom(); public final static native void delete_OBAtom(long jarg1); public final static native void OBAtom_Clear(long jarg1, OBAtom jarg1_); @@ -831,6 +778,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBAtom_SetCoordPtr(long jarg1, OBAtom jarg1_, long jarg2); public final static native void OBAtom_SetVector__SWIG_2(long jarg1, OBAtom jarg1_); public final static native void OBAtom_SetResidue(long jarg1, OBAtom jarg1_, long jarg2, OBResidue jarg2_); + public final static native void OBAtom_SetParent(long jarg1, OBAtom jarg1_, long jarg2, OBMol jarg2_); public final static native void OBAtom_SetAromatic(long jarg1, OBAtom jarg1_); public final static native void OBAtom_UnsetAromatic(long jarg1, OBAtom jarg1_); public final static native void OBAtom_SetClockwiseStereo(long jarg1, OBAtom jarg1_); @@ -866,6 +814,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBAtom_GetVector(long jarg1, OBAtom jarg1_); public final static native double OBAtom_GetPartialCharge(long jarg1, OBAtom jarg1_); public final static native long OBAtom_GetResidue(long jarg1, OBAtom jarg1_); + public final static native long OBAtom_GetParent(long jarg1, OBAtom jarg1_); public final static native boolean OBAtom_GetNewBondVector(long jarg1, OBAtom jarg1_, long jarg2, vector3 jarg2_, double jarg3); public final static native long OBAtom_GetBond(long jarg1, OBAtom jarg1_, long jarg2, OBAtom jarg2_); public final static native long OBAtom_GetNextAtom(long jarg1, OBAtom jarg1_); @@ -953,12 +902,15 @@ class net.sourceforge.openbabelJNI { public final static native int OB_KDOUBLE_BOND_get(); public final static native int OB_KTRIPLE_BOND_get(); public final static native int OB_CLOSURE_BOND_get(); + public final static native void OBBond_Visit_set(long jarg1, OBBond jarg1_, boolean jarg2); + public final static native boolean OBBond_Visit_get(long jarg1, OBBond jarg1_); public final static native long new_OBBond(); public final static native void delete_OBBond(long jarg1); public final static native void OBBond_SetIdx(long jarg1, OBBond jarg1_, int jarg2); public final static native void OBBond_SetBO(long jarg1, OBBond jarg1_, int jarg2); public final static native void OBBond_SetBegin(long jarg1, OBBond jarg1_, long jarg2, OBAtom jarg2_); public final static native void OBBond_SetEnd(long jarg1, OBBond jarg1_, long jarg2, OBAtom jarg2_); + public final static native void OBBond_SetParent(long jarg1, OBBond jarg1_, long jarg2, OBMol jarg2_); public final static native void OBBond_SetLength(long jarg1, OBBond jarg1_, long jarg2, OBAtom jarg2_, double jarg3); public final static native void OBBond_Set(long jarg1, OBBond jarg1_, int jarg2, long jarg3, OBAtom jarg3_, long jarg4, OBAtom jarg4_, int jarg5, int jarg6); public final static native void OBBond_SetKSingle(long jarg1, OBBond jarg1_); @@ -977,6 +929,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBBond_UnsetDown(long jarg1, OBBond jarg1_); public final static native void OBBond_UnsetAromatic(long jarg1, OBBond jarg1_); public final static native void OBBond_UnsetKekule(long jarg1, OBBond jarg1_); + public final static native long OBBond_GetIdx(long jarg1, OBBond jarg1_); public final static native long OBBond_GetBO(long jarg1, OBBond jarg1_); public final static native long OBBond_GetBondOrder(long jarg1, OBBond jarg1_); public final static native long OBBond_GetFlags(long jarg1, OBBond jarg1_); @@ -985,6 +938,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBBond_GetBeginAtom(long jarg1, OBBond jarg1_); public final static native long OBBond_GetEndAtom(long jarg1, OBBond jarg1_); public final static native long OBBond_GetNbrAtom(long jarg1, OBBond jarg1_, long jarg2, OBAtom jarg2_); + public final static native long OBBond_GetParent(long jarg1, OBBond jarg1_); public final static native double OBBond_GetEquibLength(long jarg1, OBBond jarg1_); public final static native double OBBond_GetLength(long jarg1, OBBond jarg1_); public final static native int OBBond_GetNbrAtomIdx(long jarg1, OBBond jarg1_, long jarg2, OBAtom jarg2_); @@ -1032,8 +986,8 @@ class net.sourceforge.openbabelJNI { public final static native long OBMol_CreateAtom(long jarg1, OBMol jarg1_); public final static native long OBMol_CreateBond(long jarg1, OBMol jarg1_); public final static native long OBMol_CreateResidue(long jarg1, OBMol jarg1_); - public final static native void OBMol_DestroyAtom(long jarg1, OBMol jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void OBMol_DestroyBond(long jarg1, OBMol jarg1_, long jarg2, OBEdgeBase jarg2_); + public final static native void OBMol_DestroyAtom(long jarg1, OBMol jarg1_, long jarg2, OBAtom jarg2_); + public final static native void OBMol_DestroyBond(long jarg1, OBMol jarg1_, long jarg2, OBBond jarg2_); public final static native void OBMol_DestroyResidue(long jarg1, OBMol jarg1_, long jarg2, OBResidue jarg2_); public final static native boolean OBMol_AddAtom(long jarg1, OBMol jarg1_, long jarg2, OBAtom jarg2_); public final static native boolean OBMol_AddBond__SWIG_0(long jarg1, OBMol jarg1_, int jarg2, int jarg3, int jarg4, int jarg5, int jarg6); @@ -1188,6 +1142,12 @@ class net.sourceforge.openbabelJNI { public final static native long OBMol_BeginConformer(long jarg1, OBMol jarg1_, long jarg2); public final static native long OBMol_NextConformer(long jarg1, OBMol jarg1_, long jarg2); public final static native long OBMol_GetConformers(long jarg1, OBMol jarg1_); + public final static native long OBMol_BeginAtoms(long jarg1, OBMol jarg1_); + public final static native long OBMol_EndAtoms(long jarg1, OBMol jarg1_); + public final static native long OBMol_BeginBonds(long jarg1, OBMol jarg1_); + public final static native long OBMol_EndBonds(long jarg1, OBMol jarg1_); + public final static native long OBMol_BeginResidues(long jarg1, OBMol jarg1_); + public final static native long OBMol_EndResidues(long jarg1, OBMol jarg1_); public final static native long OBMol_BeginAtom(long jarg1, OBMol jarg1_, long jarg2); public final static native long OBMol_NextAtom(long jarg1, OBMol jarg1_, long jarg2); public final static native long OBMol_BeginBond(long jarg1, OBMol jarg1_, long jarg2); @@ -1293,6 +1253,8 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolAtomIter_deref(long jarg1, OBMolAtomIter jarg1_); public final static native long OBMolAtomIter___ref__(long jarg1, OBMolAtomIter jarg1_); public final static native void delete_OBMolAtomIter(long jarg1); + public final static native void OBMolAtomIter_Visit_set(long jarg1, OBMolAtomIter jarg1_, boolean jarg2); + public final static native boolean OBMolAtomIter_Visit_get(long jarg1, OBMolAtomIter jarg1_); public final static native void OBMolAtomIter_Clear(long jarg1, OBMolAtomIter jarg1_); public final static native void OBMolAtomIter_SetIdx(long jarg1, OBMolAtomIter jarg1_, int jarg2); public final static native void OBMolAtomIter_SetHyb(long jarg1, OBMolAtomIter jarg1_, int jarg2); @@ -1311,6 +1273,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBMolAtomIter_SetVector__SWIG_2(long jarg1, OBMolAtomIter jarg1_); public final static native void OBMolAtomIter_SetCoordPtr(long jarg1, OBMolAtomIter jarg1_, long jarg2); public final static native void OBMolAtomIter_SetResidue(long jarg1, OBMolAtomIter jarg1_, long jarg2, OBResidue jarg2_); + public final static native void OBMolAtomIter_SetParent(long jarg1, OBMolAtomIter jarg1_, long jarg2, OBMol jarg2_); public final static native void OBMolAtomIter_SetAromatic(long jarg1, OBMolAtomIter jarg1_); public final static native void OBMolAtomIter_UnsetAromatic(long jarg1, OBMolAtomIter jarg1_); public final static native void OBMolAtomIter_SetClockwiseStereo(long jarg1, OBMolAtomIter jarg1_); @@ -1346,6 +1309,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolAtomIter_GetVector(long jarg1, OBMolAtomIter jarg1_); public final static native double OBMolAtomIter_GetPartialCharge(long jarg1, OBMolAtomIter jarg1_); public final static native long OBMolAtomIter_GetResidue(long jarg1, OBMolAtomIter jarg1_); + public final static native long OBMolAtomIter_GetParent(long jarg1, OBMolAtomIter jarg1_); public final static native boolean OBMolAtomIter_GetNewBondVector(long jarg1, OBMolAtomIter jarg1_, long jarg2, vector3 jarg2_, double jarg3); public final static native long OBMolAtomIter_GetBond(long jarg1, OBMolAtomIter jarg1_, long jarg2, OBAtom jarg2_); public final static native long OBMolAtomIter_GetNextAtom(long jarg1, OBMolAtomIter jarg1_); @@ -1423,15 +1387,6 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBMolAtomIter_HasDoubleBond(long jarg1, OBMolAtomIter jarg1_); public final static native boolean OBMolAtomIter_HasAromaticBond(long jarg1, OBMolAtomIter jarg1_); public final static native boolean OBMolAtomIter_MatchesSMARTS(long jarg1, OBMolAtomIter jarg1_, String jarg2); - public final static native void OBMolAtomIter_Visit_set(long jarg1, OBMolAtomIter jarg1_, boolean jarg2); - public final static native boolean OBMolAtomIter_Visit_get(long jarg1, OBMolAtomIter jarg1_); - public final static native long OBMolAtomIter_GetParent(long jarg1, OBMolAtomIter jarg1_); - public final static native void OBMolAtomIter_SetParent(long jarg1, OBMolAtomIter jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native void OBMolAtomIter_AddEdge(long jarg1, OBMolAtomIter jarg1_, long jarg2, OBEdgeBase jarg2_); - public final static native void OBMolAtomIter_Error(long jarg1, OBMolAtomIter jarg1_, int jarg2); - public final static native void OBMolAtomIter_SetMatch(long jarg1, OBMolAtomIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native boolean OBMolAtomIter_Eval(long jarg1, OBMolAtomIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native long OBMolAtomIter_GetMatch(long jarg1, OBMolAtomIter jarg1_); public final static native long OBMolAtomIter_DoTransformations(long jarg1, OBMolAtomIter jarg1_, long jarg2); public final static native String OBMolAtomIter_ClassDescription(long jarg1, OBMolAtomIter jarg1_); public final static native boolean OBMolAtomIter_HasData__SWIG_2(long jarg1, OBMolAtomIter jarg1_, long jarg2); @@ -1450,6 +1405,8 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolAtomDFSIter___deref__(long jarg1, OBMolAtomDFSIter jarg1_); public final static native long OBMolAtomDFSIter___ref__(long jarg1, OBMolAtomDFSIter jarg1_); public final static native void delete_OBMolAtomDFSIter(long jarg1); + public final static native void OBMolAtomDFSIter_Visit_set(long jarg1, OBMolAtomDFSIter jarg1_, boolean jarg2); + public final static native boolean OBMolAtomDFSIter_Visit_get(long jarg1, OBMolAtomDFSIter jarg1_); public final static native void OBMolAtomDFSIter_Clear(long jarg1, OBMolAtomDFSIter jarg1_); public final static native void OBMolAtomDFSIter_SetIdx(long jarg1, OBMolAtomDFSIter jarg1_, int jarg2); public final static native void OBMolAtomDFSIter_SetHyb(long jarg1, OBMolAtomDFSIter jarg1_, int jarg2); @@ -1468,6 +1425,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBMolAtomDFSIter_SetVector__SWIG_2(long jarg1, OBMolAtomDFSIter jarg1_); public final static native void OBMolAtomDFSIter_SetCoordPtr(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2); public final static native void OBMolAtomDFSIter_SetResidue(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, OBResidue jarg2_); + public final static native void OBMolAtomDFSIter_SetParent(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, OBMol jarg2_); public final static native void OBMolAtomDFSIter_SetAromatic(long jarg1, OBMolAtomDFSIter jarg1_); public final static native void OBMolAtomDFSIter_UnsetAromatic(long jarg1, OBMolAtomDFSIter jarg1_); public final static native void OBMolAtomDFSIter_SetClockwiseStereo(long jarg1, OBMolAtomDFSIter jarg1_); @@ -1503,6 +1461,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolAtomDFSIter_GetVector(long jarg1, OBMolAtomDFSIter jarg1_); public final static native double OBMolAtomDFSIter_GetPartialCharge(long jarg1, OBMolAtomDFSIter jarg1_); public final static native long OBMolAtomDFSIter_GetResidue(long jarg1, OBMolAtomDFSIter jarg1_); + public final static native long OBMolAtomDFSIter_GetParent(long jarg1, OBMolAtomDFSIter jarg1_); public final static native boolean OBMolAtomDFSIter_GetNewBondVector(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, vector3 jarg2_, double jarg3); public final static native long OBMolAtomDFSIter_GetBond(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, OBAtom jarg2_); public final static native long OBMolAtomDFSIter_GetNextAtom(long jarg1, OBMolAtomDFSIter jarg1_); @@ -1580,15 +1539,6 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBMolAtomDFSIter_HasDoubleBond(long jarg1, OBMolAtomDFSIter jarg1_); public final static native boolean OBMolAtomDFSIter_HasAromaticBond(long jarg1, OBMolAtomDFSIter jarg1_); public final static native boolean OBMolAtomDFSIter_MatchesSMARTS(long jarg1, OBMolAtomDFSIter jarg1_, String jarg2); - public final static native void OBMolAtomDFSIter_Visit_set(long jarg1, OBMolAtomDFSIter jarg1_, boolean jarg2); - public final static native boolean OBMolAtomDFSIter_Visit_get(long jarg1, OBMolAtomDFSIter jarg1_); - public final static native long OBMolAtomDFSIter_GetParent(long jarg1, OBMolAtomDFSIter jarg1_); - public final static native void OBMolAtomDFSIter_SetParent(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native void OBMolAtomDFSIter_AddEdge(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, OBEdgeBase jarg2_); - public final static native void OBMolAtomDFSIter_Error(long jarg1, OBMolAtomDFSIter jarg1_, int jarg2); - public final static native void OBMolAtomDFSIter_SetMatch(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native boolean OBMolAtomDFSIter_Eval(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native long OBMolAtomDFSIter_GetMatch(long jarg1, OBMolAtomDFSIter jarg1_); public final static native long OBMolAtomDFSIter_DoTransformations(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2); public final static native String OBMolAtomDFSIter_ClassDescription(long jarg1, OBMolAtomDFSIter jarg1_); public final static native boolean OBMolAtomDFSIter_HasData__SWIG_2(long jarg1, OBMolAtomDFSIter jarg1_, long jarg2); @@ -1607,6 +1557,8 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolAtomBFSIter___deref__(long jarg1, OBMolAtomBFSIter jarg1_); public final static native long OBMolAtomBFSIter___ref__(long jarg1, OBMolAtomBFSIter jarg1_); public final static native void delete_OBMolAtomBFSIter(long jarg1); + public final static native void OBMolAtomBFSIter_Visit_set(long jarg1, OBMolAtomBFSIter jarg1_, boolean jarg2); + public final static native boolean OBMolAtomBFSIter_Visit_get(long jarg1, OBMolAtomBFSIter jarg1_); public final static native void OBMolAtomBFSIter_Clear(long jarg1, OBMolAtomBFSIter jarg1_); public final static native void OBMolAtomBFSIter_SetIdx(long jarg1, OBMolAtomBFSIter jarg1_, int jarg2); public final static native void OBMolAtomBFSIter_SetHyb(long jarg1, OBMolAtomBFSIter jarg1_, int jarg2); @@ -1625,6 +1577,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBMolAtomBFSIter_SetVector__SWIG_2(long jarg1, OBMolAtomBFSIter jarg1_); public final static native void OBMolAtomBFSIter_SetCoordPtr(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2); public final static native void OBMolAtomBFSIter_SetResidue(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, OBResidue jarg2_); + public final static native void OBMolAtomBFSIter_SetParent(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, OBMol jarg2_); public final static native void OBMolAtomBFSIter_SetAromatic(long jarg1, OBMolAtomBFSIter jarg1_); public final static native void OBMolAtomBFSIter_UnsetAromatic(long jarg1, OBMolAtomBFSIter jarg1_); public final static native void OBMolAtomBFSIter_SetClockwiseStereo(long jarg1, OBMolAtomBFSIter jarg1_); @@ -1660,6 +1613,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolAtomBFSIter_GetVector(long jarg1, OBMolAtomBFSIter jarg1_); public final static native double OBMolAtomBFSIter_GetPartialCharge(long jarg1, OBMolAtomBFSIter jarg1_); public final static native long OBMolAtomBFSIter_GetResidue(long jarg1, OBMolAtomBFSIter jarg1_); + public final static native long OBMolAtomBFSIter_GetParent(long jarg1, OBMolAtomBFSIter jarg1_); public final static native boolean OBMolAtomBFSIter_GetNewBondVector(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, vector3 jarg2_, double jarg3); public final static native long OBMolAtomBFSIter_GetBond(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, OBAtom jarg2_); public final static native long OBMolAtomBFSIter_GetNextAtom(long jarg1, OBMolAtomBFSIter jarg1_); @@ -1737,15 +1691,6 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBMolAtomBFSIter_HasDoubleBond(long jarg1, OBMolAtomBFSIter jarg1_); public final static native boolean OBMolAtomBFSIter_HasAromaticBond(long jarg1, OBMolAtomBFSIter jarg1_); public final static native boolean OBMolAtomBFSIter_MatchesSMARTS(long jarg1, OBMolAtomBFSIter jarg1_, String jarg2); - public final static native void OBMolAtomBFSIter_Visit_set(long jarg1, OBMolAtomBFSIter jarg1_, boolean jarg2); - public final static native boolean OBMolAtomBFSIter_Visit_get(long jarg1, OBMolAtomBFSIter jarg1_); - public final static native long OBMolAtomBFSIter_GetParent(long jarg1, OBMolAtomBFSIter jarg1_); - public final static native void OBMolAtomBFSIter_SetParent(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native void OBMolAtomBFSIter_AddEdge(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, OBEdgeBase jarg2_); - public final static native void OBMolAtomBFSIter_Error(long jarg1, OBMolAtomBFSIter jarg1_, int jarg2); - public final static native void OBMolAtomBFSIter_SetMatch(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native boolean OBMolAtomBFSIter_Eval(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native long OBMolAtomBFSIter_GetMatch(long jarg1, OBMolAtomBFSIter jarg1_); public final static native long OBMolAtomBFSIter_DoTransformations(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2); public final static native String OBMolAtomBFSIter_ClassDescription(long jarg1, OBMolAtomBFSIter jarg1_); public final static native boolean OBMolAtomBFSIter_HasData__SWIG_2(long jarg1, OBMolAtomBFSIter jarg1_, long jarg2); @@ -1766,10 +1711,13 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolBondIter_deref(long jarg1, OBMolBondIter jarg1_); public final static native long OBMolBondIter___ref__(long jarg1, OBMolBondIter jarg1_); public final static native void delete_OBMolBondIter(long jarg1); + public final static native void OBMolBondIter_Visit_set(long jarg1, OBMolBondIter jarg1_, boolean jarg2); + public final static native boolean OBMolBondIter_Visit_get(long jarg1, OBMolBondIter jarg1_); public final static native void OBMolBondIter_SetIdx(long jarg1, OBMolBondIter jarg1_, int jarg2); public final static native void OBMolBondIter_SetBO(long jarg1, OBMolBondIter jarg1_, int jarg2); public final static native void OBMolBondIter_SetBegin(long jarg1, OBMolBondIter jarg1_, long jarg2, OBAtom jarg2_); public final static native void OBMolBondIter_SetEnd(long jarg1, OBMolBondIter jarg1_, long jarg2, OBAtom jarg2_); + public final static native void OBMolBondIter_SetParent(long jarg1, OBMolBondIter jarg1_, long jarg2, OBMol jarg2_); public final static native void OBMolBondIter_SetLength(long jarg1, OBMolBondIter jarg1_, long jarg2, OBAtom jarg2_, double jarg3); public final static native void OBMolBondIter_Set(long jarg1, OBMolBondIter jarg1_, int jarg2, long jarg3, OBAtom jarg3_, long jarg4, OBAtom jarg4_, int jarg5, int jarg6); public final static native void OBMolBondIter_SetKSingle(long jarg1, OBMolBondIter jarg1_); @@ -1788,6 +1736,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBMolBondIter_UnsetDown(long jarg1, OBMolBondIter jarg1_); public final static native void OBMolBondIter_UnsetAromatic(long jarg1, OBMolBondIter jarg1_); public final static native void OBMolBondIter_UnsetKekule(long jarg1, OBMolBondIter jarg1_); + public final static native long OBMolBondIter_GetIdx(long jarg1, OBMolBondIter jarg1_); public final static native long OBMolBondIter_GetBO(long jarg1, OBMolBondIter jarg1_); public final static native long OBMolBondIter_GetBondOrder(long jarg1, OBMolBondIter jarg1_); public final static native long OBMolBondIter_GetFlags(long jarg1, OBMolBondIter jarg1_); @@ -1796,6 +1745,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBMolBondIter_GetBeginAtom(long jarg1, OBMolBondIter jarg1_); public final static native long OBMolBondIter_GetEndAtom(long jarg1, OBMolBondIter jarg1_); public final static native long OBMolBondIter_GetNbrAtom(long jarg1, OBMolBondIter jarg1_, long jarg2, OBAtom jarg2_); + public final static native long OBMolBondIter_GetParent(long jarg1, OBMolBondIter jarg1_); public final static native double OBMolBondIter_GetEquibLength(long jarg1, OBMolBondIter jarg1_); public final static native double OBMolBondIter_GetLength(long jarg1, OBMolBondIter jarg1_); public final static native int OBMolBondIter_GetNbrAtomIdx(long jarg1, OBMolBondIter jarg1_, long jarg2, OBAtom jarg2_); @@ -1819,17 +1769,6 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBMolBondIter_IsWedge(long jarg1, OBMolBondIter jarg1_); public final static native boolean OBMolBondIter_IsHash(long jarg1, OBMolBondIter jarg1_); public final static native boolean OBMolBondIter_IsDoubleBondGeometry(long jarg1, OBMolBondIter jarg1_); - public final static native void OBMolBondIter_Visit_set(long jarg1, OBMolBondIter jarg1_, boolean jarg2); - public final static native boolean OBMolBondIter_Visit_get(long jarg1, OBMolBondIter jarg1_); - public final static native long OBMolBondIter_GetParent(long jarg1, OBMolBondIter jarg1_); - public final static native void OBMolBondIter_SetParent(long jarg1, OBMolBondIter jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native long OBMolBondIter_GetIdx(long jarg1, OBMolBondIter jarg1_); - public final static native void OBMolBondIter_SetBgn(long jarg1, OBMolBondIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void OBMolBondIter_SwapEnds(long jarg1, OBMolBondIter jarg1_); - public final static native long OBMolBondIter_GetBgn(long jarg1, OBMolBondIter jarg1_); - public final static native long OBMolBondIter_GetEnd(long jarg1, OBMolBondIter jarg1_); - public final static native void OBMolBondIter_Error(long jarg1, OBMolBondIter jarg1_, int jarg2); - public final static native boolean OBMolBondIter_Eval(long jarg1, OBMolBondIter jarg1_, long jarg2, OBEdgeBase jarg2_); public final static native long OBMolBondIter_DoTransformations(long jarg1, OBMolBondIter jarg1_, long jarg2); public final static native String OBMolBondIter_ClassDescription(long jarg1, OBMolBondIter jarg1_); public final static native boolean OBMolBondIter_HasData__SWIG_2(long jarg1, OBMolBondIter jarg1_, long jarg2); @@ -1850,6 +1789,8 @@ class net.sourceforge.openbabelJNI { public final static native long OBAtomAtomIter_deref(long jarg1, OBAtomAtomIter jarg1_); public final static native long OBAtomAtomIter___ref__(long jarg1, OBAtomAtomIter jarg1_); public final static native void delete_OBAtomAtomIter(long jarg1); + public final static native void OBAtomAtomIter_Visit_set(long jarg1, OBAtomAtomIter jarg1_, boolean jarg2); + public final static native boolean OBAtomAtomIter_Visit_get(long jarg1, OBAtomAtomIter jarg1_); public final static native void OBAtomAtomIter_Clear(long jarg1, OBAtomAtomIter jarg1_); public final static native void OBAtomAtomIter_SetIdx(long jarg1, OBAtomAtomIter jarg1_, int jarg2); public final static native void OBAtomAtomIter_SetHyb(long jarg1, OBAtomAtomIter jarg1_, int jarg2); @@ -1868,6 +1809,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBAtomAtomIter_SetVector__SWIG_2(long jarg1, OBAtomAtomIter jarg1_); public final static native void OBAtomAtomIter_SetCoordPtr(long jarg1, OBAtomAtomIter jarg1_, long jarg2); public final static native void OBAtomAtomIter_SetResidue(long jarg1, OBAtomAtomIter jarg1_, long jarg2, OBResidue jarg2_); + public final static native void OBAtomAtomIter_SetParent(long jarg1, OBAtomAtomIter jarg1_, long jarg2, OBMol jarg2_); public final static native void OBAtomAtomIter_SetAromatic(long jarg1, OBAtomAtomIter jarg1_); public final static native void OBAtomAtomIter_UnsetAromatic(long jarg1, OBAtomAtomIter jarg1_); public final static native void OBAtomAtomIter_SetClockwiseStereo(long jarg1, OBAtomAtomIter jarg1_); @@ -1903,6 +1845,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBAtomAtomIter_GetVector(long jarg1, OBAtomAtomIter jarg1_); public final static native double OBAtomAtomIter_GetPartialCharge(long jarg1, OBAtomAtomIter jarg1_); public final static native long OBAtomAtomIter_GetResidue(long jarg1, OBAtomAtomIter jarg1_); + public final static native long OBAtomAtomIter_GetParent(long jarg1, OBAtomAtomIter jarg1_); public final static native boolean OBAtomAtomIter_GetNewBondVector(long jarg1, OBAtomAtomIter jarg1_, long jarg2, vector3 jarg2_, double jarg3); public final static native long OBAtomAtomIter_GetBond(long jarg1, OBAtomAtomIter jarg1_, long jarg2, OBAtom jarg2_); public final static native long OBAtomAtomIter_GetNextAtom(long jarg1, OBAtomAtomIter jarg1_); @@ -1980,15 +1923,6 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBAtomAtomIter_HasDoubleBond(long jarg1, OBAtomAtomIter jarg1_); public final static native boolean OBAtomAtomIter_HasAromaticBond(long jarg1, OBAtomAtomIter jarg1_); public final static native boolean OBAtomAtomIter_MatchesSMARTS(long jarg1, OBAtomAtomIter jarg1_, String jarg2); - public final static native void OBAtomAtomIter_Visit_set(long jarg1, OBAtomAtomIter jarg1_, boolean jarg2); - public final static native boolean OBAtomAtomIter_Visit_get(long jarg1, OBAtomAtomIter jarg1_); - public final static native long OBAtomAtomIter_GetParent(long jarg1, OBAtomAtomIter jarg1_); - public final static native void OBAtomAtomIter_SetParent(long jarg1, OBAtomAtomIter jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native void OBAtomAtomIter_AddEdge(long jarg1, OBAtomAtomIter jarg1_, long jarg2, OBEdgeBase jarg2_); - public final static native void OBAtomAtomIter_Error(long jarg1, OBAtomAtomIter jarg1_, int jarg2); - public final static native void OBAtomAtomIter_SetMatch(long jarg1, OBAtomAtomIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native boolean OBAtomAtomIter_Eval(long jarg1, OBAtomAtomIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native long OBAtomAtomIter_GetMatch(long jarg1, OBAtomAtomIter jarg1_); public final static native long OBAtomAtomIter_DoTransformations(long jarg1, OBAtomAtomIter jarg1_, long jarg2); public final static native String OBAtomAtomIter_ClassDescription(long jarg1, OBAtomAtomIter jarg1_); public final static native boolean OBAtomAtomIter_HasData__SWIG_2(long jarg1, OBAtomAtomIter jarg1_, long jarg2); @@ -2009,10 +1943,13 @@ class net.sourceforge.openbabelJNI { public final static native long OBAtomBondIter_deref(long jarg1, OBAtomBondIter jarg1_); public final static native long OBAtomBondIter___ref__(long jarg1, OBAtomBondIter jarg1_); public final static native void delete_OBAtomBondIter(long jarg1); + public final static native void OBAtomBondIter_Visit_set(long jarg1, OBAtomBondIter jarg1_, boolean jarg2); + public final static native boolean OBAtomBondIter_Visit_get(long jarg1, OBAtomBondIter jarg1_); public final static native void OBAtomBondIter_SetIdx(long jarg1, OBAtomBondIter jarg1_, int jarg2); public final static native void OBAtomBondIter_SetBO(long jarg1, OBAtomBondIter jarg1_, int jarg2); public final static native void OBAtomBondIter_SetBegin(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBAtom jarg2_); public final static native void OBAtomBondIter_SetEnd(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBAtom jarg2_); + public final static native void OBAtomBondIter_SetParent(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBMol jarg2_); public final static native void OBAtomBondIter_SetLength(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBAtom jarg2_, double jarg3); public final static native void OBAtomBondIter_Set(long jarg1, OBAtomBondIter jarg1_, int jarg2, long jarg3, OBAtom jarg3_, long jarg4, OBAtom jarg4_, int jarg5, int jarg6); public final static native void OBAtomBondIter_SetKSingle(long jarg1, OBAtomBondIter jarg1_); @@ -2031,6 +1968,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBAtomBondIter_UnsetDown(long jarg1, OBAtomBondIter jarg1_); public final static native void OBAtomBondIter_UnsetAromatic(long jarg1, OBAtomBondIter jarg1_); public final static native void OBAtomBondIter_UnsetKekule(long jarg1, OBAtomBondIter jarg1_); + public final static native long OBAtomBondIter_GetIdx(long jarg1, OBAtomBondIter jarg1_); public final static native long OBAtomBondIter_GetBO(long jarg1, OBAtomBondIter jarg1_); public final static native long OBAtomBondIter_GetBondOrder(long jarg1, OBAtomBondIter jarg1_); public final static native long OBAtomBondIter_GetFlags(long jarg1, OBAtomBondIter jarg1_); @@ -2039,6 +1977,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBAtomBondIter_GetBeginAtom(long jarg1, OBAtomBondIter jarg1_); public final static native long OBAtomBondIter_GetEndAtom(long jarg1, OBAtomBondIter jarg1_); public final static native long OBAtomBondIter_GetNbrAtom(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBAtom jarg2_); + public final static native long OBAtomBondIter_GetParent(long jarg1, OBAtomBondIter jarg1_); public final static native double OBAtomBondIter_GetEquibLength(long jarg1, OBAtomBondIter jarg1_); public final static native double OBAtomBondIter_GetLength(long jarg1, OBAtomBondIter jarg1_); public final static native int OBAtomBondIter_GetNbrAtomIdx(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBAtom jarg2_); @@ -2062,17 +2001,6 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBAtomBondIter_IsWedge(long jarg1, OBAtomBondIter jarg1_); public final static native boolean OBAtomBondIter_IsHash(long jarg1, OBAtomBondIter jarg1_); public final static native boolean OBAtomBondIter_IsDoubleBondGeometry(long jarg1, OBAtomBondIter jarg1_); - public final static native void OBAtomBondIter_Visit_set(long jarg1, OBAtomBondIter jarg1_, boolean jarg2); - public final static native boolean OBAtomBondIter_Visit_get(long jarg1, OBAtomBondIter jarg1_); - public final static native long OBAtomBondIter_GetParent(long jarg1, OBAtomBondIter jarg1_); - public final static native void OBAtomBondIter_SetParent(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native long OBAtomBondIter_GetIdx(long jarg1, OBAtomBondIter jarg1_); - public final static native void OBAtomBondIter_SetBgn(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native void OBAtomBondIter_SwapEnds(long jarg1, OBAtomBondIter jarg1_); - public final static native long OBAtomBondIter_GetBgn(long jarg1, OBAtomBondIter jarg1_); - public final static native long OBAtomBondIter_GetEnd(long jarg1, OBAtomBondIter jarg1_); - public final static native void OBAtomBondIter_Error(long jarg1, OBAtomBondIter jarg1_, int jarg2); - public final static native boolean OBAtomBondIter_Eval(long jarg1, OBAtomBondIter jarg1_, long jarg2, OBEdgeBase jarg2_); public final static native long OBAtomBondIter_DoTransformations(long jarg1, OBAtomBondIter jarg1_, long jarg2); public final static native String OBAtomBondIter_ClassDescription(long jarg1, OBAtomBondIter jarg1_); public final static native boolean OBAtomBondIter_HasData__SWIG_2(long jarg1, OBAtomBondIter jarg1_, long jarg2); @@ -2122,6 +2050,8 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBResidueIter_GetResidueProperty(long jarg1, OBResidueIter jarg1_, int jarg2); public final static native boolean OBResidueIter_IsHetAtom(long jarg1, OBResidueIter jarg1_, long jarg2, OBAtom jarg2_); public final static native boolean OBResidueIter_IsResidueType(long jarg1, OBResidueIter jarg1_, int jarg2); + public final static native long OBResidueIter_BeginAtoms(long jarg1, OBResidueIter jarg1_); + public final static native long OBResidueIter_EndAtoms(long jarg1, OBResidueIter jarg1_); public final static native long OBResidueIter_BeginAtom(long jarg1, OBResidueIter jarg1_, long jarg2); public final static native long OBResidueIter_NextAtom(long jarg1, OBResidueIter jarg1_, long jarg2); public final static native long OBResidueIter_DoTransformations(long jarg1, OBResidueIter jarg1_, long jarg2); @@ -2144,6 +2074,8 @@ class net.sourceforge.openbabelJNI { public final static native long OBResidueAtomIter_deref(long jarg1, OBResidueAtomIter jarg1_); public final static native long OBResidueAtomIter___ref__(long jarg1, OBResidueAtomIter jarg1_); public final static native void delete_OBResidueAtomIter(long jarg1); + public final static native void OBResidueAtomIter_Visit_set(long jarg1, OBResidueAtomIter jarg1_, boolean jarg2); + public final static native boolean OBResidueAtomIter_Visit_get(long jarg1, OBResidueAtomIter jarg1_); public final static native void OBResidueAtomIter_Clear(long jarg1, OBResidueAtomIter jarg1_); public final static native void OBResidueAtomIter_SetIdx(long jarg1, OBResidueAtomIter jarg1_, int jarg2); public final static native void OBResidueAtomIter_SetHyb(long jarg1, OBResidueAtomIter jarg1_, int jarg2); @@ -2162,6 +2094,7 @@ class net.sourceforge.openbabelJNI { public final static native void OBResidueAtomIter_SetVector__SWIG_2(long jarg1, OBResidueAtomIter jarg1_); public final static native void OBResidueAtomIter_SetCoordPtr(long jarg1, OBResidueAtomIter jarg1_, long jarg2); public final static native void OBResidueAtomIter_SetResidue(long jarg1, OBResidueAtomIter jarg1_, long jarg2, OBResidue jarg2_); + public final static native void OBResidueAtomIter_SetParent(long jarg1, OBResidueAtomIter jarg1_, long jarg2, OBMol jarg2_); public final static native void OBResidueAtomIter_SetAromatic(long jarg1, OBResidueAtomIter jarg1_); public final static native void OBResidueAtomIter_UnsetAromatic(long jarg1, OBResidueAtomIter jarg1_); public final static native void OBResidueAtomIter_SetClockwiseStereo(long jarg1, OBResidueAtomIter jarg1_); @@ -2197,6 +2130,7 @@ class net.sourceforge.openbabelJNI { public final static native long OBResidueAtomIter_GetVector(long jarg1, OBResidueAtomIter jarg1_); public final static native double OBResidueAtomIter_GetPartialCharge(long jarg1, OBResidueAtomIter jarg1_); public final static native long OBResidueAtomIter_GetResidue(long jarg1, OBResidueAtomIter jarg1_); + public final static native long OBResidueAtomIter_GetParent(long jarg1, OBResidueAtomIter jarg1_); public final static native boolean OBResidueAtomIter_GetNewBondVector(long jarg1, OBResidueAtomIter jarg1_, long jarg2, vector3 jarg2_, double jarg3); public final static native long OBResidueAtomIter_GetBond(long jarg1, OBResidueAtomIter jarg1_, long jarg2, OBAtom jarg2_); public final static native long OBResidueAtomIter_GetNextAtom(long jarg1, OBResidueAtomIter jarg1_); @@ -2274,15 +2208,6 @@ class net.sourceforge.openbabelJNI { public final static native boolean OBResidueAtomIter_HasDoubleBond(long jarg1, OBResidueAtomIter jarg1_); public final static native boolean OBResidueAtomIter_HasAromaticBond(long jarg1, OBResidueAtomIter jarg1_); public final static native boolean OBResidueAtomIter_MatchesSMARTS(long jarg1, OBResidueAtomIter jarg1_, String jarg2); - public final static native void OBResidueAtomIter_Visit_set(long jarg1, OBResidueAtomIter jarg1_, boolean jarg2); - public final static native boolean OBResidueAtomIter_Visit_get(long jarg1, OBResidueAtomIter jarg1_); - public final static native long OBResidueAtomIter_GetParent(long jarg1, OBResidueAtomIter jarg1_); - public final static native void OBResidueAtomIter_SetParent(long jarg1, OBResidueAtomIter jarg1_, long jarg2, OBGraphBase jarg2_); - public final static native void OBResidueAtomIter_AddEdge(long jarg1, OBResidueAtomIter jarg1_, long jarg2, OBEdgeBase jarg2_); - public final static native void OBResidueAtomIter_Error(long jarg1, OBResidueAtomIter jarg1_, int jarg2); - public final static native void OBResidueAtomIter_SetMatch(long jarg1, OBResidueAtomIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native boolean OBResidueAtomIter_Eval(long jarg1, OBResidueAtomIter jarg1_, long jarg2, OBNodeBase jarg2_); - public final static native long OBResidueAtomIter_GetMatch(long jarg1, OBResidueAtomIter jarg1_); public final static native long OBResidueAtomIter_DoTransformations(long jarg1, OBResidueAtomIter jarg1_, long jarg2); public final static native String OBResidueAtomIter_ClassDescription(long jarg1, OBResidueAtomIter jarg1_); public final static native boolean OBResidueAtomIter_HasData__SWIG_2(long jarg1, OBResidueAtomIter jarg1_, long jarg2); @@ -2312,9 +2237,6 @@ class net.sourceforge.openbabelJNI { public final static native long SWIGOBAngleDataUpcast(long jarg1); public final static native long SWIGOBChiralDataUpcast(long jarg1); public final static native long SWIGOBSerialNumsUpcast(long jarg1); - public final static native long SWIGOBNodeBaseUpcast(long jarg1); - public final static native long SWIGOBEdgeBaseUpcast(long jarg1); - public final static native long SWIGOBGraphBaseUpcast(long jarg1); public final static native long SWIGOBResidueUpcast(long jarg1); public final static native long SWIGOBAtomUpcast(long jarg1); public final static native long SWIGOBBondUpcast(long jarg1); diff --git a/scripts/java/openbabel_java.cpp b/scripts/java/openbabel_java.cpp new file mode 100644 index 000000000..7a12320e6 --- /dev/null +++ b/scripts/java/openbabel_java.cpp @@ -0,0 +1,34567 @@ +/* ---------------------------------------------------------------------------- + * This file was automatically generated by SWIG (http://www.swig.org). + * Version 1.3.30 + * + * This file is not intended to be easily readable and contains a number of + * coding conventions designed to improve portability and efficiency. Do not make + * changes to this file unless you know what you are doing--modify the SWIG + * interface file instead. + * ----------------------------------------------------------------------------- */ + + +#ifdef __cplusplus +template class SwigValueWrapper { + T *tt; +public: + SwigValueWrapper() : tt(0) { } + SwigValueWrapper(const SwigValueWrapper& rhs) : tt(new T(*rhs.tt)) { } + SwigValueWrapper(const T& t) : tt(new T(t)) { } + ~SwigValueWrapper() { delete tt; } + SwigValueWrapper& operator=(const T& t) { delete tt; tt = new T(t); return *this; } + operator T&() const { return *tt; } + T *operator&() { return tt; } +private: + SwigValueWrapper& operator=(const SwigValueWrapper& rhs); +}; +#endif + +/* ----------------------------------------------------------------------------- + * This section contains generic SWIG labels for method/variable + * declarations/attributes, and other compiler dependent labels. + * ----------------------------------------------------------------------------- */ + +/* template workaround for compilers that cannot correctly implement the C++ standard */ +#ifndef SWIGTEMPLATEDISAMBIGUATOR +# if defined(__SUNPRO_CC) +# if (__SUNPRO_CC <= 0x560) +# define SWIGTEMPLATEDISAMBIGUATOR template +# else +# define SWIGTEMPLATEDISAMBIGUATOR +# endif +# else +# define SWIGTEMPLATEDISAMBIGUATOR +# endif +#endif + +/* inline attribute */ +#ifndef SWIGINLINE +# if defined(__cplusplus) || (defined(__GNUC__) && !defined(__STRICT_ANSI__)) +# define SWIGINLINE inline +# else +# define SWIGINLINE +# endif +#endif + +/* attribute recognised by some compilers to avoid 'unused' warnings */ +#ifndef SWIGUNUSED +# if defined(__GNUC__) +# if !(defined(__cplusplus)) || (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)) +# define SWIGUNUSED __attribute__ ((__unused__)) +# else +# define SWIGUNUSED +# endif +# elif defined(__ICC) +# define SWIGUNUSED __attribute__ ((__unused__)) +# else +# define SWIGUNUSED +# endif +#endif + +#ifndef SWIGUNUSEDPARM +# ifdef __cplusplus +# define SWIGUNUSEDPARM(p) +# else +# define SWIGUNUSEDPARM(p) p SWIGUNUSED +# endif +#endif + +/* internal SWIG method */ +#ifndef SWIGINTERN +# define SWIGINTERN static SWIGUNUSED +#endif + +/* internal inline SWIG method */ +#ifndef SWIGINTERNINLINE +# define SWIGINTERNINLINE SWIGINTERN SWIGINLINE +#endif + +/* exporting methods */ +#if (__GNUC__ >= 4) || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4) +# ifndef GCC_HASCLASSVISIBILITY +# define GCC_HASCLASSVISIBILITY +# endif +#endif + +#ifndef SWIGEXPORT +# if defined(_WIN32) || defined(__WIN32__) || defined(__CYGWIN__) +# if defined(STATIC_LINKED) +# define SWIGEXPORT +# else +# define SWIGEXPORT __declspec(dllexport) +# endif +# else +# if defined(__GNUC__) && defined(GCC_HASCLASSVISIBILITY) +# define SWIGEXPORT __attribute__ ((visibility("default"))) +# else +# define SWIGEXPORT +# endif +# endif +#endif + +/* calling conventions for Windows */ +#ifndef SWIGSTDCALL +# if defined(_WIN32) || defined(__WIN32__) || defined(__CYGWIN__) +# define SWIGSTDCALL __stdcall +# else +# define SWIGSTDCALL +# endif +#endif + +/* Deal with Microsoft's attempt at deprecating C standard runtime functions */ +#if !defined(SWIG_NO_CRT_SECURE_NO_DEPRECATE) && defined(_MSC_VER) && !defined(_CRT_SECURE_NO_DEPRECATE) +# define _CRT_SECURE_NO_DEPRECATE +#endif + + +/* Fix for jlong on some versions of gcc on Windows */ +#if defined(__GNUC__) && !defined(__INTELC__) + typedef long long __int64; +#endif + +/* Fix for jlong on 64-bit x86 Solaris */ +#if defined(__x86_64) +# ifdef _LP64 +# undef _LP64 +# endif +#endif + +#include +#include +#include + + +/* Support for throwing Java exceptions */ +typedef enum { + SWIG_JavaOutOfMemoryError = 1, + SWIG_JavaIOException, + SWIG_JavaRuntimeException, + SWIG_JavaIndexOutOfBoundsException, + SWIG_JavaArithmeticException, + SWIG_JavaIllegalArgumentException, + SWIG_JavaNullPointerException, + SWIG_JavaDirectorPureVirtual, + SWIG_JavaUnknownError +} SWIG_JavaExceptionCodes; + +typedef struct { + SWIG_JavaExceptionCodes code; + const char *java_exception; +} SWIG_JavaExceptions_t; + + +static void SWIGUNUSED SWIG_JavaThrowException(JNIEnv *jenv, SWIG_JavaExceptionCodes code, const char *msg) { + jclass excep; + static const SWIG_JavaExceptions_t java_exceptions[] = { + { SWIG_JavaOutOfMemoryError, "java/lang/OutOfMemoryError" }, + { SWIG_JavaIOException, "java/io/IOException" }, + { SWIG_JavaRuntimeException, "java/lang/RuntimeException" }, + { SWIG_JavaIndexOutOfBoundsException, "java/lang/IndexOutOfBoundsException" }, + { SWIG_JavaArithmeticException, "java/lang/ArithmeticException" }, + { SWIG_JavaIllegalArgumentException, "java/lang/IllegalArgumentException" }, + { SWIG_JavaNullPointerException, "java/lang/NullPointerException" }, + { SWIG_JavaDirectorPureVirtual, "java/lang/RuntimeException" }, + { SWIG_JavaUnknownError, "java/lang/UnknownError" }, + { (SWIG_JavaExceptionCodes)0, "java/lang/UnknownError" } }; + const SWIG_JavaExceptions_t *except_ptr = java_exceptions; + + while (except_ptr->code != code && except_ptr->code) + except_ptr++; + + jenv->ExceptionClear(); + excep = jenv->FindClass(except_ptr->java_exception); + if (excep) + jenv->ThrowNew(excep, msg); +} + + +/* Contract support */ + +#define SWIG_contract_assert(nullreturn, expr, msg) if (!(expr)) {SWIG_JavaThrowException(jenv, SWIG_JavaIllegalArgumentException, msg); return nullreturn; } else + + +// used to set import/export for Cygwin DLLs +#ifdef WIN32 +#define USING_OBDLL +#endif + +#include + +#include "obutil.h" +#include "math/vector3.h" +#include "math/matrix3x3.h" +#include "generic.h" + +#include "base.h" +#include "mol.h" +#include "ring.h" +#include "obconversion.h" +#include "oberror.h" + +#include "data.h" +#include "parsmart.h" + + +#include + + +#include +#include +#include + + +#include +#include + + +#include + +SWIGINTERN std::vector::const_reference std_vector_Sl_int_Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i >::const_reference std_vector_Sl_std_vector_Sl_int_Sg__Sg__get(std::vector > *self,int i){ + int size = int(self->size()); + if (i>=0 && i > *self,int i,std::vector >::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i::const_reference std_vector_Sl_double_Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i::const_reference std_vector_Sl_OpenBabel_vector3_Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i::const_reference std_vector_Sl_OpenBabel_OBMol_Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i::const_reference std_vector_Sl_OpenBabel_OBBond_Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i::const_reference std_vector_Sl_OpenBabel_OBResidue_Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i::const_reference std_vector_Sl_OpenBabel_OBRing_Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i::const_reference std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg__get(std::vector *self,int i){ + int size = int(self->size()); + if (i>=0 && i *self,int i,std::vector::value_type const &x){ + int size = int(self->size()); + if (i>=0 && i *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorInt_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorInt_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorInt_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorInt_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vectorInt_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorInt_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorInt_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + std::vector::value_type temp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + temp2 = (std::vector::value_type)jarg2; + arg2 = &temp2; + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_vectorInt_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jint jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_int_Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + jresult = (jint)*result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorInt_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + std::vector::value_type temp3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + temp3 = (std::vector::value_type)jarg3; + arg3 = &temp3; + try { + std_vector_Sl_int_Sg__set(arg1,arg2,(int const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vectorInt(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vvInt_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector > *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector > *)new std::vector >(); + *(std::vector > **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vvInt_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector >::size_type arg1 ; + std::vector > *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector >::size_type)jarg1; + result = (std::vector > *)new std::vector >(arg1); + *(std::vector > **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vvInt_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector > *arg1 = (std::vector > *) 0 ; + std::vector >::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector > **)&jarg1; + result = ((std::vector > const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vvInt_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector > *arg1 = (std::vector > *) 0 ; + std::vector >::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector > **)&jarg1; + result = ((std::vector > const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vvInt_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector > *arg1 = (std::vector > *) 0 ; + std::vector >::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector > **)&jarg1; + arg2 = (std::vector >::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vvInt_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector > *arg1 = (std::vector > *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector > **)&jarg1; + result = (bool)((std::vector > const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vvInt_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector > *arg1 = (std::vector > *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector > **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vvInt_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + std::vector > *arg1 = (std::vector > *) 0 ; + std::vector >::value_type *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(std::vector > **)&jarg1; + arg2 = *(std::vector >::value_type **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector >::value_type const & reference is null"); + return ; + } + (arg1)->push_back((std::vector >::value_type const &)*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vvInt_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector > *arg1 = (std::vector > *) 0 ; + int arg2 ; + std::vector >::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector > **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector >::const_reference _result_ref = std_vector_Sl_std_vector_Sl_int_Sg__Sg__get(arg1,arg2); + result = (std::vector >::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + *(std::vector >::value_type **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vvInt_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_) { + std::vector > *arg1 = (std::vector > *) 0 ; + int arg2 ; + std::vector >::value_type *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(std::vector > **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(std::vector >::value_type **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector >::value_type const & reference is null"); + return ; + } + try { + std_vector_Sl_std_vector_Sl_int_Sg__Sg__set(arg1,arg2,(std::vector const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vvInt(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector > *arg1 = (std::vector > *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector > **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorDouble_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorDouble_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorDouble_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorDouble_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorDouble_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vectorDouble_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorDouble_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorDouble_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + std::vector::value_type temp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + temp2 = (std::vector::value_type)jarg2; + arg2 = &temp2; + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_vectorDouble_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_double_Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + jresult = (jdouble)*result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorDouble_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jdouble jarg3) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + std::vector::value_type temp3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + temp3 = (std::vector::value_type)jarg3; + arg3 = &temp3; + try { + std_vector_Sl_double_Sg__set(arg1,arg2,(double const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vectorDouble(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vVector3_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vVector3_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vVector3_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vVector3_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vVector3_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vVector3_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vVector3_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vVector3_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(std::vector **)&jarg1; + arg2 = *(std::vector::value_type **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vVector3_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_OpenBabel_vector3_Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + *(std::vector::value_type **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vVector3_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(std::vector::value_type **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + try { + std_vector_Sl_OpenBabel_vector3_Sg__set(arg1,arg2,(OpenBabel::vector3 const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vVector3(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorMol_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorMol_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorMol_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorMol_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorMol_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vectorMol_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorMol_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorMol_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(std::vector **)&jarg1; + arg2 = *(std::vector::value_type **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorMol_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_OpenBabel_OBMol_Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + *(std::vector::value_type **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorMol_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(std::vector::value_type **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + try { + std_vector_Sl_OpenBabel_OBMol_Sg__set(arg1,arg2,(OpenBabel::OBMol const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vectorMol(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorBond_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorBond_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorBond_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorBond_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorBond_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vectorBond_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorBond_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorBond_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(std::vector **)&jarg1; + arg2 = *(std::vector::value_type **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorBond_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_OpenBabel_OBBond_Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + *(std::vector::value_type **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorBond_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(std::vector::value_type **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + try { + std_vector_Sl_OpenBabel_OBBond_Sg__set(arg1,arg2,(OpenBabel::OBBond const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vectorBond(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorResidue_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorResidue_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorResidue_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorResidue_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorResidue_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vectorResidue_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorResidue_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorResidue_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(std::vector **)&jarg1; + arg2 = *(std::vector::value_type **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorResidue_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_OpenBabel_OBResidue_Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + *(std::vector::value_type **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorResidue_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(std::vector::value_type **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + try { + std_vector_Sl_OpenBabel_OBResidue_Sg__set(arg1,arg2,(OpenBabel::OBResidue const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vectorResidue(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorRing_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorRing_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorRing_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorRing_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorRing_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vectorRing_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorRing_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorRing_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(std::vector **)&jarg1; + arg2 = *(std::vector::value_type **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorRing_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_OpenBabel_OBRing_Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + *(std::vector::value_type **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorRing_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(std::vector::value_type **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::value_type const & reference is null"); + return ; + } + try { + std_vector_Sl_OpenBabel_OBRing_Sg__set(arg1,arg2,(OpenBabel::OBRing const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vectorRing(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorData_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + result = (std::vector *)new std::vector(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vectorData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::vector::size_type arg1 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (std::vector::size_type)jarg1; + result = (std::vector *)new std::vector(arg1); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorData_1size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->size(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorData_1capacity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = ((std::vector const *)arg1)->capacity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorData_1reserve(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::size_type arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (std::vector::size_type)jarg2; + (arg1)->reserve(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vectorData_1isEmpty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + result = (bool)((std::vector const *)arg1)->empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorData_1clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + (arg1)->clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorData_1add(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + std::vector *arg1 = (std::vector *) 0 ; + std::vector::value_type *arg2 = 0 ; + std::vector::value_type temp2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + temp2 = *(std::vector::value_type *)&jarg2; + arg2 = &temp2; + (arg1)->push_back((std::vector::value_type const &)*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vectorData_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + try { + { + std::vector::const_reference _result_ref = std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg__get(arg1,arg2); + result = (std::vector::value_type *) &_result_ref; + } + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return 0; + } + + *(std::vector::value_type *)&jresult = *result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vectorData_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3) { + std::vector *arg1 = (std::vector *) 0 ; + int arg2 ; + std::vector::value_type *arg3 = 0 ; + std::vector::value_type temp3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + arg2 = (int)jarg2; + temp3 = *(std::vector::value_type *)&jarg3; + arg3 = &temp3; + try { + std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg__set(arg1,arg2,(OpenBabel::OBGenericData *const &)*arg3); + } + catch(std::out_of_range &_e) { + SWIG_JavaThrowException(jenv, SWIG_JavaIndexOutOfBoundsException, (&_e)->what()); + return ; + } + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vectorData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::vector *arg1 = (std::vector *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBGlobalDataBase(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBGlobalDataBase *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBGlobalDataBase *)new OpenBabel::OBGlobalDataBase(); + *(OpenBabel::OBGlobalDataBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBGlobalDataBase(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBGlobalDataBase **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBGlobalDataBase_1Init(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGlobalDataBase **)&jarg1; + (arg1)->Init(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBGlobalDataBase_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGlobalDataBase **)&jarg1; + result = (unsigned int)(arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBGlobalDataBase_1SetReadDirectory(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGlobalDataBase **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->SetReadDirectory(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBGlobalDataBase_1SetEnvironmentVariable(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGlobalDataBase **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->SetEnvironmentVariable(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBGlobalDataBase_1ParseLine(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGlobalDataBase **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->ParseLine((char const *)arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBElement_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBElement *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBElement *)new OpenBabel::OBElement(); + *(OpenBabel::OBElement **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBElement_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jint jarg1, jstring jarg2, jdouble jarg3, jdouble jarg4, jint jarg5, jdouble jarg6, jdouble jarg7, jdouble jarg8, jdouble jarg9, jdouble jarg10, jdouble jarg11, jdouble jarg12, jstring jarg13) { + jlong jresult = 0 ; + int arg1 ; + char *arg2 = (char *) 0 ; + double arg3 ; + double arg4 ; + int arg5 ; + double arg6 ; + double arg7 ; + double arg8 ; + double arg9 ; + double arg10 ; + double arg11 ; + double arg12 ; + std::string arg13 ; + OpenBabel::OBElement *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (int)jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + arg3 = (double)jarg3; + arg4 = (double)jarg4; + arg5 = (int)jarg5; + arg6 = (double)jarg6; + arg7 = (double)jarg7; + arg8 = (double)jarg8; + arg9 = (double)jarg9; + arg10 = (double)jarg10; + arg11 = (double)jarg11; + arg12 = (double)jarg12; + if(!jarg13) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg13_pstr = (const char *)jenv->GetStringUTFChars(jarg13, 0); + if (!arg13_pstr) return 0; + arg13 = std::string(arg13_pstr); + jenv->ReleaseStringUTFChars(jarg13, arg13_pstr); + result = (OpenBabel::OBElement *)new OpenBabel::OBElement(arg1,(char const *)arg2,arg3,arg4,arg5,arg6,arg7,arg8,arg9,arg10,arg11,arg12,arg13); + *(OpenBabel::OBElement **)&jresult = result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBElement_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (int)(arg1)->GetAtomicNum(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBElement_1GetSymbol(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (char *)(arg1)->GetSymbol(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetCovalentRad(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetCovalentRad(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetVdwRad(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetVdwRad(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBElement_1GetMaxBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (int)(arg1)->GetMaxBonds(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetElectroNeg(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetElectroNeg(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetIonization(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetIonization(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetElectronAffinity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetElectronAffinity(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBElement_1GetName(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (arg1)->GetName(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetRed(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetRed(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetGreen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetGreen(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElement_1GetBlue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElement **)&jarg1; + result = (double)(arg1)->GetBlue(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBElement(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBElement **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBElementTable(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBElementTable *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBElementTable *)new OpenBabel::OBElementTable(); + *(OpenBabel::OBElementTable **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBElementTable(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBElementTable_1ParseLine(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->ParseLine((char const *)arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBElementTable_1GetNumberOfElements(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + result = (unsigned int)(arg1)->GetNumberOfElements(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBElementTable_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + result = (unsigned int)(arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBElementTable_1GetAtomicNum_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jint jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + char *arg2 = (char *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (int)(arg1)->GetAtomicNum((char const *)arg2); + jresult = (jint)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBElementTable_1GetAtomicNum_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jlong jarg3) { + jint jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + char *arg2 = (char *) 0 ; + int *arg3 = 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + arg3 = *(int **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "int & reference is null"); + return 0; + } + result = (int)(arg1)->GetAtomicNum((char const *)arg2,*arg3); + jresult = (jint)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBElementTable_1GetSymbol(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jstring jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (char *)(arg1)->GetSymbol(arg2); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1GetVdwRad(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->GetVdwRad(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1GetCovalentRad(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->GetCovalentRad(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1GetMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->GetMass(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1CorrectedBondRad_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(arg1)->CorrectedBondRad(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1CorrectedBondRad_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->CorrectedBondRad(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1CorrectedVdwRad_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(arg1)->CorrectedVdwRad(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1CorrectedVdwRad_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->CorrectedVdwRad(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBElementTable_1GetMaxBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jint jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (int)(arg1)->GetMaxBonds(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1GetElectroNeg(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->GetElectroNeg(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1GetIonization(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->GetIonization(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBElementTable_1GetElectronAffinity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->GetElectronAffinity(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBElementTable_1GetRGB(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + std::vector result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->GetRGB(arg2); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBElementTable_1GetName(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jstring jresult = 0 ; + OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; + int arg2 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->GetName(arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBIsotopeTable(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBIsotopeTable *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBIsotopeTable *)new OpenBabel::OBIsotopeTable(); + *(OpenBabel::OBIsotopeTable **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBIsotopeTable(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBIsotopeTable **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBIsotopeTable_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBIsotopeTable **)&jarg1; + result = (unsigned int)(arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBIsotopeTable_1ParseLine(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBIsotopeTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->ParseLine((char const *)arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBIsotopeTable_1GetExactMass_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ; + unsigned int arg2 ; + unsigned int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBIsotopeTable **)&jarg1; + arg2 = (unsigned int)jarg2; + arg3 = (unsigned int)jarg3; + result = (double)(arg1)->GetExactMass(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBIsotopeTable_1GetExactMass_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ; + unsigned int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBIsotopeTable **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (double)(arg1)->GetExactMass(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBTypeTable(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBTypeTable *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBTypeTable *)new OpenBabel::OBTypeTable(); + *(OpenBabel::OBTypeTable **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBTypeTable(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBTypeTable_1ParseLine(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->ParseLine((char const *)arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTypeTable_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + result = (unsigned int)(arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTypeTable_1SetFromType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(arg1)->SetFromType((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTypeTable_1SetToType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(arg1)->SetToType((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTypeTable_1Translate_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jstring jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + char *arg2 = (char *) 0 ; + char *arg3 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + arg3 = 0; + if (jarg3) { + arg3 = (char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3) return 0; + } + result = (bool)(arg1)->Translate(arg2,(char const *)arg3); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + if (arg3) jenv->ReleaseStringUTFChars(jarg3, (const char *)arg3); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTypeTable_1Translate_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jstring jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + result = (bool)(arg1)->Translate(*arg2,(std::string const &)*arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBTypeTable_1GetFromType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + result = (arg1)->GetFromType(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBTypeTable_1GetToType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + result = (arg1)->GetToType(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidueData(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBResidueData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBResidueData *)new OpenBabel::OBResidueData(); + *(OpenBabel::OBResidueData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueData_1ParseLine(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->ParseLine((char const *)arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueData_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + result = (unsigned int)(arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueData_1SetResName(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + std::string *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + result = (bool)(arg1)->SetResName((std::string const &)*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBResidueData_1LookupBO_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jint jresult = 0 ; + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + std::string *arg2 = 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + result = (int)(arg1)->LookupBO((std::string const &)*arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBResidueData_1LookupBO_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jstring jarg3) { + jint jresult = 0 ; + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + result = (int)(arg1)->LookupBO((std::string const &)*arg2,(std::string const &)*arg3); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueData_1LookupType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jlong jarg3, jlong jarg4) { + jboolean jresult = 0 ; + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + int *arg4 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + arg3 = *(std::string **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + arg4 = *(int **)&jarg4; + if(!arg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "int & reference is null"); + return 0; + } + result = (bool)(arg1)->LookupType((std::string const &)*arg2,*arg3,*arg4); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueData_1AssignBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + OpenBabel::OBBitVec *arg3 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + arg3 = *(OpenBabel::OBBitVec **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBBitVec & reference is null"); + return 0; + } + result = (bool)(arg1)->AssignBonds(*arg2,*arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBResidueData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OpenDatafile(JNIEnv *jenv, jclass jcls, jlong jarg1, jstring jarg2) { + jstring jresult = 0 ; + std::ifstream *arg1 = 0 ; + std::string *arg2 = 0 ; + std::string result; + + (void)jenv; + (void)jcls; + arg1 = *(std::ifstream **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::ifstream & reference is null"); + return 0; + } + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + result = OpenBabel::OpenDatafile(*arg1,(std::string const &)*arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_FILE_1SEP_1CHAR_1get(JNIEnv *jenv, jclass jcls) { + jstring jresult = 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + result = (char *) "/"; + + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBStopwatch_1Start(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBStopwatch **)&jarg1; + (arg1)->Start(); +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBStopwatch_1Lap(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBStopwatch **)&jarg1; + result = (double)(arg1)->Lap(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBStopwatch_1Elapsed(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBStopwatch **)&jarg1; + result = (double)(arg1)->Elapsed(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBStopwatch(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBStopwatch *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBStopwatch *)new OpenBabel::OBStopwatch(); + *(OpenBabel::OBStopwatch **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBStopwatch(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBStopwatch **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSqrtTbl_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBSqrtTbl *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBSqrtTbl *)new OpenBabel::OBSqrtTbl(); + *(OpenBabel::OBSqrtTbl **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSqrtTbl_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jdouble jarg1, jdouble jarg2) { + jlong jresult = 0 ; + double arg1 ; + double arg2 ; + OpenBabel::OBSqrtTbl *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (double)jarg1; + arg2 = (double)jarg2; + result = (OpenBabel::OBSqrtTbl *)new OpenBabel::OBSqrtTbl(arg1,arg2); + *(OpenBabel::OBSqrtTbl **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBSqrtTbl(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBSqrtTbl *arg1 = (OpenBabel::OBSqrtTbl *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBSqrtTbl **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBSqrtTbl_1Sqrt(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBSqrtTbl *arg1 = (OpenBabel::OBSqrtTbl *) 0 ; + double arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSqrtTbl **)&jarg1; + arg2 = (double)jarg2; + result = (double)((OpenBabel::OBSqrtTbl const *)arg1)->Sqrt(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSqrtTbl_1Init(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3) { + OpenBabel::OBSqrtTbl *arg1 = (OpenBabel::OBSqrtTbl *) 0 ; + double arg2 ; + double arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSqrtTbl **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + (arg1)->Init(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_DoubleType_1hi_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::DoubleType **)&jarg1; + arg2 = (unsigned int)jarg2; + if (arg1) (arg1)->hi = arg2; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_DoubleType_1hi_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::DoubleType **)&jarg1; + result = (unsigned int) ((arg1)->hi); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_DoubleType_1lo_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::DoubleType **)&jarg1; + arg2 = (unsigned int)jarg2; + if (arg1) (arg1)->lo = arg2; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_DoubleType_1lo_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::DoubleType **)&jarg1; + result = (unsigned int) ((arg1)->lo); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1DoubleType(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::DoubleType *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::DoubleType *)new OpenBabel::DoubleType(); + *(OpenBabel::DoubleType **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1DoubleType(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::DoubleType **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_DoubleMultiply(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jlong jarg3, jobject jarg3_) { + unsigned int arg1 ; + unsigned int arg2 ; + OpenBabel::DoubleType *arg3 = (OpenBabel::DoubleType *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg3_; + arg1 = (unsigned int)jarg1; + arg2 = (unsigned int)jarg2; + arg3 = *(OpenBabel::DoubleType **)&jarg3; + OpenBabel::DoubleMultiply(arg1,arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_DoubleAdd(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::DoubleType **)&jarg1; + arg2 = (unsigned int)jarg2; + OpenBabel::DoubleAdd(arg1,arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_DoubleModulus(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; + unsigned int arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::DoubleType **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (unsigned int)OpenBabel::DoubleModulus(arg1,arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRandom_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jboolean jarg1) { + jlong jresult = 0 ; + bool arg1 ; + OpenBabel::OBRandom *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = jarg1 ? true : false; + result = (OpenBabel::OBRandom *)new OpenBabel::OBRandom(arg1); + *(OpenBabel::OBRandom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRandom_1_1SWIG_11(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBRandom *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBRandom *)new OpenBabel::OBRandom(); + *(OpenBabel::OBRandom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRandom_1Seed(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRandom **)&jarg1; + arg2 = (int)jarg2; + (arg1)->Seed(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRandom_1TimeSeed(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRandom **)&jarg1; + (arg1)->TimeSeed(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBRandom_1NextInt(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRandom **)&jarg1; + result = (int)(arg1)->NextInt(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBRandom_1NextFloat(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRandom **)&jarg1; + result = (double)(arg1)->NextFloat(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBRandom(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBRandom **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_PI_1get(JNIEnv *jenv, jclass jcls) { + jdouble jresult = 0 ; + double result; + + (void)jenv; + (void)jcls; + result = (double) (3.1415926535897932384626433); + + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_RAD_1TO_1DEG_1get(JNIEnv *jenv, jclass jcls) { + jdouble jresult = 0 ; + double result; + + (void)jenv; + (void)jcls; + result = (double) (180.0/(3.1415926535897932384626433)); + + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_DEG_1TO_1RAD_1get(JNIEnv *jenv, jclass jcls) { + jdouble jresult = 0 ; + double result; + + (void)jenv; + (void)jcls; + result = (double) ((3.1415926535897932384626433)/180.0); + + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vector3_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jdouble jarg1, jdouble jarg2, jdouble jarg3) { + jlong jresult = 0 ; + double arg1 ; + double arg2 ; + double arg3 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (double)jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + result = (OpenBabel::vector3 *)new OpenBabel::vector3(arg1,arg2,arg3); + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vector3_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jdouble jarg1, jdouble jarg2) { + jlong jresult = 0 ; + double arg1 ; + double arg2 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (double)jarg1; + arg2 = (double)jarg2; + result = (OpenBabel::vector3 *)new OpenBabel::vector3(arg1,arg2); + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vector3_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jdouble jarg1) { + jlong jresult = 0 ; + double arg1 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (double)jarg1; + result = (OpenBabel::vector3 *)new OpenBabel::vector3(arg1); + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vector3_1_1SWIG_13(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::vector3 *)new OpenBabel::vector3(); + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1vector3_1_1SWIG_14(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::vector3 *arg1 = 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 const & reference is null"); + return 0; + } + result = (OpenBabel::vector3 *)new OpenBabel::vector3((OpenBabel::vector3 const &)*arg1); + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1Set_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + (arg1)->Set(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1Set_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double *arg2 = (double *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = *(double **)&jarg2; + (arg1)->Set((double const *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1SetX(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = (double)jarg2; + (arg1)->SetX(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1SetY(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = (double)jarg2; + (arg1)->SetY(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1SetZ(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = (double)jarg2; + (arg1)->SetZ(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1Get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double *arg2 = (double *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = *(double **)&jarg2; + (arg1)->Get(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vector3_1IsApprox(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + jboolean jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 const & reference is null"); + return 0; + } + arg3 = (double)jarg3; + result = (bool)((OpenBabel::vector3 const *)arg1)->IsApprox((OpenBabel::vector3 const &)*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vector3_1AsArray(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + result = (double *)(arg1)->AsArray(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1randomUnitVector_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + OpenBabel::OBRandom *arg2 = (OpenBabel::OBRandom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = *(OpenBabel::OBRandom **)&jarg2; + (arg1)->randomUnitVector(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_vector3_1randomUnitVector_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + (arg1)->randomUnitVector(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_vector3_1normalize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + { + OpenBabel::vector3 &_result_ref = (arg1)->normalize(); + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vector3_1CanBeNormalized(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + result = (bool)((OpenBabel::vector3 const *)arg1)->CanBeNormalized(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_vector3_1length(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + result = (double)((OpenBabel::vector3 const *)arg1)->length(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_vector3_1length_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + result = (double)((OpenBabel::vector3 const *)arg1)->length_2(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_vector3_1x(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + result = (double)((OpenBabel::vector3 const *)arg1)->x(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_vector3_1y(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + result = (double)((OpenBabel::vector3 const *)arg1)->y(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_vector3_1z(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + result = (double)((OpenBabel::vector3 const *)arg1)->z(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_vector3_1distSq(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jdouble jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 const & reference is null"); + return 0; + } + result = (double)((OpenBabel::vector3 const *)arg1)->distSq((OpenBabel::vector3 const &)*arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_vector3_1createOrthoVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::vector3 **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + result = (bool)((OpenBabel::vector3 const *)arg1)->createOrthoVector(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1vector3(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::vector3 **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_Point2Plane(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_) { + jdouble jresult = 0 ; + OpenBabel::vector3 arg1 ; + OpenBabel::vector3 arg2 ; + OpenBabel::vector3 arg3 ; + OpenBabel::vector3 arg4 ; + double result; + OpenBabel::vector3 *argp1 ; + OpenBabel::vector3 *argp2 ; + OpenBabel::vector3 *argp3 ; + OpenBabel::vector3 *argp4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + argp1 = *(OpenBabel::vector3 **)&jarg1; + if (!argp1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3"); + return 0; + } + arg1 = *argp1; + argp2 = *(OpenBabel::vector3 **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3"); + return 0; + } + arg2 = *argp2; + argp3 = *(OpenBabel::vector3 **)&jarg3; + if (!argp3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3"); + return 0; + } + arg3 = *argp3; + argp4 = *(OpenBabel::vector3 **)&jarg4; + if (!argp4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3"); + return 0; + } + arg4 = *argp4; + result = (double)OpenBabel::Point2Plane(arg1,arg2,arg3,arg4); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_VZero_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::vector3 const &_result_ref = OpenBabel::VZero; + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_VX_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::vector3 const &_result_ref = OpenBabel::VX; + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_VY_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::vector3 const &_result_ref = OpenBabel::VY; + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_VZ_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::vector3 const &_result_ref = OpenBabel::VZ; + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_Trim(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::string *arg1 = 0 ; + std::string *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::string **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + { + std::string &_result_ref = OpenBabel::Trim(*arg1); + result = (std::string *) &_result_ref; + } + *(std::string **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_UndefinedData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::UndefinedData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PairData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::PairData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_EnergyData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::EnergyData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CommentData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CommentData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ConformerData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::ConformerData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ExternalBondData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::ExternalBondData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_RotamerList_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::RotamerList; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_VirtualBondData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::VirtualBondData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_RingData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::RingData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_TorsionData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::TorsionData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_AngleData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::AngleData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SerialNums_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::SerialNums; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_UnitCell_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::UnitCell; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SpinData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::SpinData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ChargeData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::ChargeData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SymmetryData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::SymmetryData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ChiralData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::ChiralData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OccupationData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::OccupationData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_DensityData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::DensityData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ElectronicData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::ElectronicData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_VibrationData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::VibrationData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_RotationData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::RotationData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NuclearData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::NuclearData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SetData_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::SetData; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData0_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData0; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData1_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData1; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData2_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData2; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData3_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData3; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData4_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData4; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData5_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData5; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData6_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData6; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData7_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData7; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData8_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData8; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData9_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData9; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData10_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData10; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData11_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData11; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData12_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData12; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData13_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData13; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData14_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData14; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CustomData15_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBGenericDataType::CustomData15; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBGenericData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jstring jarg1, jlong jarg2) { + jlong jresult = 0 ; + std::string arg1 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + arg1 = std::string(arg1_pstr); + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)new OpenBabel::OBGenericData(arg1,arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBGenericData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jstring jarg1) { + jlong jresult = 0 ; + std::string arg1 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + arg1 = std::string(arg1_pstr); + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + result = (OpenBabel::OBGenericData *)new OpenBabel::OBGenericData(arg1); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBGenericData_1_1SWIG_12(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBGenericData *)new OpenBabel::OBGenericData(); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBGenericData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBGenericData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBGenericData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBGenericData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBGenericData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBGenericData_1SetAttribute(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGenericData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetAttribute((std::string const &)*arg2); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBGenericData_1GetAttribute(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; + std::string *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGenericData **)&jarg1; + { + std::string const &_result_ref = ((OpenBabel::OBGenericData const *)arg1)->GetAttribute(); + result = (std::string *) &_result_ref; + } + jresult = jenv->NewStringUTF(result->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBGenericData_1GetDataType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGenericData **)&jarg1; + result = (unsigned int)((OpenBabel::OBGenericData const *)arg1)->GetDataType(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBGenericData_1GetValue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; + std::string *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBGenericData **)&jarg1; + { + std::string const &_result_ref = ((OpenBabel::OBGenericData const *)arg1)->GetValue(); + result = (std::string *) &_result_ref; + } + jresult = jenv->NewStringUTF(result->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBCommentData_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBCommentData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBCommentData *)new OpenBabel::OBCommentData(); + *(OpenBabel::OBCommentData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBCommentData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBCommentData *arg1 = 0 ; + OpenBabel::OBCommentData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBCommentData **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBCommentData const & reference is null"); + return 0; + } + result = (OpenBabel::OBCommentData *)new OpenBabel::OBCommentData((OpenBabel::OBCommentData const &)*arg1); + *(OpenBabel::OBCommentData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBCommentData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBCommentData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBCommentData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBCommentData_1SetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBCommentData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetData((std::string const &)*arg2); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBCommentData_1GetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; + std::string *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBCommentData **)&jarg1; + { + std::string const &_result_ref = ((OpenBabel::OBCommentData const *)arg1)->GetData(); + result = (std::string *) &_result_ref; + } + jresult = jenv->NewStringUTF(result->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBCommentData_1GetValue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; + std::string *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBCommentData **)&jarg1; + { + std::string const &_result_ref = ((OpenBabel::OBCommentData const *)arg1)->GetValue(); + result = (std::string *) &_result_ref; + } + jresult = jenv->NewStringUTF(result->c_str()); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBCommentData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBCommentData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBExternalBond_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBExternalBond *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBExternalBond *)new OpenBabel::OBExternalBond(); + *(OpenBabel::OBExternalBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBExternalBond_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jint jarg3) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + int arg3 ; + OpenBabel::OBExternalBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + arg3 = (int)jarg3; + result = (OpenBabel::OBExternalBond *)new OpenBabel::OBExternalBond(arg1,arg2,arg3); + *(OpenBabel::OBExternalBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBExternalBond_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBExternalBond *arg1 = 0 ; + OpenBabel::OBExternalBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBExternalBond const & reference is null"); + return 0; + } + result = (OpenBabel::OBExternalBond *)new OpenBabel::OBExternalBond((OpenBabel::OBExternalBond const &)*arg1); + *(OpenBabel::OBExternalBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBExternalBond(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBExternalBond_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + result = (int)((OpenBabel::OBExternalBond const *)arg1)->GetIdx(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBExternalBond_1GetAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + result = (OpenBabel::OBAtom *)((OpenBabel::OBExternalBond const *)arg1)->GetAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBExternalBond_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + result = (OpenBabel::OBBond *)((OpenBabel::OBExternalBond const *)arg1)->GetBond(); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBExternalBond_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBExternalBond_1SetAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (arg1)->SetAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBExternalBond_1SetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBExternalBond **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (arg1)->SetBond(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBExternalBondData(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBExternalBondData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBExternalBondData *)new OpenBabel::OBExternalBondData(); + *(OpenBabel::OBExternalBondData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBExternalBondData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBExternalBondData *arg1 = (OpenBabel::OBExternalBondData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBExternalBondData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBExternalBondData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBExternalBondData_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jint jarg4) { + OpenBabel::OBExternalBondData *arg1 = (OpenBabel::OBExternalBondData *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + int arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBExternalBondData **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBBond **)&jarg3; + arg4 = (int)jarg4; + (arg1)->SetData(arg2,arg3,arg4); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBExternalBondData_1GetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBExternalBondData *arg1 = (OpenBabel::OBExternalBondData *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBExternalBondData **)&jarg1; + result = (std::vector *)(arg1)->GetData(); + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBExternalBondData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBExternalBondData *arg1 = (OpenBabel::OBExternalBondData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBExternalBondData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBPairData(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBPairData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBPairData *)new OpenBabel::OBPairData(); + *(OpenBabel::OBPairData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBPairData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBPairData *arg1 = (OpenBabel::OBPairData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBPairData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBPairData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBPairData_1SetValue_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBPairData *arg1 = (OpenBabel::OBPairData *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBPairData **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->SetValue((char const *)arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBPairData_1GetValue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBPairData *arg1 = (OpenBabel::OBPairData *) 0 ; + std::string *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBPairData **)&jarg1; + { + std::string const &_result_ref = ((OpenBabel::OBPairData const *)arg1)->GetValue(); + result = (std::string *) &_result_ref; + } + jresult = jenv->NewStringUTF(result->c_str()); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBPairData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBPairData *arg1 = (OpenBabel::OBPairData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBPairData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSetData(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBSetData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBSetData *)new OpenBabel::OBSetData(); + *(OpenBabel::OBSetData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSetData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBSetData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSetData_1AddData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (arg1)->AddData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSetData_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->SetData(*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSetData_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jlong jresult = 0 ; + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (OpenBabel::OBGenericData *)(arg1)->GetData((char const *)arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSetData_1GetData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + { + std::vector const &_result_ref = ((OpenBabel::OBSetData const *)arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSetData_1GetBegin(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + result = (arg1)->GetBegin(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSetData_1GetEnd(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + result = (arg1)->GetEnd(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSetData_1DeleteData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBSetData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBSetData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBVirtualBond_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBVirtualBond *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBVirtualBond *)new OpenBabel::OBVirtualBond(); + *(OpenBabel::OBVirtualBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBVirtualBond_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBVirtualBond **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBVirtualBond const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBVirtualBond_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jint jarg1, jint jarg2, jint jarg3, jint jarg4) { + jlong jresult = 0 ; + int arg1 ; + int arg2 ; + int arg3 ; + int arg4 ; + OpenBabel::OBVirtualBond *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (int)jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + arg4 = (int)jarg4; + result = (OpenBabel::OBVirtualBond *)new OpenBabel::OBVirtualBond(arg1,arg2,arg3,arg4); + *(OpenBabel::OBVirtualBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBVirtualBond_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jint jarg1, jint jarg2, jint jarg3) { + jlong jresult = 0 ; + int arg1 ; + int arg2 ; + int arg3 ; + OpenBabel::OBVirtualBond *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = (int)jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (OpenBabel::OBVirtualBond *)new OpenBabel::OBVirtualBond(arg1,arg2,arg3); + *(OpenBabel::OBVirtualBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBVirtualBond_1GetBgn(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBVirtualBond **)&jarg1; + result = (int)(arg1)->GetBgn(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBVirtualBond_1GetEnd(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBVirtualBond **)&jarg1; + result = (int)(arg1)->GetEnd(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBVirtualBond_1GetOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBVirtualBond **)&jarg1; + result = (int)(arg1)->GetOrder(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBVirtualBond_1GetStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBVirtualBond **)&jarg1; + result = (int)(arg1)->GetStereo(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBVirtualBond(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBVirtualBond **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRingData_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBRingData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBRingData *)new OpenBabel::OBRingData(); + *(OpenBabel::OBRingData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRingData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRingData *arg1 = 0 ; + OpenBabel::OBRingData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingData **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBRingData const & reference is null"); + return 0; + } + result = (OpenBabel::OBRingData *)new OpenBabel::OBRingData((OpenBabel::OBRingData const &)*arg1); + *(OpenBabel::OBRingData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBRingData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRingData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBRingData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBRingData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBRingData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRingData_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingData **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->SetData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRingData_1PushBack(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; + OpenBabel::OBRing *arg2 = (OpenBabel::OBRing *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRingData **)&jarg1; + arg2 = *(OpenBabel::OBRing **)&jarg2; + (arg1)->PushBack(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBRingData_1GetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingData **)&jarg1; + { + std::vector &_result_ref = (arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBUnitCell_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBUnitCell *)new OpenBabel::OBUnitCell(); + *(OpenBabel::OBUnitCell **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBUnitCell_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = 0 ; + OpenBabel::OBUnitCell *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBUnitCell const & reference is null"); + return 0; + } + result = (OpenBabel::OBUnitCell *)new OpenBabel::OBUnitCell((OpenBabel::OBUnitCell const &)*arg1); + *(OpenBabel::OBUnitCell **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBUnitCell_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBUnitCell const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBUnitCell(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBUnitCell_1SetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4, jdouble jarg5, jdouble jarg6, jdouble jarg7) { + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + double arg5 ; + double arg6 ; + double arg7 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + arg5 = (double)jarg5; + arg6 = (double)jarg6; + arg7 = (double)jarg7; + (arg1)->SetData(arg2,arg3,arg4,arg5,arg6,arg7); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBUnitCell_1SetData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_) { + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::vector3 arg2 ; + OpenBabel::vector3 arg3 ; + OpenBabel::vector3 arg4 ; + OpenBabel::vector3 const *argp2 ; + OpenBabel::vector3 const *argp3 ; + OpenBabel::vector3 const *argp4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + argp2 = *(OpenBabel::vector3 **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3 const"); + return ; + } + arg2 = *argp2; + argp3 = *(OpenBabel::vector3 **)&jarg3; + if (!argp3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3 const"); + return ; + } + arg3 = *argp3; + argp4 = *(OpenBabel::vector3 **)&jarg4; + if (!argp4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3 const"); + return ; + } + arg4 = *argp4; + (arg1)->SetData(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBUnitCell_1SetOffset(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::vector3 arg2 ; + OpenBabel::vector3 const *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + argp2 = *(OpenBabel::vector3 **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::vector3 const"); + return ; + } + arg2 = *argp2; + (arg1)->SetOffset(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBUnitCell_1SetSpaceGroup_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + std::string arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + arg2 = std::string(arg2_pstr); + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetSpaceGroup(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBUnitCell_1SetSpaceGroup_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetSpaceGroup(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBUnitCell_1SetLatticeType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::OBUnitCell::LatticeType arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + arg2 = (OpenBabel::OBUnitCell::LatticeType)jarg2; + (arg1)->SetLatticeType(arg2); +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBUnitCell_1GetA(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (double)(arg1)->GetA(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBUnitCell_1GetB(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (double)(arg1)->GetB(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBUnitCell_1GetC(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (double)(arg1)->GetC(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBUnitCell_1GetAlpha(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (double)(arg1)->GetAlpha(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBUnitCell_1GetBeta(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (double)(arg1)->GetBeta(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBUnitCell_1GetGamma(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (double)(arg1)->GetGamma(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBUnitCell_1GetOffset(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::vector3 result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (arg1)->GetOffset(); + *(OpenBabel::vector3 **)&jresult = new OpenBabel::vector3((OpenBabel::vector3 &)result); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBUnitCell_1GetSpaceGroup(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (arg1)->GetSpaceGroup(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBUnitCell_1GetLatticeType_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jint jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + int arg2 ; + OpenBabel::OBUnitCell::LatticeType result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + arg2 = (int)jarg2; + result = (OpenBabel::OBUnitCell::LatticeType)(arg1)->GetLatticeType(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBUnitCell_1GetLatticeType_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::OBUnitCell::LatticeType result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (OpenBabel::OBUnitCell::LatticeType)(arg1)->GetLatticeType(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBUnitCell_1GetCellVectors(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + std::vector result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (arg1)->GetCellVectors(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBUnitCell_1GetCellMatrix(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::matrix3x3 result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (arg1)->GetCellMatrix(); + *(OpenBabel::matrix3x3 **)&jresult = new OpenBabel::matrix3x3((OpenBabel::matrix3x3 &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBUnitCell_1GetOrthoMatrix(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::matrix3x3 result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (arg1)->GetOrthoMatrix(); + *(OpenBabel::matrix3x3 **)&jresult = new OpenBabel::matrix3x3((OpenBabel::matrix3x3 &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBUnitCell_1GetFractionalMatrix(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + OpenBabel::matrix3x3 result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (arg1)->GetFractionalMatrix(); + *(OpenBabel::matrix3x3 **)&jresult = new OpenBabel::matrix3x3((OpenBabel::matrix3x3 &)result); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBUnitCell_1GetSpaceGroupNumber(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jint jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + std::string arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + arg2 = std::string(arg2_pstr); + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + result = (int)(arg1)->GetSpaceGroupNumber(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBUnitCell_1GetCellVolume(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBUnitCell **)&jarg1; + result = (double)(arg1)->GetCellVolume(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBConformerData_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBConformerData *)new OpenBabel::OBConformerData(); + *(OpenBabel::OBConformerData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBConformerData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = 0 ; + OpenBabel::OBConformerData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBConformerData const & reference is null"); + return 0; + } + result = (OpenBabel::OBConformerData *)new OpenBabel::OBConformerData((OpenBabel::OBConformerData const &)*arg1); + *(OpenBabel::OBConformerData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConformerData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBConformerData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBConformerData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConformerData_1SetDimension(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > arg2 ; + std::vector *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + argp2 = *(std::vector **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector"); + return ; + } + arg2 = *argp2; + (arg1)->SetDimension(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConformerData_1SetEnergies(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + std::vector arg2 ; + std::vector *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + argp2 = *(std::vector **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector"); + return ; + } + arg2 = *argp2; + (arg1)->SetEnergies(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConformerData_1SetForces(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > > arg2 ; + std::vector > *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + argp2 = *(std::vector > **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector >"); + return ; + } + arg2 = *argp2; + (arg1)->SetForces(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConformerData_1SetVelocities(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > > arg2 ; + std::vector > *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + argp2 = *(std::vector > **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector >"); + return ; + } + arg2 = *argp2; + (arg1)->SetVelocities(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConformerData_1SetDisplacements(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > > arg2 ; + std::vector > *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + argp2 = *(std::vector > **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector >"); + return ; + } + arg2 = *argp2; + (arg1)->SetDisplacements(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConformerData_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > arg2 ; + std::vector *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + argp2 = *(std::vector **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector"); + return ; + } + arg2 = *argp2; + (arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConformerData_1GetDimension(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + result = (arg1)->GetDimension(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConformerData_1GetEnergies(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + std::vector result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + result = (arg1)->GetEnergies(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConformerData_1GetForces(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + result = (arg1)->GetForces(); + *(std::vector > **)&jresult = new std::vector >((std::vector > &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConformerData_1GetVelocities(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + result = (arg1)->GetVelocities(); + *(std::vector > **)&jresult = new std::vector >((std::vector > &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConformerData_1GetDisplacements(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + result = (arg1)->GetDisplacements(); + *(std::vector > **)&jresult = new std::vector >((std::vector > &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConformerData_1GetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConformerData **)&jarg1; + result = (arg1)->GetData(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSymmetryData_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBSymmetryData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBSymmetryData *)new OpenBabel::OBSymmetryData(); + *(OpenBabel::OBSymmetryData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSymmetryData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSymmetryData *arg1 = 0 ; + OpenBabel::OBSymmetryData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBSymmetryData const & reference is null"); + return 0; + } + result = (OpenBabel::OBSymmetryData *)new OpenBabel::OBSymmetryData((OpenBabel::OBSymmetryData const &)*arg1); + *(OpenBabel::OBSymmetryData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSymmetryData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBSymmetryData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBSymmetryData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSymmetryData_1SetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jstring jarg3) { + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + std::string arg2 ; + std::string arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + arg2 = std::string(arg2_pstr); + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return ; + arg3 = std::string(arg3_pstr); + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + (arg1)->SetData(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSymmetryData_1SetData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + std::string arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + arg2 = std::string(arg2_pstr); + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSymmetryData_1SetPointGroup(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + std::string arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + arg2 = std::string(arg2_pstr); + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetPointGroup(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSymmetryData_1SetSpaceGroup(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + std::string arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + arg2 = std::string(arg2_pstr); + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetSpaceGroup(arg2); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBSymmetryData_1GetPointGroup(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + result = (arg1)->GetPointGroup(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBSymmetryData_1GetSpaceGroup(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSymmetryData **)&jarg1; + result = (arg1)->GetSpaceGroup(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBTorsion_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTorsion *arg1 = 0 ; + OpenBabel::OBTorsion *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBTorsion const & reference is null"); + return 0; + } + result = (OpenBabel::OBTorsion *)new OpenBabel::OBTorsion((OpenBabel::OBTorsion const &)*arg1); + *(OpenBabel::OBTorsion **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBTorsion(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBTorsion_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + (arg1)->Clear(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1Empty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + result = (bool)(arg1)->Empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1AddTorsion_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_, jlong jarg5, jobject jarg5_) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg5 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + (void)jarg5_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + arg5 = *(OpenBabel::OBAtom **)&jarg5; + result = (bool)(arg1)->AddTorsion(arg2,arg3,arg4,arg5); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1AddTorsion_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + OpenBabel::quad *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + arg2 = *(OpenBabel::quad **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::quad & reference is null"); + return 0; + } + result = (bool)(arg1)->AddTorsion(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1SetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jlong jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + double arg2 ; + unsigned int arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + arg2 = (double)jarg2; + arg3 = (unsigned int)jarg3; + result = (bool)(arg1)->SetAngle(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1SetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + double arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + arg2 = (double)jarg2; + result = (bool)(arg1)->SetAngle(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(arg1)->SetData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1GetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + double *arg2 = 0 ; + unsigned int arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + arg2 = *(double **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "double & reference is null"); + return 0; + } + arg3 = (unsigned int)jarg3; + result = (bool)(arg1)->GetAngle(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1GetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + double *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + arg2 = *(double **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "double & reference is null"); + return 0; + } + result = (bool)(arg1)->GetAngle(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTorsion_1GetBondIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + result = (unsigned int)(arg1)->GetBondIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTorsion_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + result = (unsigned int)((OpenBabel::OBTorsion const *)arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTorsion_1GetBC(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + result = (arg1)->GetBC(); + *(std::pair **)&jresult = new std::pair((std::pair &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTorsion_1GetADs(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + SwigValueWrapper > > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + result = (arg1)->GetADs(); + *(std::vector > **)&jresult = new std::vector >((std::vector > &)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsion_1IsProtonRotor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsion **)&jarg1; + result = (bool)(arg1)->IsProtonRotor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTorsionData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBTorsionData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBTorsionData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBTorsionData_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsionData **)&jarg1; + (arg1)->Clear(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTorsionData_1GetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsionData **)&jarg1; + result = ((OpenBabel::OBTorsionData const *)arg1)->GetData(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBTorsionData_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsionData **)&jarg1; + result = (unsigned int)((OpenBabel::OBTorsionData const *)arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBTorsionData_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; + OpenBabel::OBTorsion *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBTorsionData **)&jarg1; + arg2 = *(OpenBabel::OBTorsion **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBTorsion & reference is null"); + return ; + } + (arg1)->SetData(*arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBTorsionData_1FillTorsionArray(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; + std::vector > *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTorsionData **)&jarg1; + arg2 = *(std::vector > **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector > & reference is null"); + return 0; + } + result = (bool)(arg1)->FillTorsionArray(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBTorsionData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBTorsionData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAngle_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAngle *arg1 = 0 ; + OpenBabel::OBAngle *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngle **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAngle const & reference is null"); + return 0; + } + result = (OpenBabel::OBAngle *)new OpenBabel::OBAngle((OpenBabel::OBAngle const &)*arg1); + *(OpenBabel::OBAngle **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBAngle(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBAngle **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAngle_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngle **)&jarg1; + (arg1)->Clear(); +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAngle_1GetAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngle **)&jarg1; + result = (double)((OpenBabel::OBAngle const *)arg1)->GetAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAngle_1SetAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngle **)&jarg1; + arg2 = (double)jarg2; + (arg1)->SetAngle(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAngle_1SetAtoms_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_) { + OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBAngle **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + (arg1)->SetAtoms(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAngle_1SetAtoms_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; + OpenBabel::triple *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngle **)&jarg1; + arg2 = *(OpenBabel::triple **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::triple & reference is null"); + return ; + } + (arg1)->SetAtoms(*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAngleData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAngleData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBAngleData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAngleData_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngleData **)&jarg1; + (arg1)->Clear(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAngleData_1FillAngleArray(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3) { + jlong jresult = 0 ; + OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; + int **arg2 = (int **) 0 ; + unsigned int *arg3 = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngleData **)&jarg1; + arg2 = *(int ***)&jarg2; + arg3 = *(unsigned int **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "unsigned int & reference is null"); + return 0; + } + result = (unsigned int)(arg1)->FillAngleArray(arg2,*arg3); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAngleData_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; + OpenBabel::OBAngle *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAngleData **)&jarg1; + arg2 = *(OpenBabel::OBAngle **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAngle & reference is null"); + return ; + } + (arg1)->SetData(*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAngleData_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAngleData **)&jarg1; + result = (unsigned int)((OpenBabel::OBAngleData const *)arg1)->GetSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBAngleData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBAngleData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBChiralData_1GetAtom4Refs(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + OpenBabel::atomreftype arg2 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + arg2 = (OpenBabel::atomreftype)jarg2; + result = ((OpenBabel::OBChiralData const *)arg1)->GetAtom4Refs(arg2); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBChiralData_1GetAtomRef(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jlong jresult = 0 ; + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + int arg2 ; + OpenBabel::atomreftype arg3 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + arg2 = (int)jarg2; + arg3 = (OpenBabel::atomreftype)jarg3; + result = (unsigned int)(arg1)->GetAtomRef(arg2,arg3); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBChiralData_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBChiralData *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBChiralData *)new OpenBabel::OBChiralData(); + *(OpenBabel::OBChiralData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBChiralData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBChiralData *arg1 = 0 ; + OpenBabel::OBChiralData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBChiralData const & reference is null"); + return 0; + } + result = (OpenBabel::OBChiralData *)new OpenBabel::OBChiralData((OpenBabel::OBChiralData const &)*arg1); + *(OpenBabel::OBChiralData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBChiralData_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBChiralData const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBChiralData(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBChiralData_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + (arg1)->Clear(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBChiralData_1SetAtom4Refs(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jint jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + SwigValueWrapper > arg2 ; + OpenBabel::atomreftype arg3 ; + bool result; + std::vector *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + argp2 = *(std::vector **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector"); + return 0; + } + arg2 = *argp2; + arg3 = (OpenBabel::atomreftype)jarg3; + result = (bool)(arg1)->SetAtom4Refs(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBChiralData_1AddAtomRef(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jint jarg3) { + jint jresult = 0 ; + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + unsigned int arg2 ; + OpenBabel::atomreftype arg3 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + arg2 = (unsigned int)jarg2; + arg3 = (OpenBabel::atomreftype)jarg3; + result = (int)(arg1)->AddAtomRef(arg2,arg3); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBChiralData_1GetSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; + OpenBabel::atomreftype arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChiralData **)&jarg1; + arg2 = (OpenBabel::atomreftype)jarg2; + result = (unsigned int)((OpenBabel::OBChiralData const *)arg1)->GetSize(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSerialNums_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBSerialNums *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBSerialNums *)new OpenBabel::OBSerialNums(); + *(OpenBabel::OBSerialNums **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSerialNums_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSerialNums *arg1 = 0 ; + OpenBabel::OBSerialNums *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSerialNums **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBSerialNums const & reference is null"); + return 0; + } + result = (OpenBabel::OBSerialNums *)new OpenBabel::OBSerialNums((OpenBabel::OBSerialNums const &)*arg1); + *(OpenBabel::OBSerialNums **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSerialNums_1Clone(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBSerialNums *arg1 = (OpenBabel::OBSerialNums *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSerialNums **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (OpenBabel::OBGenericData *)((OpenBabel::OBSerialNums const *)arg1)->Clone(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSerialNums_1GetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSerialNums *arg1 = (OpenBabel::OBSerialNums *) 0 ; + std::map *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSerialNums **)&jarg1; + { + std::map &_result_ref = (arg1)->GetData(); + result = (std::map *) &_result_ref; + } + *(std::map **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSerialNums_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBSerialNums *arg1 = (OpenBabel::OBSerialNums *) 0 ; + std::map *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSerialNums **)&jarg1; + arg2 = *(std::map **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::map & reference is null"); + return ; + } + (arg1)->SetData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBSerialNums(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBSerialNums *arg1 = (OpenBabel::OBSerialNums *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBSerialNums **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBBase(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBBase **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBase_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBBase_1ClassDescription(JNIEnv *jenv, jclass jcls) { + jstring jresult = 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + result = (char *)OpenBabel::OBBase::ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBase_1HasData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + std::string *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + result = (bool)(arg1)->HasData((std::string const &)*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBase_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBase_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + arg2 = (unsigned int)jarg2; + (arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBase_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBase_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBase_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBase_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + result = (unsigned int)((OpenBabel::OBBase const *)arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBase_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBase_1GetData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jlong jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + std::string *arg2 = 0 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + result = (OpenBabel::OBGenericData *)(arg1)->GetData((std::string const &)*arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBase_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + { + std::vector &_result_ref = (arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBase_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + result = (arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBase_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBase **)&jarg1; + result = (arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBBase(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBBase *)new OpenBabel::OBBase(); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBError_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jstring jarg1, jstring jarg2, jstring jarg3, jstring jarg4, jstring jarg5, jint jarg6) { + jlong jresult = 0 ; + std::string *arg1 = 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + std::string *arg4 = 0 ; + std::string *arg5 = 0 ; + OpenBabel::obMessageLevel arg6 ; + OpenBabel::OBError *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + std::string arg1_str(arg1_pstr); + arg1 = &arg1_str; + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + if(!jarg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg4_pstr = (const char *)jenv->GetStringUTFChars(jarg4, 0); + if (!arg4_pstr) return 0; + std::string arg4_str(arg4_pstr); + arg4 = &arg4_str; + jenv->ReleaseStringUTFChars(jarg4, arg4_pstr); + if(!jarg5) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg5_pstr = (const char *)jenv->GetStringUTFChars(jarg5, 0); + if (!arg5_pstr) return 0; + std::string arg5_str(arg5_pstr); + arg5 = &arg5_str; + jenv->ReleaseStringUTFChars(jarg5, arg5_pstr); + arg6 = (OpenBabel::obMessageLevel)jarg6; + result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3,(std::string const &)*arg4,(std::string const &)*arg5,arg6); + *(OpenBabel::OBError **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBError_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jstring jarg1, jstring jarg2, jstring jarg3, jstring jarg4, jstring jarg5) { + jlong jresult = 0 ; + std::string *arg1 = 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + std::string *arg4 = 0 ; + std::string *arg5 = 0 ; + OpenBabel::OBError *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + std::string arg1_str(arg1_pstr); + arg1 = &arg1_str; + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + if(!jarg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg4_pstr = (const char *)jenv->GetStringUTFChars(jarg4, 0); + if (!arg4_pstr) return 0; + std::string arg4_str(arg4_pstr); + arg4 = &arg4_str; + jenv->ReleaseStringUTFChars(jarg4, arg4_pstr); + if(!jarg5) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg5_pstr = (const char *)jenv->GetStringUTFChars(jarg5, 0); + if (!arg5_pstr) return 0; + std::string arg5_str(arg5_pstr); + arg5 = &arg5_str; + jenv->ReleaseStringUTFChars(jarg5, arg5_pstr); + result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3,(std::string const &)*arg4,(std::string const &)*arg5); + *(OpenBabel::OBError **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBError_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jstring jarg1, jstring jarg2, jstring jarg3, jstring jarg4) { + jlong jresult = 0 ; + std::string *arg1 = 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + std::string *arg4 = 0 ; + OpenBabel::OBError *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + std::string arg1_str(arg1_pstr); + arg1 = &arg1_str; + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + if(!jarg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg4_pstr = (const char *)jenv->GetStringUTFChars(jarg4, 0); + if (!arg4_pstr) return 0; + std::string arg4_str(arg4_pstr); + arg4 = &arg4_str; + jenv->ReleaseStringUTFChars(jarg4, arg4_pstr); + result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3,(std::string const &)*arg4); + *(OpenBabel::OBError **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBError_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jstring jarg1, jstring jarg2, jstring jarg3) { + jlong jresult = 0 ; + std::string *arg1 = 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + OpenBabel::OBError *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + std::string arg1_str(arg1_pstr); + arg1 = &arg1_str; + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3); + *(OpenBabel::OBError **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBError_1_1SWIG_14(JNIEnv *jenv, jclass jcls, jstring jarg1, jstring jarg2) { + jlong jresult = 0 ; + std::string *arg1 = 0 ; + std::string *arg2 = 0 ; + OpenBabel::OBError *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + std::string arg1_str(arg1_pstr); + arg1 = &arg1_str; + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return 0; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2); + *(OpenBabel::OBError **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBError_1_1SWIG_15(JNIEnv *jenv, jclass jcls, jstring jarg1) { + jlong jresult = 0 ; + std::string *arg1 = 0 ; + OpenBabel::OBError *result = 0 ; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + std::string arg1_str(arg1_pstr); + arg1 = &arg1_str; + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1); + *(OpenBabel::OBError **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBError_1_1SWIG_16(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBError *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBError *)new OpenBabel::OBError(); + *(OpenBabel::OBError **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBError_1message(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBError **)&jarg1; + result = ((OpenBabel::OBError const *)arg1)->message(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBError_1GetMethod(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBError **)&jarg1; + result = (arg1)->GetMethod(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBError_1GetError(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBError **)&jarg1; + result = (arg1)->GetError(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBError_1GetExplanation(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBError **)&jarg1; + result = (arg1)->GetExplanation(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBError_1GetPossibleCause(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBError **)&jarg1; + result = (arg1)->GetPossibleCause(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBError_1GetSuggestedRemedy(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBError **)&jarg1; + result = (arg1)->GetSuggestedRemedy(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBError_1GetLevel(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + OpenBabel::obMessageLevel result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBError **)&jarg1; + result = (OpenBabel::obMessageLevel)(arg1)->GetLevel(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBError(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBError **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMessageHandler(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBMessageHandler *)new OpenBabel::OBMessageHandler(); + *(OpenBabel::OBMessageHandler **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBMessageHandler(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1ThrowError_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + OpenBabel::OBError arg2 ; + OpenBabel::OBError *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + argp2 = *(OpenBabel::OBError **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null OpenBabel::OBError"); + return ; + } + arg2 = *argp2; + (arg1)->ThrowError(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1ThrowError_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jstring jarg3, jint jarg4) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + OpenBabel::obMessageLevel arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return ; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + arg4 = (OpenBabel::obMessageLevel)jarg4; + (arg1)->ThrowError((std::string const &)*arg2,(std::string const &)*arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1ThrowError_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jstring jarg3) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + std::string *arg2 = 0 ; + std::string *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return ; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + (arg1)->ThrowError((std::string const &)*arg2,(std::string const &)*arg3); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetMessagesOfLevel(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + OpenBabel::obMessageLevel arg2 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + arg2 = (OpenBabel::obMessageLevel)jarg2; + result = (arg1)->GetMessagesOfLevel(arg2); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1StartLogging(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + (arg1)->StartLogging(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1StopLogging(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + (arg1)->StopLogging(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1SetMaxLogEntries(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + arg2 = (unsigned int)jarg2; + (arg1)->SetMaxLogEntries(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetMaxLogEntries(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (unsigned int)(arg1)->GetMaxLogEntries(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1ClearLog(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + (arg1)->ClearLog(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1SetOutputLevel(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + OpenBabel::obMessageLevel arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + arg2 = (OpenBabel::obMessageLevel)jarg2; + (arg1)->SetOutputLevel(arg2); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMessageHandler_1GetOutputLevel(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + OpenBabel::obMessageLevel result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (OpenBabel::obMessageLevel)(arg1)->GetOutputLevel(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMessageHandler_1SetOutputStream(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + std::ostream *arg2 = (std::ostream *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + arg2 = *(std::ostream **)&jarg2; + (arg1)->SetOutputStream(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetOutputStream(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + std::ostream *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (std::ostream *)(arg1)->GetOutputStream(); + *(std::ostream **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMessageHandler_1StartErrorWrap(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (bool)(arg1)->StartErrorWrap(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMessageHandler_1StopErrorWrap(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (bool)(arg1)->StopErrorWrap(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetErrorMessageCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (unsigned int)(arg1)->GetErrorMessageCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetWarningMessageCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (unsigned int)(arg1)->GetWarningMessageCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetInfoMessageCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (unsigned int)(arg1)->GetInfoMessageCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetAuditMessageCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (unsigned int)(arg1)->GetAuditMessageCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMessageHandler_1GetDebugMessageCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (unsigned int)(arg1)->GetDebugMessageCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMessageHandler_1GetMessageSummary(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + result = (arg1)->GetMessageSummary(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_obErrorLog_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMessageHandler *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMessageHandler **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMessageHandler const & reference is null"); + return ; + } + OpenBabel::obErrorLog = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_obErrorLog_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBMessageHandler *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBMessageHandler const &_result_ref = OpenBabel::obErrorLog; + result = (OpenBabel::OBMessageHandler *) &_result_ref; + } + *(OpenBabel::OBMessageHandler **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1obLogBuf(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::obLogBuf *arg1 = (OpenBabel::obLogBuf *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::obLogBuf **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1obLogBuf(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::obLogBuf *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::obLogBuf *)new OpenBabel::obLogBuf(); + *(OpenBabel::obLogBuf **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBFormat_1ReadMolecule(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jboolean jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + arg3 = *(OpenBabel::OBConversion **)&jarg3; + result = (bool)(arg1)->ReadMolecule(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBFormat_1ReadChemObject(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + arg2 = *(OpenBabel::OBConversion **)&jarg2; + result = (bool)(arg1)->ReadChemObject(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBFormat_1WriteMolecule(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jboolean jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + arg3 = *(OpenBabel::OBConversion **)&jarg3; + result = (bool)(arg1)->WriteMolecule(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBFormat_1WriteChemObject(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + arg2 = *(OpenBabel::OBConversion **)&jarg2; + result = (bool)(arg1)->WriteChemObject(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBFormat_1Description(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + result = (char *)(arg1)->Description(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBFormat_1TargetClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + result = (char *)(arg1)->TargetClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBFormat_1GetType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + std::type_info *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + { + std::type_info const &_result_ref = (arg1)->GetType(); + result = (std::type_info *) &_result_ref; + } + *(std::type_info **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBFormat_1SpecificationURL(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + result = (char *)(arg1)->SpecificationURL(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBFormat_1GetMIMEType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + result = (char *)(arg1)->GetMIMEType(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBFormat_1Flags(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + result = (unsigned int)(arg1)->Flags(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBFormat_1SkipObjects(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_) { + jint jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + int arg2 ; + OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(OpenBabel::OBConversion **)&jarg3; + result = (int)(arg1)->SkipObjects(arg2,arg3); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBFormat_1MakeNewInstance(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + OpenBabel::OBFormat *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + result = (OpenBabel::OBFormat *)(arg1)->MakeNewInstance(); + *(OpenBabel::OBFormat **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBFormat(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBFormat **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1CharPtrLess(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::CharPtrLess *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::CharPtrLess *)new OpenBabel::CharPtrLess(); + *(OpenBabel::CharPtrLess **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1CharPtrLess(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::CharPtrLess *arg1 = (OpenBabel::CharPtrLess *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::CharPtrLess **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBConversion_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2) { + jlong jresult = 0 ; + std::istream *arg1 = (std::istream *) 0 ; + std::ostream *arg2 = (std::ostream *) 0 ; + OpenBabel::OBConversion *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::istream **)&jarg1; + arg2 = *(std::ostream **)&jarg2; + result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion(arg1,arg2); + *(OpenBabel::OBConversion **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBConversion_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong jresult = 0 ; + std::istream *arg1 = (std::istream *) 0 ; + OpenBabel::OBConversion *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::istream **)&jarg1; + result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion(arg1); + *(OpenBabel::OBConversion **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBConversion_1_1SWIG_12(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBConversion *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion(); + *(OpenBabel::OBConversion **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBConversion_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = 0 ; + OpenBabel::OBConversion *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBConversion const & reference is null"); + return 0; + } + result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion((OpenBabel::OBConversion const &)*arg1); + *(OpenBabel::OBConversion **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBConversion(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBConversion_1RegisterFormat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jstring jarg1, jlong jarg2, jobject jarg2_, jstring jarg3) { + jint jresult = 0 ; + char *arg1 = (char *) 0 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + char *arg3 = (char *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg2_; + arg1 = 0; + if (jarg1) { + arg1 = (char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1) return 0; + } + arg2 = *(OpenBabel::OBFormat **)&jarg2; + arg3 = 0; + if (jarg3) { + arg3 = (char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3) return 0; + } + result = (int)OpenBabel::OBConversion::RegisterFormat((char const *)arg1,arg2,(char const *)arg3); + jresult = (jint)result; + if (arg1) jenv->ReleaseStringUTFChars(jarg1, (const char *)arg1); + if (arg3) jenv->ReleaseStringUTFChars(jarg3, (const char *)arg3); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBConversion_1RegisterFormat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jstring jarg1, jlong jarg2, jobject jarg2_) { + jint jresult = 0 ; + char *arg1 = (char *) 0 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg2_; + arg1 = 0; + if (jarg1) { + arg1 = (char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1) return 0; + } + arg2 = *(OpenBabel::OBFormat **)&jarg2; + result = (int)OpenBabel::OBConversion::RegisterFormat((char const *)arg1,arg2); + jresult = (jint)result; + if (arg1) jenv->ReleaseStringUTFChars(jarg1, (const char *)arg1); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1FindFormat(JNIEnv *jenv, jclass jcls, jstring jarg1) { + jlong jresult = 0 ; + char *arg1 = (char *) 0 ; + OpenBabel::OBFormat *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = 0; + if (jarg1) { + arg1 = (char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1) return 0; + } + result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::FindFormat((char const *)arg1); + *(OpenBabel::OBFormat **)&jresult = result; + if (arg1) jenv->ReleaseStringUTFChars(jarg1, (const char *)arg1); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1FormatFromExt(JNIEnv *jenv, jclass jcls, jstring jarg1) { + jlong jresult = 0 ; + char *arg1 = (char *) 0 ; + OpenBabel::OBFormat *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = 0; + if (jarg1) { + arg1 = (char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1) return 0; + } + result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::FormatFromExt((char const *)arg1); + *(OpenBabel::OBFormat **)&jresult = result; + if (arg1) jenv->ReleaseStringUTFChars(jarg1, (const char *)arg1); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1FormatFromMIME(JNIEnv *jenv, jclass jcls, jstring jarg1) { + jlong jresult = 0 ; + char *arg1 = (char *) 0 ; + OpenBabel::OBFormat *result = 0 ; + + (void)jenv; + (void)jcls; + arg1 = 0; + if (jarg1) { + arg1 = (char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1) return 0; + } + result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::FormatFromMIME((char const *)arg1); + *(OpenBabel::OBFormat **)&jresult = result; + if (arg1) jenv->ReleaseStringUTFChars(jarg1, (const char *)arg1); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1GetNextFormat(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jlong jarg3) { + jboolean jresult = 0 ; + OpenBabel::Formatpos *arg1 = 0 ; + char **arg2 = 0 ; + OpenBabel::OBFormat **arg3 = 0 ; + bool result; + char *temp2 = 0 ; + OpenBabel::OBFormat *temp3 = 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::Formatpos **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::Formatpos & reference is null"); + return 0; + } + temp2 = *(char **)&jarg2; + arg2 = &temp2; + temp3 = *(OpenBabel::OBFormat **)&jarg3; + arg3 = &temp3; + result = (bool)OpenBabel::OBConversion::GetNextFormat(*arg1,(char const *&)*arg2,*arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1Description(JNIEnv *jenv, jclass jcls) { + jstring jresult = 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + result = (char *)OpenBabel::OBConversion::Description(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetInStream(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::istream *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (std::istream *)((OpenBabel::OBConversion const *)arg1)->GetInStream(); + *(std::istream **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetOutStream(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::ostream *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (std::ostream *)((OpenBabel::OBConversion const *)arg1)->GetOutStream(); + *(std::ostream **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetInStream(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::istream *arg2 = (std::istream *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(std::istream **)&jarg2; + (arg1)->SetInStream(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetOutStream(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::ostream *arg2 = (std::ostream *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(std::ostream **)&jarg2; + (arg1)->SetOutStream(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1SetInAndOutFormats_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jstring jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + char *arg3 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + arg3 = 0; + if (jarg3) { + arg3 = (char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3) return 0; + } + result = (bool)(arg1)->SetInAndOutFormats((char const *)arg2,(char const *)arg3); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + if (arg3) jenv->ReleaseStringUTFChars(jarg3, (const char *)arg3); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1SetInAndOutFormats_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + OpenBabel::OBFormat *arg3 = (OpenBabel::OBFormat *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBFormat **)&jarg2; + arg3 = *(OpenBabel::OBFormat **)&jarg3; + result = (bool)(arg1)->SetInAndOutFormats(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1SetInFormat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(arg1)->SetInFormat((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1SetInFormat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBFormat **)&jarg2; + result = (bool)(arg1)->SetInFormat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1SetOutFormat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(arg1)->SetOutFormat((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1SetOutFormat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBFormat **)&jarg2; + result = (bool)(arg1)->SetOutFormat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetInFormat(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBFormat *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (OpenBabel::OBFormat *)((OpenBabel::OBConversion const *)arg1)->GetInFormat(); + *(OpenBabel::OBFormat **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetOutFormat(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBFormat *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (OpenBabel::OBFormat *)((OpenBabel::OBConversion const *)arg1)->GetOutFormat(); + *(OpenBabel::OBFormat **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1GetInFilename(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = ((OpenBabel::OBConversion const *)arg1)->GetInFilename(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetInPos(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::streampos result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = ((OpenBabel::OBConversion const *)arg1)->GetInPos(); + *(std::streampos **)&jresult = new std::streampos((std::streampos &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetInLen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + size_t result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = ((OpenBabel::OBConversion const *)arg1)->GetInLen(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1GetTitle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (char *)((OpenBabel::OBConversion const *)arg1)->GetTitle(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetAuxConv(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBConversion *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (OpenBabel::OBConversion *)((OpenBabel::OBConversion const *)arg1)->GetAuxConv(); + *(OpenBabel::OBConversion **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetAuxConv(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBConversion **)&jarg2; + (arg1)->SetAuxConv(arg2); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1IsOption_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jint jarg3) { + jstring jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBConversion::Option_type arg3 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + arg3 = (OpenBabel::OBConversion::Option_type)jarg3; + result = (char *)(arg1)->IsOption((char const *)arg2,arg3); + if(result) jresult = jenv->NewStringUTF((const char *)result); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1IsOption_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jstring jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (char *)(arg1)->IsOption((char const *)arg2); + if(result) jresult = jenv->NewStringUTF((const char *)result); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetOptions(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBConversion::Option_type arg2 ; + std::map *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = (OpenBabel::OBConversion::Option_type)jarg2; + result = (std::map *)(arg1)->GetOptions(arg2); + *(std::map **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1AddOption_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jint jarg3, jstring jarg4) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBConversion::Option_type arg3 ; + char *arg4 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + arg3 = (OpenBabel::OBConversion::Option_type)jarg3; + arg4 = 0; + if (jarg4) { + arg4 = (char *)jenv->GetStringUTFChars(jarg4, 0); + if (!arg4) return ; + } + (arg1)->AddOption((char const *)arg2,arg3,(char const *)arg4); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + if (arg4) jenv->ReleaseStringUTFChars(jarg4, (const char *)arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1AddOption_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jint jarg3) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBConversion::Option_type arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + arg3 = (OpenBabel::OBConversion::Option_type)jarg3; + (arg1)->AddOption((char const *)arg2,arg3); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1RemoveOption(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jint jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBConversion::Option_type arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + arg3 = (OpenBabel::OBConversion::Option_type)jarg3; + result = (bool)(arg1)->RemoveOption((char const *)arg2,arg3); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetOptions(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2, jint jarg3) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBConversion::Option_type arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + arg3 = (OpenBabel::OBConversion::Option_type)jarg3; + (arg1)->SetOptions((char const *)arg2,arg3); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1RegisterOptionParam_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jstring jarg1, jlong jarg2, jobject jarg2_, jint jarg3, jint jarg4) { + std::string arg1 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + int arg3 ; + OpenBabel::OBConversion::Option_type arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg2_; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return ; + arg1 = std::string(arg1_pstr); + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + arg2 = *(OpenBabel::OBFormat **)&jarg2; + arg3 = (int)jarg3; + arg4 = (OpenBabel::OBConversion::Option_type)jarg4; + OpenBabel::OBConversion::RegisterOptionParam(arg1,arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1RegisterOptionParam_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jstring jarg1, jlong jarg2, jobject jarg2_, jint jarg3) { + std::string arg1 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + int arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg2_; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return ; + arg1 = std::string(arg1_pstr); + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + arg2 = *(OpenBabel::OBFormat **)&jarg2; + arg3 = (int)jarg3; + OpenBabel::OBConversion::RegisterOptionParam(arg1,arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1RegisterOptionParam_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jstring jarg1, jlong jarg2, jobject jarg2_) { + std::string arg1 ; + OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg2_; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return ; + arg1 = std::string(arg1_pstr); + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + arg2 = *(OpenBabel::OBFormat **)&jarg2; + OpenBabel::OBConversion::RegisterOptionParam(arg1,arg2); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBConversion_1GetOptionParams(JNIEnv *jenv, jclass jcls, jstring jarg1, jint jarg2) { + jint jresult = 0 ; + std::string arg1 ; + OpenBabel::OBConversion::Option_type arg2 ; + int result; + + (void)jenv; + (void)jcls; + if(!jarg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg1_pstr = (const char *)jenv->GetStringUTFChars(jarg1, 0); + if (!arg1_pstr) return 0; + arg1 = std::string(arg1_pstr); + jenv->ReleaseStringUTFChars(jarg1, arg1_pstr); + arg2 = (OpenBabel::OBConversion::Option_type)jarg2; + result = (int)OpenBabel::OBConversion::GetOptionParams(arg1,arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBConversion_1Convert_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3) { + jint jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::istream *arg2 = (std::istream *) 0 ; + std::ostream *arg3 = (std::ostream *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(std::istream **)&jarg2; + arg3 = *(std::ostream **)&jarg3; + result = (int)(arg1)->Convert(arg2,arg3); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBConversion_1Convert_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (int)(arg1)->Convert(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBConversion_1FullConvert(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jlong jarg4) { + jint jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + std::vector *arg2 = 0 ; + std::string *arg3 = 0 ; + std::vector *arg4 = 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + arg3 = *(std::string **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + arg4 = *(std::vector **)&jarg4; + if(!arg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + result = (int)(arg1)->FullConvert(*arg2,*arg3,*arg4); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1AddChemObject(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (bool)(arg1)->AddChemObject(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetChemObject(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (OpenBabel::OBBase *)(arg1)->GetChemObject(); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1IsLast(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (bool)(arg1)->IsLast(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1IsFirstInput(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (bool)(arg1)->IsFirstInput(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBConversion_1GetOutputIndex(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + result = (int)((OpenBabel::OBConversion const *)arg1)->GetOutputIndex(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetOutputIndex(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetOutputIndex(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetMoreFilesToCome(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + (arg1)->SetMoreFilesToCome(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetOneObjectOnly_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = jarg2 ? true : false; + (arg1)->SetOneObjectOnly(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBConversion_1SetOneObjectOnly_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + (arg1)->SetOneObjectOnly(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBConversion_1GetDefaultFormat(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBFormat *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::GetDefaultFormat(); + *(OpenBabel::OBFormat **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1Write_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + std::ostream *arg3 = (std::ostream *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + arg3 = *(std::ostream **)&jarg3; + result = (bool)(arg1)->Write(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1Write_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (bool)(arg1)->Write(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1WriteString_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jboolean jarg3) { + jstring jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + bool arg3 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + arg3 = jarg3 ? true : false; + result = (arg1)->WriteString(arg2,arg3); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1WriteString_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jstring jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (arg1)->WriteString(arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1WriteFile(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jstring jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + std::string arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + arg3 = std::string(arg3_pstr); + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + result = (bool)(arg1)->WriteFile(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1Read_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + std::istream *arg3 = (std::istream *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + arg3 = *(std::istream **)&jarg3; + result = (bool)(arg1)->Read(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1Read_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + result = (bool)(arg1)->Read(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1ReadString(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jstring jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + std::string arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + arg3 = std::string(arg3_pstr); + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + result = (bool)(arg1)->ReadString(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBConversion_1ReadFile(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jstring jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; + OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; + std::string arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBConversion **)&jarg1; + arg2 = *(OpenBabel::OBBase **)&jarg2; + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return 0; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return 0; + arg3 = std::string(arg3_pstr); + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + result = (bool)(arg1)->ReadFile(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1BatchFileName(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2) { + jstring jresult = 0 ; + std::string *arg1 = 0 ; + std::string *arg2 = 0 ; + std::string result; + + (void)jenv; + (void)jcls; + arg1 = *(std::string **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + result = OpenBabel::OBConversion::BatchFileName(*arg1,*arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBConversion_1IncrementedFileName(JNIEnv *jenv, jclass jcls, jlong jarg1, jint jarg2) { + jstring jresult = 0 ; + std::string *arg1 = 0 ; + int arg2 ; + std::string result; + + (void)jenv; + (void)jcls; + arg1 = *(std::string **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + arg2 = (int)jarg2; + result = OpenBabel::OBConversion::IncrementedFileName(*arg1,arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_NOTREADABLE_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x01; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_READONEONLY_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x02; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_READBINARY_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x04; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_ZEROATOMSOK_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x08; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_NOTWRITABLE_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x10; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_WRITEONEONLY_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x20; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_WRITEBINARY_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x40; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_DEFAULTFORMAT_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 0x4000; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidue_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBResidue *)new OpenBabel::OBResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidue_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBResidue const & reference is null"); + return 0; + } + result = (OpenBabel::OBResidue *)new OpenBabel::OBResidue((OpenBabel::OBResidue const &)*arg1); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBResidue(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1AddAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (arg1)->AddAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1InsertAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (arg1)->InsertAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1RemoveAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (arg1)->RemoveAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + (arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetName(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetName((std::string const &)*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = (unsigned int)jarg2; + (arg1)->SetNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetChain(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jchar jarg2) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + char arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = (char)jarg2; + (arg1)->SetChain(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetChainNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = (unsigned int)jarg2; + (arg1)->SetChainNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = (unsigned int)jarg2; + (arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetAtomID(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jstring jarg3) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + std::string *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return ; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + (arg1)->SetAtomID(arg2,(std::string const &)*arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetHetAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jboolean jarg3) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = jarg3 ? true : false; + (arg1)->SetHetAtom(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidue_1SetSerialNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + unsigned int arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = (unsigned int)jarg3; + (arg1)->SetSerialNum(arg2,arg3); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBResidue_1GetName(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = ((OpenBabel::OBResidue const *)arg1)->GetName(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetNumAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetNumAtoms(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jchar JNICALL Java_openbabelJNI_OBResidue_1GetChain(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jchar jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + char result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (char)((OpenBabel::OBResidue const *)arg1)->GetChain(); + jresult = (jchar)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetChainNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetChainNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetResKey(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetResKey(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = ((OpenBabel::OBResidue const *)arg1)->GetAtoms(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetBonds_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + bool arg2 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = jarg2 ? true : false; + result = ((OpenBabel::OBResidue const *)arg1)->GetBonds(arg2); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetBonds_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = ((OpenBabel::OBResidue const *)arg1)->GetBonds(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBResidue_1GetAtomID(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jstring jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = ((OpenBabel::OBResidue const *)arg1)->GetAtomID(arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1GetSerialNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetSerialNum(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidue_1GetAminoAcidProperty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = (int)jarg2; + result = (bool)((OpenBabel::OBResidue const *)arg1)->GetAminoAcidProperty(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidue_1GetAtomProperty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jint jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + int arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = (int)jarg3; + result = (bool)((OpenBabel::OBResidue const *)arg1)->GetAtomProperty(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidue_1GetResidueProperty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = (int)jarg2; + result = (bool)((OpenBabel::OBResidue const *)arg1)->GetResidueProperty(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidue_1IsHetAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)((OpenBabel::OBResidue const *)arg1)->IsHetAtom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidue_1IsResidueType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = (int)jarg2; + result = (bool)((OpenBabel::OBResidue const *)arg1)->IsResidueType(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1BeginAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (arg1)->BeginAtoms(); + *(OpenBabel::OBAtomIterator **)&jresult = new OpenBabel::OBAtomIterator((OpenBabel::OBAtomIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1EndAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (arg1)->EndAtoms(); + *(OpenBabel::OBAtomIterator **)&jresult = new OpenBabel::OBAtomIterator((OpenBabel::OBAtomIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1BeginAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(arg1)->BeginAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidue_1NextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(arg1)->NextAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_MAXSETNO_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 40; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_MAXELEM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 1024; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_MINELEM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 29; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_MAXRES_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 100; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_MINRES_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 54; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1ALA_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 1); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1GLY_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 2); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1LEU_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 3); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1SER_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 4); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1VAL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 5); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1THR_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 6); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1LYS_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 7); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1ASP_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 8); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1ILE_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 9); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1ASN_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 10); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1GLU_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 11); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1PRO_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 12); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1ARG_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 13); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1PHE_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 14); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1GLN_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 15); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1TYR_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 16); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1HIS_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 17); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1CYS_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 18); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1MET_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 19); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_AA_1TRP_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 20); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ACIDIC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::ACIDIC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ACYCLIC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::ACYCLIC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ALIPHATIC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::ALIPHATIC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_AROMATIC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::AROMATIC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_BASIC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::BASIC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_BURIED_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::BURIED; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CHARGED_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::CHARGED; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CYCLIC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::CYCLIC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_HYDROPHOBIC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::HYDROPHOBIC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_LARGE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::LARGE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_MEDIUM_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::MEDIUM; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NEGATIVE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::NEGATIVE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NEUTRAL_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::NEUTRAL; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_POLAR_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::POLAR; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_POSITIVE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::POSITIVE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SMALL_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::SMALL; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SURFACE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBAminoAcidProperty::SURFACE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ALPHA_1CARBON_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::ALPHA_CARBON; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_AMINO_1BACKBONE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::AMINO_BACKBONE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_BACKBONE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::BACKBONE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CYSTEINE_1SULPHUR_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::CYSTEINE_SULPHUR; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_LIGAND_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::LIGAND; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NUCLEIC_1BACKBONE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::NUCLEIC_BACKBONE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SHAPELY_1BACKBONE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::SHAPELY_BACKBONE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SHAPELY_1SPECIAL_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::SHAPELY_SPECIAL; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SIDECHAIN_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::SIDECHAIN; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SUGAR_1PHOSPHATE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueAtomProperty::SUGAR_PHOSPHATE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ALA_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::ALA; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_GLY_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::GLY; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_LEU_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::LEU; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SER_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::SER; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_VAL_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::VAL; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_THR_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::THR; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_LYS_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::LYS; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ASP_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::ASP; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ILE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::ILE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ASN_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::ASN; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_GLU_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::GLU; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PRO_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::PRO; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ARG_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::ARG; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PHE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::PHE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_GLN_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::GLN; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_TYR_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::TYR; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_HIS_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::HIS; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_CYS_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::CYS; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_MET_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::MET; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_TRP_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::TRP; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ASX_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::ASX; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_GLX_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::GLX; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PCA_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::PCA; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_HYP_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::HYP; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_A_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::A; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_C_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::C; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_G_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::G; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_T_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::T; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_U_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::U; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_UPLUS_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::UPLUS; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_I_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::I; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OMC_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::OMC; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_M2G_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::M2G; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OMG_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::OMG; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_YG_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::YG; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_H2U_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::H2U; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PSU_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::PSU; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_UNK_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::UNK; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ACE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::ACE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_FOR_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::FOR; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_HOH_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::HOH; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_DOD_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::DOD; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SO4_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::SO4; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PO4_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::PO4; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NAD_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::NAD; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_COA_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::COA; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NAP_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::NAP; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NDP_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueIndex::NDP; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_AMINO_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::AMINO; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_AMINO_1NUCLEO_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::AMINO_NUCLEO; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_COENZYME_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::COENZYME; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ION_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::ION; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_NUCLEO_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::NUCLEO; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PROTEIN_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::PROTEIN; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PURINE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::PURINE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_PYRIMIDINE_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::PYRIMIDINE; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SOLVENT_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::SOLVENT; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_WATER_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)(unsigned int)OpenBabel::OBResidueProperty::WATER; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_Residue_1set(JNIEnv *jenv, jclass jcls, jlong jarg1) { + char (*arg1)[4] ; + + (void)jenv; + (void)jcls; + arg1 = *(char (**)[4])&jarg1; + { + char (*inp)[4] = (char (*)[4])(arg1); + char (*dest)[4] = (char (*)[4])(OpenBabel::Residue); + size_t ii = 0; + for (; ii < 100; ++ii) { + char *ip = inp[ii]; + char *dp = dest[ii]; + size_t jj = 0; + for (; jj < 4; ++jj) dp[jj] = ip[jj]; + } + } + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_Residue_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + char (*result)[4] = 0 ; + + (void)jenv; + (void)jcls; + result = (char (*)[4])(char (*)[4])OpenBabel::Residue; + *(char (**)[4])&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_ElemDesc_1set(JNIEnv *jenv, jclass jcls, jlong jarg1) { + char (*arg1)[4] ; + + (void)jenv; + (void)jcls; + arg1 = *(char (**)[4])&jarg1; + { + char (*inp)[4] = (char (*)[4])(arg1); + char (*dest)[4] = (char (*)[4])(OpenBabel::ElemDesc); + size_t ii = 0; + for (; ii < 1024; ++ii) { + char *ip = inp[ii]; + char *dp = dest[ii]; + size_t jj = 0; + for (; jj < 4; ++jj) dp[jj] = ip[jj]; + } + } + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ElemDesc_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + char (*result)[4] = 0 ; + + (void)jenv; + (void)jcls; + result = (char (*)[4])(char (*)[4])OpenBabel::ElemDesc; + *(char (**)[4])&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_ResNo_1set(JNIEnv *jenv, jclass jcls, jlong jarg1) { + unsigned int arg1 ; + + (void)jenv; + (void)jcls; + arg1 = (unsigned int)jarg1; + OpenBabel::ResNo = arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ResNo_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)OpenBabel::ResNo; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_ElemNo_1set(JNIEnv *jenv, jclass jcls, jlong jarg1) { + unsigned int arg1 ; + + (void)jenv; + (void)jcls; + arg1 = (unsigned int)jarg1; + OpenBabel::ElemNo = arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ElemNo_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + result = (unsigned int)OpenBabel::ElemNo; + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_14RING_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 1); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_13RING_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 2); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1AROMATIC_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 3); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1RING_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 4); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1CSTEREO_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 5); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1ACSTEREO_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 6); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1DONOR_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 7); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1ACCEPTOR_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 8); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1CHIRAL_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 9); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1POS_1CHIRAL_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 10); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1NEG_1CHIRAL_1ATOM_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 11); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1ATOM_1HAS_1NO_1H_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 12); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool) ((arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAtom(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBAtom *)new OpenBabel::OBAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBAtom(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetHyb(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetAtomicNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (unsigned int)jarg2; + (arg1)->SetIsotope(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetImplicitValence(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1IncrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->IncrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1DecrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->DecrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetFormalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jshort jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + short arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (short)jarg2; + (arg1)->SetSpinMultiplicity(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetType_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->SetType(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetType_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + (arg1)->SetType(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (double)jarg2; + (arg1)->SetPartialCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetVector_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + (arg1)->SetVector(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetVector_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + (arg1)->SetVector(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double **arg2 = (double **) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(double ***)&jarg2; + (arg1)->SetCoordPtr(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetVector_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetVector(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + (arg1)->SetResidue(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetAntiClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetAntiClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetPositiveStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetNegativeStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1UnsetStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->UnsetStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1SetChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->SetChiral(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1ClearCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->ClearCoordPtr(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtom_1GetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (int)((OpenBabel::OBAtom const *)arg1)->GetFormalCharge(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetAtomicNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtom_1GetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned short result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned short)((OpenBabel::OBAtom const *)arg1)->GetIsotope(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtom_1GetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (int)((OpenBabel::OBAtom const *)arg1)->GetSpinMultiplicity(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetAtomicMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)((OpenBabel::OBAtom const *)arg1)->GetAtomicMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetExactMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)((OpenBabel::OBAtom const *)arg1)->GetExactMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetCoordinateIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetCoordinateIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetCIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetCIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetHyb(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetImplicitValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetHvyValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetHvyValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetHeteroValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetHeteroValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBAtom_1GetType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (char *)(arg1)->GetType(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetX(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->GetX(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1x(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->x(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetY(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->GetY(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1y(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->y(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetZ(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->GetZ(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1z(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->z(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetCoordinate(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double *)(arg1)->GetCoordinate(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + { + OpenBabel::vector3 &_result_ref = (arg1)->GetVector(); + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->GetPartialCharge(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (OpenBabel::OBResidue *)(arg1)->GetResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1GetNewBondVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg3 = (double)jarg3; + result = (bool)(arg1)->GetNewBondVector(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBBond *)(arg1)->GetBond(arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1GetNextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (OpenBabel::OBAtom *)(arg1)->GetNextAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1BeginBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (arg1)->BeginBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1EndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (arg1)->EndBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1BeginBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1NextBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1BeginNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(arg1)->BeginNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1NextNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(arg1)->NextNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetDistance_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + result = (double)(arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetDistance_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (double)(arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1GetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + result = (double)(arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1NewResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->NewResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1DeleteResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->DeleteResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1AddBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (arg1)->AddBond(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1InsertBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jobject jarg3_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBBond **)&jarg3; + (arg1)->InsertBond(*arg2,arg3); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1DeleteBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(arg1)->DeleteBond(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1ClearBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->ClearBond(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1CountFreeOxygens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->CountFreeOxygens(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1ImplicitHydrogenCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->ImplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1ExplicitHydrogenCount_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = jarg2 ? true : false; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->ExplicitHydrogenCount(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1ExplicitHydrogenCount_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->ExplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1MemberOfRingCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->MemberOfRingCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1MemberOfRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->MemberOfRingSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1CountRingBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->CountRingBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1SmallestBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->SmallestBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtom_1AverageBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (double)(arg1)->AverageBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1BOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->BOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtom_1KBOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->KBOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HtoMethyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HtoMethyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1SetHybAndGeom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(arg1)->SetHybAndGeom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtom_1ForceNoH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + (arg1)->ForceNoH(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasNoHForced(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasNoHForced(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasResidue(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsCarbon(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsCarbon(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsSulfur(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsSulfur(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsPhosphorus(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsPhosphorus(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)((OpenBabel::OBAtom const *)arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)((OpenBabel::OBAtom const *)arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsInRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (int)jarg2; + result = (bool)((OpenBabel::OBAtom const *)arg1)->IsInRingSize(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsHeteroatom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsHeteroatom(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsNotCorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsNotCorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsConnected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->IsConnected(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsOneThree(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->IsOneThree(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsOneFour(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->IsOneFour(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsCarboxylOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsCarboxylOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsPhosphateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsPhosphateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsSulfateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsSulfateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsNitroOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsNitroOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsAmideNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsAmideNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsNonPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsNonPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsAromaticNOxide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsAromaticNOxide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsChiral(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsAxial(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsAxial(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsAntiClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsAntiClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsPositiveStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsNegativeStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasChiralitySpecified(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasChiralitySpecified(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasChiralVolume(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasChiralVolume(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsHbondAcceptor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsHbondAcceptor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsHbondDonor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsHbondDonor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1IsHbondDonorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->IsHbondDonorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasAlphaBetaUnsat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = jarg2 ? true : false; + result = (bool)(arg1)->HasAlphaBetaUnsat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasAlphaBetaUnsat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasAlphaBetaUnsat(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasBondOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(arg1)->HasBondOfOrder(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtom_1CountBondsOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jint jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + unsigned int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (int)(arg1)->CountBondsOfOrder(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasNonSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasNonSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasDoubleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasDoubleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1HasAromaticBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (bool)(arg1)->HasAromaticBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtom_1MatchesSMARTS(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(arg1)->MatchesSMARTS((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1AROMATIC_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 1); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1WEDGE_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 2); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1HASH_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 3); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1RING_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 4); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1TORUP_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 5); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1TORDOWN_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 6); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1KSINGLE_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 7); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1KDOUBLE_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 8); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1KTRIPLE_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 9); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1CLOSURE_1BOND_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 10); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool) ((arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBBond(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBBond *)new OpenBabel::OBBond(); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBBond(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBBond **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetBO(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetBO(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetBegin(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (arg1)->SetBegin(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetEnd(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (arg1)->SetEnd(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = (double)jarg3; + (arg1)->SetLength(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1Set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_, jint jarg5, jint jarg6) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + int arg2 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + int arg5 ; + int arg6 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + arg5 = (int)jarg5; + arg6 = (int)jarg6; + (arg1)->Set(arg2,arg3,arg4,arg5,arg6); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetKSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetKSingle(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetKDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetKDouble(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetKTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetKTriple(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetHash(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetWedge(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetUp(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetDown(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1SetClosure(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->SetClosure(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1UnsetHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->UnsetHash(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1UnsetWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->UnsetWedge(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1UnsetUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->UnsetUp(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1UnsetDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->UnsetDown(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBBond_1UnsetKekule(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + (arg1)->UnsetKekule(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetBO(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetBO(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetBondOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetBondOrder(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetFlags(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetFlags(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetBeginAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetBeginAtomIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetEndAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetEndAtomIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetBeginAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (OpenBabel::OBAtom *)(arg1)->GetBeginAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetEndAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (OpenBabel::OBAtom *)(arg1)->GetEndAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBAtom *)(arg1)->GetNbrAtom(arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBBond_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBBond_1GetEquibLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (double)(arg1)->GetEquibLength(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBBond_1GetLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (double)(arg1)->GetLength(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBBond_1GetNbrAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jint jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (int)(arg1)->GetNbrAtomIdx(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)((OpenBabel::OBBond const *)arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)((OpenBabel::OBBond const *)arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsRotor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsRotor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsPrimaryAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsPrimaryAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsSecondaryAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsSecondaryAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsEster(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsEster(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsCarbonyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsCarbonyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsSingle(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsDouble(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsTriple(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsKSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsKSingle(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsKDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsKDouble(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsKTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsKTriple(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsClosure(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsClosure(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsUp(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsDown(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsWedge(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsHash(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBBond_1IsDoubleBondGeometry(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBBond **)&jarg1; + result = (bool)(arg1)->IsDoubleBondGeometry(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1SSSR_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 1); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1RINGFLAGS_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 2); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1AROMATIC_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 3); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1ATOMTYPES_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 4); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1CHIRALITY_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 5); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1PCHARGE_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 6); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1HYBRID_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 8); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1IMPVAL_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 9); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1KEKULE_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 10); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1CLOSURE_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 11); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1H_1ADDED_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 12); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1PH_1CORRECTED_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 13); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1AROM_1CORRECTED_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 14); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1CHAINS_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 15); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1TCHARGE_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 16); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1TSPIN_1MOL_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) (1 << 17); + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OB_1CURRENT_1CONFORMER_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) -1; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMol_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBMol *)new OpenBabel::OBMol(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMol_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol const & reference is null"); + return 0; + } + result = (OpenBabel::OBMol *)new OpenBabel::OBMol((OpenBabel::OBMol const &)*arg1); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBMol(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBMol **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1ReserveAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + (arg1)->ReserveAtoms(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1CreateAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBAtom *)(arg1)->CreateAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1CreateBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBBond *)(arg1)->CreateBond(); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1CreateResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBResidue *)(arg1)->CreateResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1DestroyAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (arg1)->DestroyAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1DestroyBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (arg1)->DestroyBond(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1DestroyResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + (arg1)->DestroyResidue(arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAtom & reference is null"); + return 0; + } + result = (bool)(arg1)->AddAtom(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddBond_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3, jint jarg4, jint jarg5, jint jarg6) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + int arg3 ; + int arg4 ; + int arg5 ; + int arg6 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + arg4 = (int)jarg4; + arg5 = (int)jarg5; + arg6 = (int)jarg6; + result = (bool)(arg1)->AddBond(arg2,arg3,arg4,arg5,arg6); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddBond_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3, jint jarg4, jint jarg5) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + int arg3 ; + int arg4 ; + int arg5 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + arg4 = (int)jarg4; + arg5 = (int)jarg5; + result = (bool)(arg1)->AddBond(arg2,arg3,arg4,arg5); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddBond_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3, jint jarg4) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + int arg3 ; + int arg4 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + arg4 = (int)jarg4; + result = (bool)(arg1)->AddBond(arg2,arg3,arg4); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddBond_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBBond *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBBond & reference is null"); + return 0; + } + result = (bool)(arg1)->AddBond(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBResidue *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBResidue & reference is null"); + return 0; + } + result = (bool)(arg1)->AddResidue(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1InsertAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAtom & reference is null"); + return 0; + } + result = (bool)(arg1)->InsertAtom(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1DeleteAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->DeleteAtom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1DeleteBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(arg1)->DeleteBond(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1DeleteResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + result = (bool)(arg1)->DeleteResidue(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NewAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBAtom *)(arg1)->NewAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NewResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBResidue *)(arg1)->NewResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1BeginModify(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->BeginModify(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1EndModify_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = jarg2 ? true : false; + (arg1)->EndModify(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1EndModify_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->EndModify(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMol_1GetMod(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (int)(arg1)->GetMod(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1IncrementMod(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->IncrementMod(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1DecrementMod(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->DecrementMod(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMol_1GetFlags(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (int)(arg1)->GetFlags(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMol_1GetTitle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (char *)((OpenBabel::OBMol const *)arg1)->GetTitle(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NumAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (unsigned int)((OpenBabel::OBMol const *)arg1)->NumAtoms(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NumBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (unsigned int)((OpenBabel::OBMol const *)arg1)->NumBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NumHvyAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (unsigned int)(arg1)->NumHvyAtoms(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NumResidues(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (unsigned int)((OpenBabel::OBMol const *)arg1)->NumResidues(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NumRotors(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (unsigned int)(arg1)->NumRotors(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + result = (OpenBabel::OBAtom *)(arg1)->GetAtom(arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetFirstAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBAtom *)(arg1)->GetFirstAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetBond_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + result = (OpenBabel::OBBond *)(arg1)->GetBond(arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetBond_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + int arg3 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (OpenBabel::OBBond *)(arg1)->GetBond(arg2,arg3); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetBond_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + result = (OpenBabel::OBBond *)(arg1)->GetBond(arg2,arg3); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + result = (OpenBabel::OBResidue *)(arg1)->GetResidue(arg2); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetInternalCoord(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->GetInternalCoord(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMol_1GetTorsion_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3, jint jarg4, jint jarg5) { + jdouble jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + int arg3 ; + int arg4 ; + int arg5 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + arg4 = (int)jarg4; + arg5 = (int)jarg5; + result = (double)(arg1)->GetTorsion(arg2,arg3,arg4,arg5); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMol_1GetTorsion_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_, jlong jarg5, jobject jarg5_) { + jdouble jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg5 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + (void)jarg5_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + arg5 = *(OpenBabel::OBAtom **)&jarg5; + result = (double)(arg1)->GetTorsion(arg2,arg3,arg4,arg5); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMol_1GetAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_) { + jdouble jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + result = (double)(arg1)->GetAngle(arg2,arg3,arg4); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMol_1GetFormula(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->GetFormula(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMol_1GetSpacedFormula_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jstring jarg3) { + jstring jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + char *arg3 = (char *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + arg3 = 0; + if (jarg3) { + arg3 = (char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3) return 0; + } + result = (arg1)->GetSpacedFormula(arg2,(char const *)arg3); + jresult = jenv->NewStringUTF((&result)->c_str()); + if (arg3) jenv->ReleaseStringUTFChars(jarg3, (const char *)arg3); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMol_1GetSpacedFormula_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jstring jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->GetSpacedFormula(arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMol_1GetSpacedFormula_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->GetSpacedFormula(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMol_1GetEnergy(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (double)((OpenBabel::OBMol const *)arg1)->GetEnergy(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMol_1GetMolWt(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (double)(arg1)->GetMolWt(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMol_1GetExactMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (double)(arg1)->GetExactMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMol_1GetTotalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (int)(arg1)->GetTotalCharge(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetTotalSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (unsigned int)(arg1)->GetTotalSpinMultiplicity(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMol_1GetDimension(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned short result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (unsigned short)((OpenBabel::OBMol const *)arg1)->GetDimension(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetCoordinates(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (double *)(arg1)->GetCoordinates(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetSSSR(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + { + std::vector &_result_ref = (arg1)->GetSSSR(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AutomaticFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->AutomaticFormalCharge(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AutomaticPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->AutomaticPartialCharge(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetTitle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (arg1)->SetTitle((char const *)arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetTitle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + (arg1)->SetTitle(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetFormula(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::string arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + arg2 = std::string(arg2_pstr); + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (arg1)->SetFormula(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetEnergy(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (double)jarg2; + (arg1)->SetEnergy(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetDimension(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned short arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (unsigned short)jarg2; + (arg1)->SetDimension(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetTotalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetTotalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetTotalSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (unsigned int)jarg2; + (arg1)->SetTotalSpinMultiplicity(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetInternalCoord(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper > arg2 ; + std::vector *argp2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + argp2 = *(std::vector **)&jarg2; + if (!argp2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "Attempt to dereference null std::vector"); + return ; + } + arg2 = *argp2; + (arg1)->SetInternalCoord(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetAutomaticFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = jarg2 ? true : false; + (arg1)->SetAutomaticFormalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetAutomaticPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = jarg2 ? true : false; + (arg1)->SetAutomaticPartialCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetAromaticPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetAromaticPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetSSSRPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetSSSRPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetRingAtomsAndBondsPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetRingAtomsAndBondsPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetAtomTypesPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetAtomTypesPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetChainsPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetChainsPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetChiralityPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetChiralityPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetPartialChargesPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetPartialChargesPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetHybridizationPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetHybridizationPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetImplicitValencePerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetImplicitValencePerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetKekulePerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetKekulePerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetClosureBondsPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetClosureBondsPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetHydrogensAdded(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetHydrogensAdded(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetCorrectedForPH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetCorrectedForPH(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetAromaticCorrected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetAromaticCorrected(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetSpinMultiplicityAssigned(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->SetSpinMultiplicityAssigned(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetFlags(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetFlags(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1UnsetAromaticPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->UnsetAromaticPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1UnsetPartialChargesPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->UnsetPartialChargesPerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1UnsetImplicitValencePerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->UnsetImplicitValencePerceived(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1UnsetFlag(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + (arg1)->UnsetFlag(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMol_1ClassDescription(JNIEnv *jenv, jclass jcls) { + jstring jresult = 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + result = (char *)OpenBabel::OBMol::ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->Clear(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1RenumberAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->RenumberAtoms(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1ToInertialFrame_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + double *arg3 = (double *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(double **)&jarg3; + (arg1)->ToInertialFrame(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1ToInertialFrame_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->ToInertialFrame(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1Translate_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 const & reference is null"); + return ; + } + (arg1)->Translate((OpenBabel::vector3 const &)*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1Translate_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jint jarg3) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + int arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 const & reference is null"); + return ; + } + arg3 = (int)jarg3; + (arg1)->Translate((OpenBabel::vector3 const &)*arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1Rotate_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double (*arg2)[3] ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(double (**)[3])&jarg2; + (arg1)->Rotate((double const (*)[3])arg2); + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1Rotate_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double *arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(double **)&jarg2; + (arg1)->Rotate((double const (*))arg2); + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1Rotate_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jint jarg3) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double *arg2 ; + int arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(double **)&jarg2; + arg3 = (int)jarg3; + (arg1)->Rotate((double const (*))arg2,arg3); + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1Center_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->Center(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1Kekulize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->Kekulize(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1PerceiveKekuleBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->PerceiveKekuleBonds(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1NewPerceiveKekuleBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->NewPerceiveKekuleBonds(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1DeleteHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->DeleteHydrogen(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1DeleteHydrogens_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->DeleteHydrogens(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1DeleteHydrogens_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->DeleteHydrogens(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1DeleteNonPolarHydrogens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->DeleteNonPolarHydrogens(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddHydrogens_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2, jboolean jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool arg2 ; + bool arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = jarg2 ? true : false; + arg3 = jarg3 ? true : false; + result = (bool)(arg1)->AddHydrogens(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddHydrogens_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = jarg2 ? true : false; + result = (bool)(arg1)->AddHydrogens(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddHydrogens_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->AddHydrogens(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddHydrogens_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->AddHydrogens(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AddPolarHydrogens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->AddPolarHydrogens(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1StripSalts(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->StripSalts(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1ConvertDativeBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->ConvertDativeBonds(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1CorrectForPH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->CorrectForPH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1AssignSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->AssignSpinMultiplicity(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1Center_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + OpenBabel::vector3 result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->Center(arg2); + *(OpenBabel::vector3 **)&jresult = new OpenBabel::vector3((OpenBabel::vector3 &)result); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetTorsion(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_, jlong jarg5, jobject jarg5_, jdouble jarg6) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg5 = (OpenBabel::OBAtom *) 0 ; + double arg6 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + (void)jarg5_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + arg5 = *(OpenBabel::OBAtom **)&jarg5; + arg6 = (double)jarg6; + (arg1)->SetTorsion(arg2,arg3,arg4,arg5,arg6); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1FindSSSR(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->FindSSSR(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1FindRingAtomsAndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->FindRingAtomsAndBonds(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1FindChiralCenters(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->FindChiralCenters(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1FindChildren_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jint jarg3, jint jarg4) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *arg2 = 0 ; + int arg3 ; + int arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + arg3 = (int)jarg3; + arg4 = (int)jarg4; + (arg1)->FindChildren(*arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1FindChildren_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *arg2 = 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + (arg1)->FindChildren(*arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1FindLargestFragment(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBBitVec *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBBitVec **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBBitVec & reference is null"); + return ; + } + (arg1)->FindLargestFragment(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1ContigFragList(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector > *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector > **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector > & reference is null"); + return ; + } + (arg1)->ContigFragList(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1Align(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_, jlong jarg5, jobject jarg5_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::vector3 *arg4 = 0 ; + OpenBabel::vector3 *arg5 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + (void)jarg5_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::vector3 **)&jarg4; + if(!arg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + arg5 = *(OpenBabel::vector3 **)&jarg5; + if(!arg5) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + (arg1)->Align(arg2,arg3,*arg4,*arg5); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1ConnectTheDots(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->ConnectTheDots(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1PerceiveBondOrders(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->PerceiveBondOrders(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1FindTorsions(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + (arg1)->FindTorsions(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1GetGTDVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + result = (bool)(arg1)->GetGTDVector(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1GetGIVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->GetGIVector(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1GetGIDVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->GetGIDVector(*arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1Has2D(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->Has2D(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1Has3D(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->Has3D(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasNonZeroCoords(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasNonZeroCoords(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasAromaticPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasAromaticPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasSSSRPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasSSSRPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasRingAtomsAndBondsPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasRingAtomsAndBondsPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasAtomTypesPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasAtomTypesPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasChiralityPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasChiralityPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasPartialChargesPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasPartialChargesPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasHybridizationPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasHybridizationPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasImplicitValencePerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasImplicitValencePerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasKekulePerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasKekulePerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasClosureBondsPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasClosureBondsPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasChainsPerceived(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasChainsPerceived(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasHydrogensAdded(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasHydrogensAdded(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasAromaticCorrected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasAromaticCorrected(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1IsCorrectedForPH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->IsCorrectedForPH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1HasSpinMultiplicityAssigned(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->HasSpinMultiplicityAssigned(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1IsChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->IsChiral(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMol_1Empty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (bool)(arg1)->Empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMol_1NumConformers(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (int)(arg1)->NumConformers(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetConformers(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->SetConformers(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1AddConformer(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double *arg2 = (double *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(double **)&jarg2; + (arg1)->AddConformer(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1SetConformer(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + (arg1)->SetConformer(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1CopyConformer(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jint jarg3) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + double *arg2 = (double *) 0 ; + int arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(double **)&jarg2; + arg3 = (int)jarg3; + (arg1)->CopyConformer(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMol_1DeleteConformer(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + (arg1)->DeleteConformer(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetConformer(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + int arg2 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = (int)jarg2; + result = (double *)(arg1)->GetConformer(arg2); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginConformer(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (double *)(arg1)->BeginConformer(*arg2); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NextConformer(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (double *)(arg1)->NextConformer(*arg2); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1GetConformers(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + { + std::vector &_result_ref = (arg1)->GetConformers(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->BeginAtoms(); + *(OpenBabel::OBAtomIterator **)&jresult = new OpenBabel::OBAtomIterator((OpenBabel::OBAtomIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1EndAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->EndAtoms(); + *(OpenBabel::OBAtomIterator **)&jresult = new OpenBabel::OBAtomIterator((OpenBabel::OBAtomIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->BeginBonds(); + *(OpenBabel::OBBondIterator **)&jresult = new OpenBabel::OBBondIterator((OpenBabel::OBBondIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1EndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->EndBonds(); + *(OpenBabel::OBBondIterator **)&jresult = new OpenBabel::OBBondIterator((OpenBabel::OBBondIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginResidues(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->BeginResidues(); + *(OpenBabel::OBResidueIterator **)&jresult = new OpenBabel::OBResidueIterator((OpenBabel::OBResidueIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1EndResidues(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (arg1)->EndResidues(); + *(OpenBabel::OBResidueIterator **)&jresult = new OpenBabel::OBResidueIterator((OpenBabel::OBResidueIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(arg1)->BeginAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(arg1)->NextAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NextBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBResidue *)(arg1)->BeginResidue(*arg2); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NextResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBResidue *)(arg1)->NextResidue(*arg2); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1BeginInternalCoord(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBInternalCoord *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBInternalCoord *)(arg1)->BeginInternalCoord(*arg2); + *(OpenBabel::OBInternalCoord **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMol_1NextInternalCoord(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBInternalCoord *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBInternalCoord *)(arg1)->NextInternalCoord(*arg2); + *(OpenBabel::OBInternalCoord **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_tokenize_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jstring jarg2, jstring jarg3) { + jboolean jresult = 0 ; + std::vector *arg1 = 0 ; + char *arg2 = (char *) 0 ; + char *arg3 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + arg3 = 0; + if (jarg3) { + arg3 = (char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3) return 0; + } + result = (bool)OpenBabel::tokenize(*arg1,(char const *)arg2,(char const *)arg3); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + if (arg3) jenv->ReleaseStringUTFChars(jarg3, (const char *)arg3); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_tokenize_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jstring jarg2) { + jboolean jresult = 0 ; + std::vector *arg1 = 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)OpenBabel::tokenize(*arg1,(char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_tokenize_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jstring jarg3, jint jarg4) { + jboolean jresult = 0 ; + std::vector *arg1 = 0 ; + std::string *arg2 = 0 ; + char *arg3 = (char *) 0 ; + int arg4 ; + bool result; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + arg3 = 0; + if (jarg3) { + arg3 = (char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3) return 0; + } + arg4 = (int)jarg4; + result = (bool)OpenBabel::tokenize(*arg1,*arg2,(char const *)arg3,arg4); + jresult = (jboolean)result; + if (arg3) jenv->ReleaseStringUTFChars(jarg3, (const char *)arg3); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_tokenize_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jstring jarg3) { + jboolean jresult = 0 ; + std::vector *arg1 = 0 ; + std::string *arg2 = 0 ; + char *arg3 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + arg3 = 0; + if (jarg3) { + arg3 = (char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3) return 0; + } + result = (bool)OpenBabel::tokenize(*arg1,*arg2,(char const *)arg3); + jresult = (jboolean)result; + if (arg3) jenv->ReleaseStringUTFChars(jarg3, (const char *)arg3); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_tokenize_1_1SWIG_14(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2) { + jboolean jresult = 0 ; + std::vector *arg1 = 0 ; + std::string *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + result = (bool)OpenBabel::tokenize(*arg1,*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_ThrowError_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1) { + std::string *arg1 = 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::string **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + OpenBabel::ThrowError(*arg1); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_CartesianToInternal(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jobject jarg2_) { + std::vector *arg1 = 0 ; + OpenBabel::OBMol *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg2_; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return ; + } + OpenBabel::CartesianToInternal(*arg1,*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_InternalToCartesian(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jobject jarg2_) { + std::vector *arg1 = 0 ; + OpenBabel::OBMol *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg2_; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return ; + } + OpenBabel::InternalToCartesian(*arg1,*arg2); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_NewExtension(JNIEnv *jenv, jclass jcls, jlong jarg1, jstring jarg2) { + jstring jresult = 0 ; + std::string *arg1 = 0 ; + char *arg2 = (char *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + arg1 = *(std::string **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return 0; + } + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = OpenBabel::NewExtension(*arg1,arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_etab_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBElementTable *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBElementTable **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBElementTable const & reference is null"); + return ; + } + OpenBabel::etab = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_etab_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBElementTable *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBElementTable const &_result_ref = OpenBabel::etab; + result = (OpenBabel::OBElementTable *) &_result_ref; + } + *(OpenBabel::OBElementTable **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_ttab_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBTypeTable *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBTypeTable **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBTypeTable const & reference is null"); + return ; + } + OpenBabel::ttab = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_ttab_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBTypeTable *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBTypeTable const &_result_ref = OpenBabel::ttab; + result = (OpenBabel::OBTypeTable *) &_result_ref; + } + *(OpenBabel::OBTypeTable **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_isotab_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBIsotopeTable *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBIsotopeTable **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBIsotopeTable const & reference is null"); + return ; + } + OpenBabel::isotab = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_isotab_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBIsotopeTable *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBIsotopeTable const &_result_ref = OpenBabel::isotab; + result = (OpenBabel::OBIsotopeTable *) &_result_ref; + } + *(OpenBabel::OBIsotopeTable **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_aromtyper_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAromaticTyper *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAromaticTyper **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAromaticTyper const & reference is null"); + return ; + } + OpenBabel::aromtyper = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_aromtyper_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBAromaticTyper *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBAromaticTyper const &_result_ref = OpenBabel::aromtyper; + result = (OpenBabel::OBAromaticTyper *) &_result_ref; + } + *(OpenBabel::OBAromaticTyper **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_atomtyper_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomTyper *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomTyper **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAtomTyper const & reference is null"); + return ; + } + OpenBabel::atomtyper = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_atomtyper_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBAtomTyper *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBAtomTyper const &_result_ref = OpenBabel::atomtyper; + result = (OpenBabel::OBAtomTyper *) &_result_ref; + } + *(OpenBabel::OBAtomTyper **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_chainsparser_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBChainsParser *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBChainsParser **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBChainsParser const & reference is null"); + return ; + } + OpenBabel::chainsparser = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_chainsparser_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBChainsParser *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBChainsParser const &_result_ref = OpenBabel::chainsparser; + result = (OpenBabel::OBChainsParser *) &_result_ref; + } + *(OpenBabel::OBChainsParser **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_resdat_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueData *arg1 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueData **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBResidueData const & reference is null"); + return ; + } + OpenBabel::resdat = *arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_resdat_1get(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBResidueData *result = 0 ; + + (void)jenv; + (void)jcls; + { + OpenBabel::OBResidueData const &_result_ref = OpenBabel::resdat; + result = (OpenBabel::OBResidueData *) &_result_ref; + } + *(OpenBabel::OBResidueData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_BUFF_1SIZE_1get(JNIEnv *jenv, jclass jcls) { + jint jresult = 0 ; + int result; + + (void)jenv; + (void)jcls; + result = (int) 32768; + + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_get_1rmat(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jlong jarg3, jint jarg4) { + double *arg1 = (double *) 0 ; + double *arg2 = (double *) 0 ; + double *arg3 = (double *) 0 ; + int arg4 ; + + (void)jenv; + (void)jcls; + arg1 = *(double **)&jarg1; + arg2 = *(double **)&jarg2; + arg3 = *(double **)&jarg3; + arg4 = (int)jarg4; + OpenBabel::get_rmat(arg1,arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_ob_1make_1rmat(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2) { + double (*arg1)[3] ; + double *arg2 ; + + (void)jenv; + (void)jcls; + arg1 = *(double (**)[3])&jarg1; + arg2 = *(double **)&jarg2; + OpenBabel::ob_make_rmat((double (*)[3])arg1,arg2); + + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_qtrfit(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jint jarg3, jlong jarg4) { + double *arg1 = (double *) 0 ; + double *arg2 = (double *) 0 ; + int arg3 ; + double (*arg4)[3] ; + + (void)jenv; + (void)jcls; + arg1 = *(double **)&jarg1; + arg2 = *(double **)&jarg2; + arg3 = (int)jarg3; + arg4 = *(double (**)[3])&jarg4; + OpenBabel::qtrfit(arg1,arg2,arg3,(double (*)[3])arg4); + +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_superimpose(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2, jint jarg3) { + jdouble jresult = 0 ; + double *arg1 = (double *) 0 ; + double *arg2 = (double *) 0 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + arg1 = *(double **)&jarg1; + arg2 = *(double **)&jarg2; + arg3 = (int)jarg3; + result = (double)OpenBabel::superimpose(arg1,arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRTree(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBRTree *arg2 = (OpenBabel::OBRTree *) 0 ; + OpenBabel::OBRTree *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + arg2 = *(OpenBabel::OBRTree **)&jarg2; + result = (OpenBabel::OBRTree *)new OpenBabel::OBRTree(arg1,arg2); + *(OpenBabel::OBRTree **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBRTree(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBRTree **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBRTree_1GetAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRTree **)&jarg1; + result = (int)(arg1)->GetAtomIdx(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRTree_1PathToRoot(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRTree **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (arg1)->PathToRoot(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRing_1_1path_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector const & reference is null"); + return ; + } + if (arg1) (arg1)->_path = *arg2; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBRing_1_1path_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + { + std::vector const &_result_ref = ((arg1)->_path); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRing_1_1pathset_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::OBBitVec *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = *(OpenBabel::OBBitVec **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBBitVec const & reference is null"); + return ; + } + if (arg1) (arg1)->_pathset = *arg2; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBRing_1_1pathset_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::OBBitVec *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + { + OpenBabel::OBBitVec const &_result_ref = ((arg1)->_pathset); + result = (OpenBabel::OBBitVec *) &_result_ref; + } + *(OpenBabel::OBBitVec **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBRing_1findCenterAndNormal(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_) { + jboolean jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + OpenBabel::vector3 *arg3 = 0 ; + OpenBabel::vector3 *arg4 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg3 = *(OpenBabel::vector3 **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg4 = *(OpenBabel::vector3 **)&jarg4; + if(!arg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + result = (bool)(arg1)->findCenterAndNormal(*arg2,*arg3,*arg4); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRing_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBRing *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBRing *)new OpenBabel::OBRing(); + *(OpenBabel::OBRing **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRing_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + std::vector *arg1 = 0 ; + int arg2 ; + OpenBabel::OBRing *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(std::vector **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return 0; + } + arg2 = (int)jarg2; + result = (OpenBabel::OBRing *)new OpenBabel::OBRing(*arg1,arg2); + *(OpenBabel::OBRing **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRing_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRing *arg1 = 0 ; + OpenBabel::OBRing *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBRing const & reference is null"); + return 0; + } + result = (OpenBabel::OBRing *)new OpenBabel::OBRing((OpenBabel::OBRing const &)*arg1); + *(OpenBabel::OBRing **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBRing_1Size(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + result = (int)((OpenBabel::OBRing const *)arg1)->Size(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBRing_1PathSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + result = (int)((OpenBabel::OBRing const *)arg1)->PathSize(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBRing_1IsMember_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(arg1)->IsMember(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBRing_1IsMember_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(arg1)->IsMember(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBRing_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + result = (bool)(arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBRing_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(arg1)->IsInRing(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRing_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (arg1)->SetParent(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBRing_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBRing(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBRing **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_CompareRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; + OpenBabel::OBRing *arg2 = (OpenBabel::OBRing *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBRing **)&jarg1; + arg2 = *(OpenBabel::OBRing **)&jarg2; + result = (bool)OpenBabel::CompareRingSize((OpenBabel::OBRing const *)arg1,(OpenBabel::OBRing const *)arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBRingSearch(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBRingSearch *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBRingSearch *)new OpenBabel::OBRingSearch(); + *(OpenBabel::OBRingSearch **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBRingSearch(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRingSearch_1SortRings(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + (arg1)->SortRings(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRingSearch_1RemoveRedundant(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + arg2 = (int)jarg2; + (arg1)->RemoveRedundant(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRingSearch_1AddRingFromClosure(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBBond **)&jarg3; + (arg1)->AddRingFromClosure(*arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBRingSearch_1WriteRings(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + (arg1)->WriteRings(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBRingSearch_1SaveUniqueRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + std::deque *arg2 = 0 ; + std::deque *arg3 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + arg2 = *(std::deque **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::deque & reference is null"); + return 0; + } + arg3 = *(std::deque **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::deque & reference is null"); + return 0; + } + result = (bool)(arg1)->SaveUniqueRing(*arg2,*arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBRingSearch_1BeginRings(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + result = (arg1)->BeginRings(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBRingSearch_1EndRings(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBRingSearch **)&jarg1; + result = (arg1)->EndRings(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSmartsPattern_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBSmartsPattern *)new OpenBabel::OBSmartsPattern(); + *(OpenBabel::OBSmartsPattern **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBSmartsPattern(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSmartsPattern_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = 0 ; + OpenBabel::OBSmartsPattern *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBSmartsPattern const & reference is null"); + return 0; + } + result = (OpenBabel::OBSmartsPattern *)new OpenBabel::OBSmartsPattern((OpenBabel::OBSmartsPattern const &)*arg1); + *(OpenBabel::OBSmartsPattern **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSmartsPattern_1NumMatches(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + result = (unsigned int)((OpenBabel::OBSmartsPattern const *)arg1)->NumMatches(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSmartsPattern_1NumAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + result = (unsigned int)((OpenBabel::OBSmartsPattern const *)arg1)->NumAtoms(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSmartsPattern_1NumBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + result = (unsigned int)((OpenBabel::OBSmartsPattern const *)arg1)->NumBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBSmartsPattern_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jint jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = (int)jarg2; + result = (int)(arg1)->GetAtomicNum(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSmartsPattern_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jlong jarg4, jint jarg5) { + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + int *arg2 = 0 ; + int *arg3 = 0 ; + int *arg4 = 0 ; + int arg5 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(int **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "int & reference is null"); + return ; + } + arg3 = *(int **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "int & reference is null"); + return ; + } + arg4 = *(int **)&jarg4; + if(!arg4) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "int & reference is null"); + return ; + } + arg5 = (int)jarg5; + (arg1)->GetBond(*arg2,*arg3,*arg4,arg5); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBSmartsPattern_1GetCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jint jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = (int)jarg2; + result = (int)(arg1)->GetCharge(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBSmartsPattern_1GetSMARTS_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + std::string *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + { + std::string const &_result_ref = ((OpenBabel::OBSmartsPattern const *)arg1)->GetSMARTS(); + result = (std::string *) &_result_ref; + } + jresult = jenv->NewStringUTF(result->c_str()); + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBSmartsPattern_1GetVectorBinding(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jint jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = (int)jarg2; + result = (int)((OpenBabel::OBSmartsPattern const *)arg1)->GetVectorBinding(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1Empty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + result = (bool)((OpenBabel::OBSmartsPattern const *)arg1)->Empty(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1IsValid(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + result = (bool)((OpenBabel::OBSmartsPattern const *)arg1)->IsValid(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1Init_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(arg1)->Init((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSmartsPattern_1WriteMapList(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + std::ostream *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(std::ostream **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::ostream & reference is null"); + return ; + } + (arg1)->WriteMapList(*arg2); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1Match_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jboolean jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + bool arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + arg3 = jarg3 ? true : false; + result = (bool)(arg1)->Match(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1Match_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + result = (bool)(arg1)->Match(*arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1RestrictedMatch_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jboolean jarg4) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + std::vector > *arg3 = 0 ; + bool arg4 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + arg3 = *(std::vector > **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector > & reference is null"); + return 0; + } + arg4 = jarg4 ? true : false; + result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3,arg4); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1RestrictedMatch_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + std::vector > *arg3 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + arg3 = *(std::vector > **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector > & reference is null"); + return 0; + } + result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1RestrictedMatch_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_, jboolean jarg4) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + OpenBabel::OBBitVec *arg3 = 0 ; + bool arg4 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + arg3 = *(OpenBabel::OBBitVec **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBBitVec & reference is null"); + return 0; + } + arg4 = jarg4 ? true : false; + result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3,arg4); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBSmartsPattern_1RestrictedMatch_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jboolean jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + OpenBabel::OBMol *arg2 = 0 ; + OpenBabel::OBBitVec *arg3 = 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + arg3 = *(OpenBabel::OBBitVec **)&jarg3; + if(!arg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBBitVec & reference is null"); + return 0; + } + result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSmartsPattern_1GetMapList(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + std::vector > *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + { + std::vector > &_result_ref = (arg1)->GetMapList(); + result = (std::vector > *) &_result_ref; + } + *(std::vector > **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSmartsPattern_1GetUMapList(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + std::vector > *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + { + std::vector > &_result_ref = (arg1)->GetUMapList(); + result = (std::vector > *) &_result_ref; + } + *(std::vector > **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSmartsPattern_1BeginMList(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + SwigValueWrapper >::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + result = (arg1)->BeginMList(); + *(std::vector >::iterator **)&jresult = new std::vector >::iterator((std::vector >::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBSmartsPattern_1EndMList(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; + SwigValueWrapper >::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBSmartsPattern **)&jarg1; + result = (arg1)->EndMList(); + *(std::vector >::iterator **)&jresult = new std::vector >::iterator((std::vector >::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBSSMatch(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = 0 ; + OpenBabel::Pattern *arg2 = (OpenBabel::Pattern *) 0 ; + OpenBabel::OBSSMatch *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMol & reference is null"); + return 0; + } + arg2 = *(OpenBabel::Pattern **)&jarg2; + result = (OpenBabel::OBSSMatch *)new OpenBabel::OBSSMatch(*arg1,arg2); + *(OpenBabel::OBSSMatch **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBSSMatch(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBSSMatch *arg1 = (OpenBabel::OBSSMatch *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBSSMatch **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSSMatch_1Match_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jint jarg3) { + OpenBabel::OBSSMatch *arg1 = (OpenBabel::OBSSMatch *) 0 ; + std::vector > *arg2 = 0 ; + int arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSSMatch **)&jarg1; + arg2 = *(std::vector > **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector > & reference is null"); + return ; + } + arg3 = (int)jarg3; + (arg1)->Match(*arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBSSMatch_1Match_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBSSMatch *arg1 = (OpenBabel::OBSSMatch *) 0 ; + std::vector > *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBSSMatch **)&jarg1; + arg2 = *(std::vector > **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector > & reference is null"); + return ; + } + (arg1)->Match(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_SmartsLexReplace(JNIEnv *jenv, jclass jcls, jlong jarg1, jlong jarg2) { + std::string *arg1 = 0 ; + std::vector > *arg2 = 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(std::string **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + arg2 = *(std::vector > **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector > & reference is null"); + return ; + } + OpenBabel::SmartsLexReplace(*arg1,*arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBMolAtomIter *)new OpenBabel::OBMolAtomIter(); + *(OpenBabel::OBMolAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBMolAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBMolAtomIter *)new OpenBabel::OBMolAtomIter(arg1); + *(OpenBabel::OBMolAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = 0 ; + OpenBabel::OBMolAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMolAtomIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBMolAtomIter *)new OpenBabel::OBMolAtomIter((OpenBabel::OBMolAtomIter const &)*arg1); + *(OpenBabel::OBMolAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1good(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)((OpenBabel::OBMolAtomIter const *)arg1)->operator bool(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1inc(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + OpenBabel::OBMolAtomIter result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->operator ++(arg2); + *(OpenBabel::OBMolAtomIter **)&jresult = new OpenBabel::OBMolAtomIter((OpenBabel::OBMolAtomIter &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1deref(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (OpenBabel::OBAtom *)((OpenBabel::OBMolAtomIter const *)arg1)->operator ->(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + { + OpenBabel::OBAtom &_result_ref = ((OpenBabel::OBMolAtomIter const *)arg1)->operator *(); + result = (OpenBabel::OBAtom *) &_result_ref; + } + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBMolAtomIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (*arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool) ((*arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetHyb(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetAtomicNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetIsotope(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetImplicitValence(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1IncrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->IncrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1DecrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->DecrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetFormalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jshort jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + short arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (short)jarg2; + (*arg1)->SetSpinMultiplicity(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetType_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (*arg1)->SetType(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetType_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + (*arg1)->SetType(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (double)jarg2; + (*arg1)->SetPartialCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetVector_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + (*arg1)->SetVector(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetVector_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + (*arg1)->SetVector(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetVector_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetVector(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double **arg2 = (double **) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(double ***)&jarg2; + (*arg1)->SetCoordPtr(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + (*arg1)->SetResidue(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (*arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetAntiClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetAntiClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetPositiveStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetNegativeStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1UnsetStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->UnsetStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->SetChiral(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1ClearCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->ClearCoordPtr(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomIter_1GetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (int)(*arg1)->GetFormalCharge(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetAtomicNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomIter_1GetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned short result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned short)(*arg1)->GetIsotope(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomIter_1GetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (int)(*arg1)->GetSpinMultiplicity(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetAtomicMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->GetAtomicMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetExactMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->GetExactMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetCoordinateIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCoordinateIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetCIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHyb(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetImplicitValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetHvyValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHvyValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetHeteroValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHeteroValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMolAtomIter_1GetType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (char *)(*arg1)->GetType(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetX(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->GetX(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1x(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->x(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetY(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->GetY(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1y(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->y(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetZ(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->GetZ(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1z(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->z(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetCoordinate(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double *)(*arg1)->GetCoordinate(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + { + OpenBabel::vector3 &_result_ref = (*arg1)->GetVector(); + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->GetPartialCharge(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1GetNewBondVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg3 = (double)jarg3; + result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetNextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1BeginBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (*arg1)->BeginBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1EndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (*arg1)->EndBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1BeginBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1NextBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1BeginNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1NextNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetDistance_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetDistance_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1GetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1NewResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->NewResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1DeleteResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->DeleteResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1AddBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (*arg1)->AddBond(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1InsertBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jobject jarg3_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBBond **)&jarg3; + (*arg1)->InsertBond(*arg2,arg3); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1DeleteBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(*arg1)->DeleteBond(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1ClearBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->ClearBond(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1CountFreeOxygens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->CountFreeOxygens(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1ImplicitHydrogenCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->ImplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1ExplicitHydrogenCount_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1ExplicitHydrogenCount_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1MemberOfRingCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1MemberOfRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1CountRingBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->CountRingBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1SmallestBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->SmallestBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomIter_1AverageBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (double)(*arg1)->AverageBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1BOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->BOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1KBOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->KBOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HtoMethyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HtoMethyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1SetHybAndGeom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->SetHybAndGeom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1ForceNoH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + (*arg1)->ForceNoH(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasNoHForced(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasNoHForced(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasResidue(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsCarbon(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsCarbon(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsSulfur(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsSulfur(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsPhosphorus(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphorus(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsInRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->IsInRingSize(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsHeteroatom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHeteroatom(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsNotCorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNotCorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsConnected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsConnected(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsOneThree(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneThree(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsOneFour(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneFour(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsCarboxylOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsCarboxylOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsPhosphateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsSulfateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsSulfateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsNitroOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNitroOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsAmideNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAmideNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsNonPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNonPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsAromaticNOxide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAromaticNOxide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsChiral(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsAxial(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAxial(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsAntiClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAntiClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPositiveStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNegativeStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasChiralitySpecified(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasChiralitySpecified(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasChiralVolume(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasChiralVolume(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsHbondAcceptor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondAcceptor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsHbondDonor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1IsHbondDonorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasAlphaBetaUnsat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasAlphaBetaUnsat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasAlphaBetaUnsat(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasBondOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasBondOfOrder(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomIter_1CountBondsOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jint jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (int)(*arg1)->CountBondsOfOrder(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasNonSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasNonSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasDoubleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasDoubleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasAromaticBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (bool)(*arg1)->HasAromaticBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1MatchesSMARTS(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMolAtomIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomDFSIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBMolAtomDFSIter *)new OpenBabel::OBMolAtomDFSIter(); + *(OpenBabel::OBMolAtomDFSIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomDFSIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBMolAtomDFSIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBMolAtomDFSIter *)new OpenBabel::OBMolAtomDFSIter(arg1); + *(OpenBabel::OBMolAtomDFSIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomDFSIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = 0 ; + OpenBabel::OBMolAtomDFSIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMolAtomDFSIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBMolAtomDFSIter *)new OpenBabel::OBMolAtomDFSIter((OpenBabel::OBMolAtomDFSIter const &)*arg1); + *(OpenBabel::OBMolAtomDFSIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1_1_1deref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (OpenBabel::OBAtom *)((OpenBabel::OBMolAtomDFSIter const *)arg1)->operator ->(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + { + OpenBabel::OBAtom &_result_ref = ((OpenBabel::OBMolAtomDFSIter const *)arg1)->operator *(); + result = (OpenBabel::OBAtom *) &_result_ref; + } + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBMolAtomDFSIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (*arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool) ((*arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetHyb(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetAtomicNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetIsotope(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetImplicitValence(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IncrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->IncrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DecrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->DecrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetFormalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jshort jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + short arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (short)jarg2; + (*arg1)->SetSpinMultiplicity(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetType_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (*arg1)->SetType(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetType_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + (*arg1)->SetType(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (double)jarg2; + (*arg1)->SetPartialCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetVector_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + (*arg1)->SetVector(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetVector_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + (*arg1)->SetVector(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetVector_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetVector(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double **arg2 = (double **) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(double ***)&jarg2; + (*arg1)->SetCoordPtr(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + (*arg1)->SetResidue(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (*arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetAntiClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetAntiClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetPositiveStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetNegativeStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1UnsetStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->UnsetStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->SetChiral(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1ClearCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->ClearCoordPtr(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (int)(*arg1)->GetFormalCharge(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetAtomicNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned short result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned short)(*arg1)->GetIsotope(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (int)(*arg1)->GetSpinMultiplicity(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetAtomicMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->GetAtomicMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetExactMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->GetExactMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetCoordinateIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCoordinateIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetCIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHyb(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetImplicitValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetHvyValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHvyValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetHeteroValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHeteroValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (char *)(*arg1)->GetType(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetX(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->GetX(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1x(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->x(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetY(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->GetY(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1y(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->y(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetZ(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->GetZ(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1z(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->z(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetCoordinate(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double *)(*arg1)->GetCoordinate(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + { + OpenBabel::vector3 &_result_ref = (*arg1)->GetVector(); + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->GetPartialCharge(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetNewBondVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg3 = (double)jarg3; + result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetNextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1BeginBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (*arg1)->BeginBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1EndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (*arg1)->EndBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1BeginBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1NextBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1BeginNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1NextNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetDistance_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetDistance_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1NewResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->NewResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DeleteResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->DeleteResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1AddBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (*arg1)->AddBond(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1InsertBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jobject jarg3_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBBond **)&jarg3; + (*arg1)->InsertBond(*arg2,arg3); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DeleteBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(*arg1)->DeleteBond(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1ClearBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->ClearBond(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1CountFreeOxygens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->CountFreeOxygens(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1ImplicitHydrogenCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->ImplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1ExplicitHydrogenCount_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1ExplicitHydrogenCount_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1MemberOfRingCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1MemberOfRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1CountRingBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->CountRingBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SmallestBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->SmallestBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1AverageBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (double)(*arg1)->AverageBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1BOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->BOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1KBOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->KBOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HtoMethyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HtoMethyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetHybAndGeom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->SetHybAndGeom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1ForceNoH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + (*arg1)->ForceNoH(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasNoHForced(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasNoHForced(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasResidue(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsCarbon(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsCarbon(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsSulfur(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsSulfur(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsPhosphorus(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphorus(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsInRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->IsInRingSize(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsHeteroatom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsHeteroatom(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsNotCorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsNotCorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsConnected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsConnected(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsOneThree(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneThree(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsOneFour(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneFour(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsCarboxylOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsCarboxylOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsPhosphateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsSulfateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsSulfateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsNitroOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsNitroOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsAmideNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsAmideNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsNonPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsNonPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsAromaticNOxide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsAromaticNOxide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsChiral(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsAxial(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsAxial(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsAntiClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsAntiClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsPositiveStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsNegativeStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasChiralitySpecified(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasChiralitySpecified(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasChiralVolume(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasChiralVolume(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsHbondAcceptor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsHbondAcceptor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsHbondDonor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1IsHbondDonorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasAlphaBetaUnsat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasAlphaBetaUnsat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasAlphaBetaUnsat(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasBondOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasBondOfOrder(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1CountBondsOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jint jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (int)(*arg1)->CountBondsOfOrder(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasNonSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasNonSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasDoubleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasDoubleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasAromaticBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (bool)(*arg1)->HasAromaticBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1MatchesSMARTS(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomDFSIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomDFSIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomBFSIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBMolAtomBFSIter *)new OpenBabel::OBMolAtomBFSIter(); + *(OpenBabel::OBMolAtomBFSIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomBFSIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBMolAtomBFSIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBMolAtomBFSIter *)new OpenBabel::OBMolAtomBFSIter(arg1); + *(OpenBabel::OBMolAtomBFSIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolAtomBFSIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = 0 ; + OpenBabel::OBMolAtomBFSIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMolAtomBFSIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBMolAtomBFSIter *)new OpenBabel::OBMolAtomBFSIter((OpenBabel::OBMolAtomBFSIter const &)*arg1); + *(OpenBabel::OBMolAtomBFSIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1_1_1deref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (OpenBabel::OBAtom *)((OpenBabel::OBMolAtomBFSIter const *)arg1)->operator ->(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + { + OpenBabel::OBAtom &_result_ref = ((OpenBabel::OBMolAtomBFSIter const *)arg1)->operator *(); + result = (OpenBabel::OBAtom *) &_result_ref; + } + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBMolAtomBFSIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (*arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool) ((*arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetHyb(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetAtomicNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetIsotope(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetImplicitValence(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IncrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->IncrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DecrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->DecrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetFormalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jshort jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + short arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (short)jarg2; + (*arg1)->SetSpinMultiplicity(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetType_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (*arg1)->SetType(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetType_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + (*arg1)->SetType(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (double)jarg2; + (*arg1)->SetPartialCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetVector_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + (*arg1)->SetVector(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetVector_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + (*arg1)->SetVector(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetVector_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetVector(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double **arg2 = (double **) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(double ***)&jarg2; + (*arg1)->SetCoordPtr(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + (*arg1)->SetResidue(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (*arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetAntiClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetAntiClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetPositiveStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetNegativeStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1UnsetStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->UnsetStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->SetChiral(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1ClearCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->ClearCoordPtr(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (int)(*arg1)->GetFormalCharge(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetAtomicNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned short result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned short)(*arg1)->GetIsotope(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (int)(*arg1)->GetSpinMultiplicity(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetAtomicMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->GetAtomicMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetExactMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->GetExactMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetCoordinateIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCoordinateIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetCIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHyb(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetImplicitValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetHvyValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHvyValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetHeteroValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHeteroValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (char *)(*arg1)->GetType(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetX(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->GetX(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1x(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->x(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetY(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->GetY(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1y(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->y(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetZ(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->GetZ(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1z(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->z(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetCoordinate(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double *)(*arg1)->GetCoordinate(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + { + OpenBabel::vector3 &_result_ref = (*arg1)->GetVector(); + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->GetPartialCharge(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetNewBondVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg3 = (double)jarg3; + result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetNextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1BeginBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (*arg1)->BeginBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1EndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (*arg1)->EndBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1BeginBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1NextBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1BeginNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1NextNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetDistance_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetDistance_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1NewResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->NewResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DeleteResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->DeleteResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1AddBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (*arg1)->AddBond(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1InsertBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jobject jarg3_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBBond **)&jarg3; + (*arg1)->InsertBond(*arg2,arg3); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DeleteBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(*arg1)->DeleteBond(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1ClearBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->ClearBond(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1CountFreeOxygens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->CountFreeOxygens(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1ImplicitHydrogenCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->ImplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1ExplicitHydrogenCount_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1ExplicitHydrogenCount_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1MemberOfRingCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1MemberOfRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1CountRingBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->CountRingBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SmallestBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->SmallestBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1AverageBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (double)(*arg1)->AverageBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1BOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->BOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1KBOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->KBOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HtoMethyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HtoMethyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetHybAndGeom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->SetHybAndGeom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1ForceNoH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + (*arg1)->ForceNoH(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasNoHForced(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasNoHForced(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasResidue(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsCarbon(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsCarbon(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsSulfur(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsSulfur(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsPhosphorus(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphorus(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsInRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->IsInRingSize(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsHeteroatom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsHeteroatom(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsNotCorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsNotCorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsConnected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsConnected(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsOneThree(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneThree(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsOneFour(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneFour(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsCarboxylOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsCarboxylOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsPhosphateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsSulfateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsSulfateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsNitroOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsNitroOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsAmideNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsAmideNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsNonPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsNonPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsAromaticNOxide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsAromaticNOxide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsChiral(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsAxial(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsAxial(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsAntiClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsAntiClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsPositiveStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsNegativeStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasChiralitySpecified(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasChiralitySpecified(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasChiralVolume(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasChiralVolume(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsHbondAcceptor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsHbondAcceptor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsHbondDonor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1IsHbondDonorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasAlphaBetaUnsat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasAlphaBetaUnsat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasAlphaBetaUnsat(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasBondOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasBondOfOrder(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1CountBondsOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jint jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (int)(*arg1)->CountBondsOfOrder(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasNonSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasNonSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasDoubleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasDoubleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasAromaticBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (bool)(*arg1)->HasAromaticBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1MatchesSMARTS(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolAtomBFSIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolAtomBFSIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolBondIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(); + *(OpenBabel::OBMolBondIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolBondIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBMolBondIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(arg1); + *(OpenBabel::OBMolBondIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBMolBondIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = 0 ; + OpenBabel::OBMolBondIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBMolBondIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolBondIter const &)*arg1); + *(OpenBabel::OBMolBondIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1good(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)((OpenBabel::OBMolBondIter const *)arg1)->operator bool(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1inc(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + int arg2 ; + OpenBabel::OBMolBondIter result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->operator ++(arg2); + *(OpenBabel::OBMolBondIter **)&jresult = new OpenBabel::OBMolBondIter((OpenBabel::OBMolBondIter &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1deref(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (OpenBabel::OBBond *)((OpenBabel::OBMolBondIter const *)arg1)->operator ->(); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + { + OpenBabel::OBBond &_result_ref = ((OpenBabel::OBMolBondIter const *)arg1)->operator *(); + result = (OpenBabel::OBBond *) &_result_ref; + } + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBMolBondIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (*arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool) ((*arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetBO(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetBO(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetBegin(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (*arg1)->SetBegin(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetEnd(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (*arg1)->SetEnd(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (*arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = (double)jarg3; + (*arg1)->SetLength(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1Set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_, jint jarg5, jint jarg6) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + int arg2 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + int arg5 ; + int arg6 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + arg5 = (int)jarg5; + arg6 = (int)jarg6; + (*arg1)->Set(arg2,arg3,arg4,arg5,arg6); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetKSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetKSingle(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetKDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetKDouble(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetKTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetKTriple(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetHash(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetWedge(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetUp(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetDown(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetClosure(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->SetClosure(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1UnsetHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->UnsetHash(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1UnsetWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->UnsetWedge(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1UnsetUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->UnsetUp(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1UnsetDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->UnsetDown(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1UnsetKekule(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + (*arg1)->UnsetKekule(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetBO(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetBO(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetBondOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetBondOrder(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetFlags(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetFlags(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetBeginAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetBeginAtomIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetEndAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetEndAtomIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetBeginAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetBeginAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetEndAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetEndAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBAtom *)(*arg1)->GetNbrAtom(arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolBondIter_1GetEquibLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (double)(*arg1)->GetEquibLength(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBMolBondIter_1GetLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (double)(*arg1)->GetLength(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBMolBondIter_1GetNbrAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jint jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (int)(*arg1)->GetNbrAtomIdx(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsRotor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsRotor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsPrimaryAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsPrimaryAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsSecondaryAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsSecondaryAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsEster(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsEster(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsCarbonyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsCarbonyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsSingle(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsDouble(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsTriple(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsKSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsKSingle(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsKDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsKDouble(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsKTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsKTriple(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsClosure(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsClosure(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsUp(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsDown(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsWedge(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsHash(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1IsDoubleBondGeometry(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (bool)(*arg1)->IsDoubleBondGeometry(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBMolBondIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBMolBondIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBMolBondIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBMolBondIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMolBondIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAtomAtomIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBAtomAtomIter *)new OpenBabel::OBAtomAtomIter(); + *(OpenBabel::OBAtomAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAtomAtomIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtomAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (OpenBabel::OBAtomAtomIter *)new OpenBabel::OBAtomAtomIter(arg1); + *(OpenBabel::OBAtomAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAtomAtomIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = 0 ; + OpenBabel::OBAtomAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAtomAtomIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBAtomAtomIter *)new OpenBabel::OBAtomAtomIter((OpenBabel::OBAtomAtomIter const &)*arg1); + *(OpenBabel::OBAtomAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1good(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)((OpenBabel::OBAtomAtomIter const *)arg1)->operator bool(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1inc(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + OpenBabel::OBAtomAtomIter result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->operator ++(arg2); + *(OpenBabel::OBAtomAtomIter **)&jresult = new OpenBabel::OBAtomAtomIter((OpenBabel::OBAtomAtomIter &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1deref(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (OpenBabel::OBAtom *)((OpenBabel::OBAtomAtomIter const *)arg1)->operator ->(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + { + OpenBabel::OBAtom &_result_ref = ((OpenBabel::OBAtomAtomIter const *)arg1)->operator *(); + result = (OpenBabel::OBAtom *) &_result_ref; + } + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBAtomAtomIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (*arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool) ((*arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetHyb(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetAtomicNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetIsotope(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetImplicitValence(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1IncrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->IncrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1DecrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->DecrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetFormalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jshort jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + short arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (short)jarg2; + (*arg1)->SetSpinMultiplicity(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetType_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (*arg1)->SetType(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetType_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + (*arg1)->SetType(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (double)jarg2; + (*arg1)->SetPartialCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetVector_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + (*arg1)->SetVector(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetVector_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + (*arg1)->SetVector(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetVector_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetVector(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double **arg2 = (double **) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(double ***)&jarg2; + (*arg1)->SetCoordPtr(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + (*arg1)->SetResidue(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (*arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetAntiClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetAntiClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetPositiveStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetNegativeStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1UnsetStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->UnsetStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->SetChiral(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1ClearCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->ClearCoordPtr(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (int)(*arg1)->GetFormalCharge(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetAtomicNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned short result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned short)(*arg1)->GetIsotope(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (int)(*arg1)->GetSpinMultiplicity(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetAtomicMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->GetAtomicMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetExactMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->GetExactMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetCoordinateIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCoordinateIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetCIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHyb(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetImplicitValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetHvyValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHvyValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetHeteroValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHeteroValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (char *)(*arg1)->GetType(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetX(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->GetX(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1x(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->x(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetY(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->GetY(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1y(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->y(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetZ(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->GetZ(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1z(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->z(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetCoordinate(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double *)(*arg1)->GetCoordinate(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + { + OpenBabel::vector3 &_result_ref = (*arg1)->GetVector(); + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->GetPartialCharge(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetNewBondVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg3 = (double)jarg3; + result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetNextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1BeginBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (*arg1)->BeginBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1EndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (*arg1)->EndBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1BeginBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1NextBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1BeginNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1NextNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetDistance_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetDistance_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1NewResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->NewResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1DeleteResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->DeleteResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1AddBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (*arg1)->AddBond(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1InsertBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jobject jarg3_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBBond **)&jarg3; + (*arg1)->InsertBond(*arg2,arg3); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1DeleteBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(*arg1)->DeleteBond(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1ClearBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->ClearBond(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1CountFreeOxygens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->CountFreeOxygens(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1ImplicitHydrogenCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->ImplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1ExplicitHydrogenCount_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1ExplicitHydrogenCount_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1MemberOfRingCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1MemberOfRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1CountRingBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->CountRingBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1SmallestBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->SmallestBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomAtomIter_1AverageBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (double)(*arg1)->AverageBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1BOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->BOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1KBOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->KBOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HtoMethyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HtoMethyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetHybAndGeom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->SetHybAndGeom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1ForceNoH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + (*arg1)->ForceNoH(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasNoHForced(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasNoHForced(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasResidue(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsCarbon(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsCarbon(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsSulfur(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsSulfur(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsPhosphorus(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphorus(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsInRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->IsInRingSize(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsHeteroatom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHeteroatom(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsNotCorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNotCorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsConnected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsConnected(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsOneThree(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneThree(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsOneFour(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneFour(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsCarboxylOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsCarboxylOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsPhosphateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsSulfateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsSulfateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsNitroOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNitroOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsAmideNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAmideNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsNonPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNonPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsAromaticNOxide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAromaticNOxide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsChiral(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsAxial(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAxial(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsAntiClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAntiClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPositiveStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNegativeStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasChiralitySpecified(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasChiralitySpecified(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasChiralVolume(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasChiralVolume(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsHbondAcceptor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondAcceptor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsHbondDonor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1IsHbondDonorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasAlphaBetaUnsat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasAlphaBetaUnsat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasAlphaBetaUnsat(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasBondOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasBondOfOrder(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtomAtomIter_1CountBondsOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jint jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (int)(*arg1)->CountBondsOfOrder(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasNonSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasNonSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasDoubleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasDoubleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasAromaticBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (bool)(*arg1)->HasAromaticBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1MatchesSMARTS(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBAtomAtomIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomAtomIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomAtomIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomAtomIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomAtomIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAtomBondIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBAtomBondIter *)new OpenBabel::OBAtomBondIter(); + *(OpenBabel::OBAtomBondIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAtomBondIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtomBondIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtom **)&jarg1; + result = (OpenBabel::OBAtomBondIter *)new OpenBabel::OBAtomBondIter(arg1); + *(OpenBabel::OBAtomBondIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBAtomBondIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = 0 ; + OpenBabel::OBAtomBondIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBAtomBondIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBAtomBondIter *)new OpenBabel::OBAtomBondIter((OpenBabel::OBAtomBondIter const &)*arg1); + *(OpenBabel::OBAtomBondIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1good(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)((OpenBabel::OBAtomBondIter const *)arg1)->operator bool(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1inc(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + int arg2 ; + OpenBabel::OBAtomBondIter result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->operator ++(arg2); + *(OpenBabel::OBAtomBondIter **)&jresult = new OpenBabel::OBAtomBondIter((OpenBabel::OBAtomBondIter &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1deref(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (OpenBabel::OBBond *)((OpenBabel::OBAtomBondIter const *)arg1)->operator ->(); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + { + OpenBabel::OBBond &_result_ref = ((OpenBabel::OBAtomBondIter const *)arg1)->operator *(); + result = (OpenBabel::OBBond *) &_result_ref; + } + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBAtomBondIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (*arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool) ((*arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetBO(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetBO(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetBegin(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (*arg1)->SetBegin(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetEnd(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (*arg1)->SetEnd(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (*arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = (double)jarg3; + (*arg1)->SetLength(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1Set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jlong jarg3, jobject jarg3_, jlong jarg4, jobject jarg4_, jint jarg5, jint jarg6) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + int arg2 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; + int arg5 ; + int arg6 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + (void)jarg4_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = (int)jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + arg4 = *(OpenBabel::OBAtom **)&jarg4; + arg5 = (int)jarg5; + arg6 = (int)jarg6; + (*arg1)->Set(arg2,arg3,arg4,arg5,arg6); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetKSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetKSingle(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetKDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetKDouble(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetKTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetKTriple(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetHash(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetWedge(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetUp(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetDown(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetClosure(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->SetClosure(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1UnsetHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->UnsetHash(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1UnsetWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->UnsetWedge(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1UnsetUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->UnsetUp(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1UnsetDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->UnsetDown(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1UnsetKekule(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + (*arg1)->UnsetKekule(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetBO(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetBO(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetBondOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetBondOrder(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetFlags(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetFlags(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetBeginAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetBeginAtomIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetEndAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (unsigned int)(*arg1)->GetEndAtomIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetBeginAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetBeginAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetEndAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetEndAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBAtom *)(*arg1)->GetNbrAtom(arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomBondIter_1GetEquibLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (double)(*arg1)->GetEquibLength(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBAtomBondIter_1GetLength(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (double)(*arg1)->GetLength(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBAtomBondIter_1GetNbrAtomIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jint jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (int)(*arg1)->GetNbrAtomIdx(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsRotor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsRotor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsPrimaryAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsPrimaryAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsSecondaryAmide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsSecondaryAmide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsEster(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsEster(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsCarbonyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsCarbonyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsSingle(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsDouble(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsTriple(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsKSingle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsKSingle(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsKDouble(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsKDouble(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsKTriple(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsKTriple(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsClosure(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsClosure(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsUp(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsUp(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsDown(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsDown(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsWedge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsWedge(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsHash(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsHash(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1IsDoubleBondGeometry(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (bool)(*arg1)->IsDoubleBondGeometry(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBAtomBondIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBAtomBondIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBAtomBondIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBAtomBondIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBAtomBondIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidueIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBResidueIter *)new OpenBabel::OBResidueIter(); + *(OpenBabel::OBResidueIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidueIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + OpenBabel::OBResidueIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBMol **)&jarg1; + result = (OpenBabel::OBResidueIter *)new OpenBabel::OBResidueIter(arg1); + *(OpenBabel::OBResidueIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidueIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = 0 ; + OpenBabel::OBResidueIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBResidueIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBResidueIter *)new OpenBabel::OBResidueIter((OpenBabel::OBResidueIter const &)*arg1); + *(OpenBabel::OBResidueIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueIter_1good(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (bool)((OpenBabel::OBResidueIter const *)arg1)->operator bool(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1inc(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + int arg2 ; + OpenBabel::OBResidueIter result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->operator ++(arg2); + *(OpenBabel::OBResidueIter **)&jresult = new OpenBabel::OBResidueIter((OpenBabel::OBResidueIter &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1_1_1deref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (OpenBabel::OBResidue *)((OpenBabel::OBResidueIter const *)arg1)->operator ->(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + { + OpenBabel::OBResidue &_result_ref = ((OpenBabel::OBResidueIter const *)arg1)->operator *(); + result = (OpenBabel::OBResidue *) &_result_ref; + } + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBResidueIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1AddAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (*arg1)->AddAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1InsertAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (*arg1)->InsertAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1RemoveAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + (*arg1)->RemoveAtom(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + (*arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetName(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + if(!jarg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg2_pstr = (const char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2_pstr) return ; + std::string arg2_str(arg2_pstr); + arg2 = &arg2_str; + jenv->ReleaseStringUTFChars(jarg2, arg2_pstr); + (*arg1)->SetName((std::string const &)*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetChain(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jchar jarg2) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + char arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (char)jarg2; + (*arg1)->SetChain(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetChainNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetChainNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetAtomID(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jstring jarg3) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + std::string *arg3 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + if(!jarg3) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "null std::string"); + return ; + } + const char *arg3_pstr = (const char *)jenv->GetStringUTFChars(jarg3, 0); + if (!arg3_pstr) return ; + std::string arg3_str(arg3_pstr); + arg3 = &arg3_str; + jenv->ReleaseStringUTFChars(jarg3, arg3_pstr); + (*arg1)->SetAtomID(arg2,(std::string const &)*arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetHetAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jboolean jarg3) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = jarg3 ? true : false; + (*arg1)->SetHetAtom(arg2,arg3); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetSerialNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + unsigned int arg3 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = (unsigned int)jarg3; + (*arg1)->SetSerialNum(arg2,arg3); +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBResidueIter_1GetName(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (*arg1)->GetName(); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (unsigned int)(*arg1)->GetNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetNumAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (unsigned int)(*arg1)->GetNumAtoms(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jchar JNICALL Java_openbabelJNI_OBResidueIter_1GetChain(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jchar jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + char result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (char)(*arg1)->GetChain(); + jresult = (jchar)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetChainNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (unsigned int)(*arg1)->GetChainNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetResKey(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (unsigned int)(*arg1)->GetResKey(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (*arg1)->GetAtoms(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetBonds_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + bool arg2 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (*arg1)->GetBonds(arg2); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetBonds_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (*arg1)->GetBonds(); + *(std::vector **)&jresult = new std::vector((std::vector &)result); + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBResidueIter_1GetAtomID(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jstring jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + std::string result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (*arg1)->GetAtomID(arg2); + jresult = jenv->NewStringUTF((&result)->c_str()); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetSerialNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (unsigned int)(*arg1)->GetSerialNum(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueIter_1GetAminoAcidProperty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->GetAminoAcidProperty(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueIter_1GetAtomProperty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jint jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + int arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = (int)jarg3; + result = (bool)(*arg1)->GetAtomProperty(arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueIter_1GetResidueProperty(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->GetResidueProperty(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueIter_1IsHetAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsHetAtom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueIter_1IsResidueType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->IsResidueType(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1BeginAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (*arg1)->BeginAtoms(); + *(OpenBabel::OBAtomIterator **)&jresult = new OpenBabel::OBAtomIterator((OpenBabel::OBAtomIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1EndAtoms(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (*arg1)->EndAtoms(); + *(OpenBabel::OBAtomIterator **)&jresult = new OpenBabel::OBAtomIterator((OpenBabel::OBAtomIterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1BeginAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->BeginAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1NextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->NextAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBResidueIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidueAtomIter_1_1SWIG_10(JNIEnv *jenv, jclass jcls) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + result = (OpenBabel::OBResidueAtomIter *)new OpenBabel::OBResidueAtomIter(); + *(OpenBabel::OBResidueAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidueAtomIter_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + OpenBabel::OBResidueAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidue **)&jarg1; + result = (OpenBabel::OBResidueAtomIter *)new OpenBabel::OBResidueAtomIter(arg1); + *(OpenBabel::OBResidueAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_new_1OBResidueAtomIter_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = 0 ; + OpenBabel::OBResidueAtomIter *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + if(!arg1) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::OBResidueAtomIter const & reference is null"); + return 0; + } + result = (OpenBabel::OBResidueAtomIter *)new OpenBabel::OBResidueAtomIter((OpenBabel::OBResidueAtomIter const &)*arg1); + *(OpenBabel::OBResidueAtomIter **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1good(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)((OpenBabel::OBResidueAtomIter const *)arg1)->operator bool(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1inc(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + OpenBabel::OBResidueAtomIter result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (arg1)->operator ++(arg2); + *(OpenBabel::OBResidueAtomIter **)&jresult = new OpenBabel::OBResidueAtomIter((OpenBabel::OBResidueAtomIter &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1deref(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (OpenBabel::OBAtom *)((OpenBabel::OBResidueAtomIter const *)arg1)->operator ->(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1_1_1ref_1_1(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + { + OpenBabel::OBAtom &_result_ref = ((OpenBabel::OBResidueAtomIter const *)arg1)->operator *(); + result = (OpenBabel::OBAtom *) &_result_ref; + } + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_delete_1OBResidueAtomIter(JNIEnv *jenv, jclass jcls, jlong jarg1) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + delete arg1; + +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1Visit_1set(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + if (arg1) (*arg1)->Visit = arg2; + +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1Visit_1get(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool) ((*arg1)->Visit); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1Clear(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->Clear(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetIdx(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetHyb(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetAtomicNum(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->SetIsotope(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetImplicitValence(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1IncrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->IncrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1DecrementImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->DecrementImplicitValence(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + (*arg1)->SetFormalCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jshort jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + short arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (short)jarg2; + (*arg1)->SetSpinMultiplicity(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetType_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + char *arg2 = (char *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return ; + } + (*arg1)->SetType(arg2); + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetType_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::string *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::string **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::string & reference is null"); + return ; + } + (*arg1)->SetType(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (double)jarg2; + (*arg1)->SetPartialCharge(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetVector_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return ; + } + (*arg1)->SetVector(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetVector_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jdouble jarg2, jdouble jarg3, jdouble jarg4) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double arg2 ; + double arg3 ; + double arg4 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (double)jarg2; + arg3 = (double)jarg3; + arg4 = (double)jarg4; + (*arg1)->SetVector(arg2,arg3,arg4); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetVector_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetVector(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double **arg2 = (double **) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(double ***)&jarg2; + (*arg1)->SetCoordPtr(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBResidue **)&jarg2; + (*arg1)->SetResidue(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBMol **)&jarg2; + (*arg1)->SetParent(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1UnsetAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->UnsetAromatic(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetAntiClockwiseStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetAntiClockwiseStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetPositiveStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetNegativeStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1UnsetStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->UnsetStereo(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetInRing(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->SetChiral(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1ClearCoordPtr(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->ClearCoordPtr(); +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetFormalCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (int)(*arg1)->GetFormalCharge(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetAtomicNum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetAtomicNum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetIsotope(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned short result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned short)(*arg1)->GetIsotope(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetSpinMultiplicity(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jint jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (int)(*arg1)->GetSpinMultiplicity(); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetAtomicMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->GetAtomicMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetExactMass(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->GetExactMass(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetCoordinateIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCoordinateIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetCIdx(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetCIdx(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetHyb(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHyb(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetImplicitValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetImplicitValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetHvyValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHvyValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetHeteroValence(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->GetHeteroValence(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetType(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (char *)(*arg1)->GetType(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetX(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->GetX(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1x(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->x(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetY(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->GetY(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1y(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->y(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetZ(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->GetZ(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1z(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->z(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetCoordinate(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double *)(*arg1)->GetCoordinate(); + *(double **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::vector3 *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + { + OpenBabel::vector3 &_result_ref = (*arg1)->GetVector(); + result = (OpenBabel::vector3 *) &_result_ref; + } + *(OpenBabel::vector3 **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetPartialCharge(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->GetPartialCharge(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBResidue *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(); + *(OpenBabel::OBResidue **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetParent(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + *(OpenBabel::OBMol **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetNewBondVector(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jdouble jarg3) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::vector3 *arg2 = 0 ; + double arg3 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::vector3 **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "OpenBabel::vector3 & reference is null"); + return 0; + } + arg3 = (double)jarg3; + result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetNextAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom(); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1BeginBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (*arg1)->BeginBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1EndBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (*arg1)->EndBonds(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1BeginBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1NextBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); + *(OpenBabel::OBBond **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1BeginNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1NextNbrAtom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBAtom *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return 0; + } + result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); + *(OpenBabel::OBAtom **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetDistance_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetDistance_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (double)(*arg1)->GetDistance(arg2); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetAngle_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2, jint jarg3) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + int arg3 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + arg3 = (int)jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetAngle_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_, jlong jarg3, jobject jarg3_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + (void)jarg3_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + arg3 = *(OpenBabel::OBAtom **)&jarg3; + result = (double)(*arg1)->GetAngle(arg2,arg3); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1NewResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->NewResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1DeleteResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->DeleteResidue(); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1AddBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + (*arg1)->AddBond(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1InsertBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jlong jarg3, jobject jarg3_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::vector::iterator *arg2 = 0 ; + OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg3_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::vector::iterator **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector::iterator & reference is null"); + return ; + } + arg3 = *(OpenBabel::OBBond **)&jarg3; + (*arg1)->InsertBond(*arg2,arg3); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1DeleteBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBBond **)&jarg2; + result = (bool)(*arg1)->DeleteBond(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1ClearBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->ClearBond(); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1CountFreeOxygens(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->CountFreeOxygens(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1ImplicitHydrogenCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->ImplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1ExplicitHydrogenCount_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool arg2 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1ExplicitHydrogenCount_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->ExplicitHydrogenCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1MemberOfRingCount(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingCount(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1MemberOfRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->MemberOfRingSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1CountRingBonds(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->CountRingBonds(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1SmallestBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->SmallestBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jdouble JNICALL Java_openbabelJNI_OBResidueAtomIter_1AverageBondAngle(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jdouble jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + double result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (double)(*arg1)->AverageBondAngle(); + jresult = (jdouble)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1BOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->BOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1KBOSum(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->KBOSum(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HtoMethyl(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HtoMethyl(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetHybAndGeom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->SetHybAndGeom(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1ForceNoH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + (*arg1)->ForceNoH(); +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasNoHForced(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasNoHForced(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasResidue(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasResidue(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsCarbon(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsCarbon(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsSulfur(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsSulfur(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsPhosphorus(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphorus(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsAromatic(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAromatic(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsInRing(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsInRing(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsInRingSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jint jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (int)jarg2; + result = (bool)(*arg1)->IsInRingSize(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsHeteroatom(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHeteroatom(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsNotCorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNotCorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsConnected(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsConnected(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsOneThree(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneThree(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsOneFour(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBAtom **)&jarg2; + result = (bool)(*arg1)->IsOneFour(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsCarboxylOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsCarboxylOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsPhosphateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPhosphateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsSulfateOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsSulfateOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsNitroOxygen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNitroOxygen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsAmideNitrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAmideNitrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsNonPolarHydrogen(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNonPolarHydrogen(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsAromaticNOxide(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAromaticNOxide(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsChiral(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsChiral(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsAxial(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAxial(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsAntiClockwise(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsAntiClockwise(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsPositiveStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsPositiveStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsNegativeStereo(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsNegativeStereo(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasChiralitySpecified(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasChiralitySpecified(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasChiralVolume(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasChiralVolume(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsHbondAcceptor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondAcceptor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsHbondDonor(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonor(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1IsHbondDonorH(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->IsHbondDonorH(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasAlphaBetaUnsat_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jboolean jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = jarg2 ? true : false; + result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasAlphaBetaUnsat_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasAlphaBetaUnsat(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasBondOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasBondOfOrder(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jint JNICALL Java_openbabelJNI_OBResidueAtomIter_1CountBondsOfOrder(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jint jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int arg2 ; + int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (int)(*arg1)->CountBondsOfOrder(arg2); + jresult = (jint)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasNonSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasNonSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasSingleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasSingleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasDoubleBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasDoubleBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasAromaticBond(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (bool)(*arg1)->HasAromaticBond(); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1MatchesSMARTS(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jstring jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + char *arg2 = (char *) 0 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = 0; + if (jarg2) { + arg2 = (char *)jenv->GetStringUTFChars(jarg2, 0); + if (!arg2) return 0; + } + result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2); + jresult = (jboolean)result; + if (arg2) jenv->ReleaseStringUTFChars(jarg2, (const char *)arg2); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1DoTransformations(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::map *arg2 = (std::map *) 0 ; + OpenBabel::OBBase *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::map **)&jarg2; + result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map const *)arg2); + *(OpenBabel::OBBase **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jstring JNICALL Java_openbabelJNI_OBResidueAtomIter_1ClassDescription(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jstring jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + char *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (char *)(*arg1)->ClassDescription(); + if(result) jresult = jenv->NewStringUTF((const char *)result); + return jresult; +} + + +SWIGEXPORT jboolean JNICALL Java_openbabelJNI_OBResidueAtomIter_1HasData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jboolean jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int arg2 ; + bool result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (bool)(*arg1)->HasData(arg2); + jresult = (jboolean)result; + return jresult; +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1DeleteData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int arg2 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1DeleteData_1_1SWIG_11(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->DeleteData(arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1DeleteData_1_1SWIG_12(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::vector *arg2 = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(std::vector **)&jarg2; + if(!arg2) { + SWIG_JavaThrowException(jenv, SWIG_JavaNullPointerException, "std::vector & reference is null"); + return ; + } + (*arg1)->DeleteData(*arg2); +} + + +SWIGEXPORT void JNICALL Java_openbabelJNI_OBResidueAtomIter_1SetData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2, jobject jarg2_) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + (void)jarg2_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = *(OpenBabel::OBGenericData **)&jarg2; + (*arg1)->SetData(arg2); +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1DataSize(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (unsigned int)(*arg1)->DataSize(); + jresult = (jlong)result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetData_1_1SWIG_10(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_, jlong jarg2) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + unsigned int arg2 ; + OpenBabel::OBGenericData *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + arg2 = (unsigned int)jarg2; + result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2); + *(OpenBabel::OBGenericData **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1GetData_1_1SWIG_13(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + std::vector *result = 0 ; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + { + std::vector &_result_ref = (*arg1)->GetData(); + result = (std::vector *) &_result_ref; + } + *(std::vector **)&jresult = result; + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1BeginData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (*arg1)->BeginData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_OBResidueAtomIter_1EndData(JNIEnv *jenv, jclass jcls, jlong jarg1, jobject jarg1_) { + jlong jresult = 0 ; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + SwigValueWrapper::iterator > result; + + (void)jenv; + (void)jcls; + (void)jarg1_; + arg1 = *(OpenBabel::OBResidueAtomIter **)&jarg1; + result = (*arg1)->EndData(); + *(std::vector::iterator **)&jresult = new std::vector::iterator((std::vector::iterator &)result); + return jresult; +} + + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBElementTableUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGlobalDataBase **)&baseptr = *(OpenBabel::OBElementTable **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBIsotopeTableUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGlobalDataBase **)&baseptr = *(OpenBabel::OBIsotopeTable **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBTypeTableUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGlobalDataBase **)&baseptr = *(OpenBabel::OBTypeTable **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBResidueDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGlobalDataBase **)&baseptr = *(OpenBabel::OBResidueData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBCommentDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBCommentData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBExternalBondDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBExternalBondData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBPairDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBPairData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBSetDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBSetData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBVirtualBondUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBVirtualBond **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBRingDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBRingData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBUnitCellUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBUnitCell **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBConformerDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBConformerData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBSymmetryDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBSymmetryData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBTorsionDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBTorsionData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBAngleDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBAngleData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBChiralDataUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBChiralData **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBSerialNumsUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBGenericData **)&baseptr = *(OpenBabel::OBSerialNums **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBResidueUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBBase **)&baseptr = *(OpenBabel::OBResidue **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBAtomUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBBase **)&baseptr = *(OpenBabel::OBAtom **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBBondUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBBase **)&baseptr = *(OpenBabel::OBBond **)&jarg1; + return baseptr; +} + +SWIGEXPORT jlong JNICALL Java_openbabelJNI_SWIGOBMolUpcast(JNIEnv *jenv, jclass jcls, jlong jarg1) { + jlong baseptr = 0; + (void)jenv; + (void)jcls; + *(OpenBabel::OBBase **)&baseptr = *(OpenBabel::OBMol **)&jarg1; + return baseptr; +} + +#ifdef __cplusplus +} +#endif + diff --git a/scripts/java/vVector3.java b/scripts/java/vVector3.java index 45122ceaf..48b2681e6 100644 --- a/scripts/java/vVector3.java +++ b/scripts/java/vVector3.java @@ -27,49 +27,49 @@ public class vVector3 { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vVector3(swigCPtr); + openbabelJNI.delete_vVector3(swigCPtr); } swigCPtr = 0; } public vVector3() { - this(net.sourceforge.openbabelJNI.new_vVector3__SWIG_0(), true); + this(openbabelJNI.new_vVector3__SWIG_0(), true); } public vVector3(long n) { - this(net.sourceforge.openbabelJNI.new_vVector3__SWIG_1(n), true); + this(openbabelJNI.new_vVector3__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vVector3_size(swigCPtr, this); + return openbabelJNI.vVector3_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vVector3_capacity(swigCPtr, this); + return openbabelJNI.vVector3_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vVector3_reserve(swigCPtr, this, n); + openbabelJNI.vVector3_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vVector3_isEmpty(swigCPtr, this); + return openbabelJNI.vVector3_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vVector3_clear(swigCPtr, this); + openbabelJNI.vVector3_clear(swigCPtr, this); } public void add(vector3 x) { - net.sourceforge.openbabelJNI.vVector3_add(swigCPtr, this, vector3.getCPtr(x), x); + openbabelJNI.vVector3_add(swigCPtr, this, vector3.getCPtr(x), x); } public vector3 get(int i) { - return new vector3(net.sourceforge.openbabelJNI.vVector3_get(swigCPtr, this, i), false); + return new vector3(openbabelJNI.vVector3_get(swigCPtr, this, i), false); } public void set(int i, vector3 x) { - net.sourceforge.openbabelJNI.vVector3_set(swigCPtr, this, i, vector3.getCPtr(x), x); + openbabelJNI.vVector3_set(swigCPtr, this, i, vector3.getCPtr(x), x); } } diff --git a/scripts/java/vector3.java b/scripts/java/vector3.java index e61766a77..a4c845a74 100644 --- a/scripts/java/vector3.java +++ b/scripts/java/vector3.java @@ -27,106 +27,106 @@ public class vector3 { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vector3(swigCPtr); + openbabelJNI.delete_vector3(swigCPtr); } swigCPtr = 0; } public vector3(double x, double y, double z) { - this(net.sourceforge.openbabelJNI.new_vector3__SWIG_0(x, y, z), true); + this(openbabelJNI.new_vector3__SWIG_0(x, y, z), true); } public vector3(double x, double y) { - this(net.sourceforge.openbabelJNI.new_vector3__SWIG_1(x, y), true); + this(openbabelJNI.new_vector3__SWIG_1(x, y), true); } public vector3(double x) { - this(net.sourceforge.openbabelJNI.new_vector3__SWIG_2(x), true); + this(openbabelJNI.new_vector3__SWIG_2(x), true); } public vector3() { - this(net.sourceforge.openbabelJNI.new_vector3__SWIG_3(), true); + this(openbabelJNI.new_vector3__SWIG_3(), true); } public vector3(vector3 v) { - this(net.sourceforge.openbabelJNI.new_vector3__SWIG_4(vector3.getCPtr(v), v), true); + this(openbabelJNI.new_vector3__SWIG_4(vector3.getCPtr(v), v), true); } public void Set(double x, double y, double z) { - net.sourceforge.openbabelJNI.vector3_Set__SWIG_0(swigCPtr, this, x, y, z); + openbabelJNI.vector3_Set__SWIG_0(swigCPtr, this, x, y, z); } public void Set(SWIGTYPE_p_double c) { - net.sourceforge.openbabelJNI.vector3_Set__SWIG_1(swigCPtr, this, SWIGTYPE_p_double.getCPtr(c)); + openbabelJNI.vector3_Set__SWIG_1(swigCPtr, this, SWIGTYPE_p_double.getCPtr(c)); } public void SetX(double x) { - net.sourceforge.openbabelJNI.vector3_SetX(swigCPtr, this, x); + openbabelJNI.vector3_SetX(swigCPtr, this, x); } public void SetY(double y) { - net.sourceforge.openbabelJNI.vector3_SetY(swigCPtr, this, y); + openbabelJNI.vector3_SetY(swigCPtr, this, y); } public void SetZ(double z) { - net.sourceforge.openbabelJNI.vector3_SetZ(swigCPtr, this, z); + openbabelJNI.vector3_SetZ(swigCPtr, this, z); } public void Get(SWIGTYPE_p_double c) { - net.sourceforge.openbabelJNI.vector3_Get(swigCPtr, this, SWIGTYPE_p_double.getCPtr(c)); + openbabelJNI.vector3_Get(swigCPtr, this, SWIGTYPE_p_double.getCPtr(c)); } public boolean IsApprox(vector3 arg0, double precision) { - return net.sourceforge.openbabelJNI.vector3_IsApprox(swigCPtr, this, vector3.getCPtr(arg0), arg0, precision); + return openbabelJNI.vector3_IsApprox(swigCPtr, this, vector3.getCPtr(arg0), arg0, precision); } public SWIGTYPE_p_double AsArray() { - long cPtr = net.sourceforge.openbabelJNI.vector3_AsArray(swigCPtr, this); + long cPtr = openbabelJNI.vector3_AsArray(swigCPtr, this); return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false); } public void randomUnitVector(OBRandom oeRand) { - net.sourceforge.openbabelJNI.vector3_randomUnitVector__SWIG_0(swigCPtr, this, OBRandom.getCPtr(oeRand), oeRand); + openbabelJNI.vector3_randomUnitVector__SWIG_0(swigCPtr, this, OBRandom.getCPtr(oeRand), oeRand); } public void randomUnitVector() { - net.sourceforge.openbabelJNI.vector3_randomUnitVector__SWIG_1(swigCPtr, this); + openbabelJNI.vector3_randomUnitVector__SWIG_1(swigCPtr, this); } public vector3 normalize() { - return new vector3(net.sourceforge.openbabelJNI.vector3_normalize(swigCPtr, this), false); + return new vector3(openbabelJNI.vector3_normalize(swigCPtr, this), false); } public boolean CanBeNormalized() { - return net.sourceforge.openbabelJNI.vector3_CanBeNormalized(swigCPtr, this); + return openbabelJNI.vector3_CanBeNormalized(swigCPtr, this); } public double length() { - return net.sourceforge.openbabelJNI.vector3_length(swigCPtr, this); + return openbabelJNI.vector3_length(swigCPtr, this); } public double length_2() { - return net.sourceforge.openbabelJNI.vector3_length_2(swigCPtr, this); + return openbabelJNI.vector3_length_2(swigCPtr, this); } public double x() { - return net.sourceforge.openbabelJNI.vector3_x(swigCPtr, this); + return openbabelJNI.vector3_x(swigCPtr, this); } public double y() { - return net.sourceforge.openbabelJNI.vector3_y(swigCPtr, this); + return openbabelJNI.vector3_y(swigCPtr, this); } public double z() { - return net.sourceforge.openbabelJNI.vector3_z(swigCPtr, this); + return openbabelJNI.vector3_z(swigCPtr, this); } public double distSq(vector3 vv) { - return net.sourceforge.openbabelJNI.vector3_distSq(swigCPtr, this, vector3.getCPtr(vv), vv); + return openbabelJNI.vector3_distSq(swigCPtr, this, vector3.getCPtr(vv), vv); } public boolean createOrthoVector(vector3 v) { - return net.sourceforge.openbabelJNI.vector3_createOrthoVector(swigCPtr, this, vector3.getCPtr(v), v); + return openbabelJNI.vector3_createOrthoVector(swigCPtr, this, vector3.getCPtr(v), v); } } diff --git a/scripts/java/vectorBond.java b/scripts/java/vectorBond.java index baa7584d7..c95fad932 100644 --- a/scripts/java/vectorBond.java +++ b/scripts/java/vectorBond.java @@ -27,49 +27,49 @@ public class vectorBond { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vectorBond(swigCPtr); + openbabelJNI.delete_vectorBond(swigCPtr); } swigCPtr = 0; } public vectorBond() { - this(net.sourceforge.openbabelJNI.new_vectorBond__SWIG_0(), true); + this(openbabelJNI.new_vectorBond__SWIG_0(), true); } public vectorBond(long n) { - this(net.sourceforge.openbabelJNI.new_vectorBond__SWIG_1(n), true); + this(openbabelJNI.new_vectorBond__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vectorBond_size(swigCPtr, this); + return openbabelJNI.vectorBond_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vectorBond_capacity(swigCPtr, this); + return openbabelJNI.vectorBond_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vectorBond_reserve(swigCPtr, this, n); + openbabelJNI.vectorBond_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vectorBond_isEmpty(swigCPtr, this); + return openbabelJNI.vectorBond_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vectorBond_clear(swigCPtr, this); + openbabelJNI.vectorBond_clear(swigCPtr, this); } public void add(OBBond x) { - net.sourceforge.openbabelJNI.vectorBond_add(swigCPtr, this, OBBond.getCPtr(x), x); + openbabelJNI.vectorBond_add(swigCPtr, this, OBBond.getCPtr(x), x); } public OBBond get(int i) { - return new OBBond(net.sourceforge.openbabelJNI.vectorBond_get(swigCPtr, this, i), false); + return new OBBond(openbabelJNI.vectorBond_get(swigCPtr, this, i), false); } public void set(int i, OBBond x) { - net.sourceforge.openbabelJNI.vectorBond_set(swigCPtr, this, i, OBBond.getCPtr(x), x); + openbabelJNI.vectorBond_set(swigCPtr, this, i, OBBond.getCPtr(x), x); } } diff --git a/scripts/java/vectorData.java b/scripts/java/vectorData.java index 22898302f..b668490e0 100644 --- a/scripts/java/vectorData.java +++ b/scripts/java/vectorData.java @@ -27,50 +27,50 @@ public class vectorData { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vectorData(swigCPtr); + openbabelJNI.delete_vectorData(swigCPtr); } swigCPtr = 0; } public vectorData() { - this(net.sourceforge.openbabelJNI.new_vectorData__SWIG_0(), true); + this(openbabelJNI.new_vectorData__SWIG_0(), true); } public vectorData(long n) { - this(net.sourceforge.openbabelJNI.new_vectorData__SWIG_1(n), true); + this(openbabelJNI.new_vectorData__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vectorData_size(swigCPtr, this); + return openbabelJNI.vectorData_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vectorData_capacity(swigCPtr, this); + return openbabelJNI.vectorData_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vectorData_reserve(swigCPtr, this, n); + openbabelJNI.vectorData_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vectorData_isEmpty(swigCPtr, this); + return openbabelJNI.vectorData_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vectorData_clear(swigCPtr, this); + openbabelJNI.vectorData_clear(swigCPtr, this); } public void add(OBGenericData x) { - net.sourceforge.openbabelJNI.vectorData_add(swigCPtr, this, OBGenericData.getCPtr(x)); + openbabelJNI.vectorData_add(swigCPtr, this, OBGenericData.getCPtr(x)); } public OBGenericData get(int i) { - long cPtr = net.sourceforge.openbabelJNI.vectorData_get(swigCPtr, this, i); + long cPtr = openbabelJNI.vectorData_get(swigCPtr, this, i); return (cPtr == 0) ? null : new OBGenericData(cPtr, false); } public void set(int i, OBGenericData x) { - net.sourceforge.openbabelJNI.vectorData_set(swigCPtr, this, i, OBGenericData.getCPtr(x)); + openbabelJNI.vectorData_set(swigCPtr, this, i, OBGenericData.getCPtr(x)); } } diff --git a/scripts/java/vectorDouble.java b/scripts/java/vectorDouble.java index 9bcaf1da0..6995f9dc0 100644 --- a/scripts/java/vectorDouble.java +++ b/scripts/java/vectorDouble.java @@ -27,49 +27,49 @@ public class vectorDouble { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vectorDouble(swigCPtr); + openbabelJNI.delete_vectorDouble(swigCPtr); } swigCPtr = 0; } public vectorDouble() { - this(net.sourceforge.openbabelJNI.new_vectorDouble__SWIG_0(), true); + this(openbabelJNI.new_vectorDouble__SWIG_0(), true); } public vectorDouble(long n) { - this(net.sourceforge.openbabelJNI.new_vectorDouble__SWIG_1(n), true); + this(openbabelJNI.new_vectorDouble__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vectorDouble_size(swigCPtr, this); + return openbabelJNI.vectorDouble_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vectorDouble_capacity(swigCPtr, this); + return openbabelJNI.vectorDouble_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vectorDouble_reserve(swigCPtr, this, n); + openbabelJNI.vectorDouble_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vectorDouble_isEmpty(swigCPtr, this); + return openbabelJNI.vectorDouble_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vectorDouble_clear(swigCPtr, this); + openbabelJNI.vectorDouble_clear(swigCPtr, this); } public void add(double x) { - net.sourceforge.openbabelJNI.vectorDouble_add(swigCPtr, this, x); + openbabelJNI.vectorDouble_add(swigCPtr, this, x); } public double get(int i) { - return net.sourceforge.openbabelJNI.vectorDouble_get(swigCPtr, this, i); + return openbabelJNI.vectorDouble_get(swigCPtr, this, i); } public void set(int i, double x) { - net.sourceforge.openbabelJNI.vectorDouble_set(swigCPtr, this, i, x); + openbabelJNI.vectorDouble_set(swigCPtr, this, i, x); } } diff --git a/scripts/java/vectorInt.java b/scripts/java/vectorInt.java index e25fcfafb..d24a3f647 100644 --- a/scripts/java/vectorInt.java +++ b/scripts/java/vectorInt.java @@ -27,49 +27,49 @@ public class vectorInt { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vectorInt(swigCPtr); + openbabelJNI.delete_vectorInt(swigCPtr); } swigCPtr = 0; } public vectorInt() { - this(net.sourceforge.openbabelJNI.new_vectorInt__SWIG_0(), true); + this(openbabelJNI.new_vectorInt__SWIG_0(), true); } public vectorInt(long n) { - this(net.sourceforge.openbabelJNI.new_vectorInt__SWIG_1(n), true); + this(openbabelJNI.new_vectorInt__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vectorInt_size(swigCPtr, this); + return openbabelJNI.vectorInt_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vectorInt_capacity(swigCPtr, this); + return openbabelJNI.vectorInt_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vectorInt_reserve(swigCPtr, this, n); + openbabelJNI.vectorInt_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vectorInt_isEmpty(swigCPtr, this); + return openbabelJNI.vectorInt_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vectorInt_clear(swigCPtr, this); + openbabelJNI.vectorInt_clear(swigCPtr, this); } public void add(int x) { - net.sourceforge.openbabelJNI.vectorInt_add(swigCPtr, this, x); + openbabelJNI.vectorInt_add(swigCPtr, this, x); } public int get(int i) { - return net.sourceforge.openbabelJNI.vectorInt_get(swigCPtr, this, i); + return openbabelJNI.vectorInt_get(swigCPtr, this, i); } public void set(int i, int x) { - net.sourceforge.openbabelJNI.vectorInt_set(swigCPtr, this, i, x); + openbabelJNI.vectorInt_set(swigCPtr, this, i, x); } } diff --git a/scripts/java/vectorMol.java b/scripts/java/vectorMol.java index dc5e1a0b6..38beb1f1a 100644 --- a/scripts/java/vectorMol.java +++ b/scripts/java/vectorMol.java @@ -27,49 +27,49 @@ public class vectorMol { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vectorMol(swigCPtr); + openbabelJNI.delete_vectorMol(swigCPtr); } swigCPtr = 0; } public vectorMol() { - this(net.sourceforge.openbabelJNI.new_vectorMol__SWIG_0(), true); + this(openbabelJNI.new_vectorMol__SWIG_0(), true); } public vectorMol(long n) { - this(net.sourceforge.openbabelJNI.new_vectorMol__SWIG_1(n), true); + this(openbabelJNI.new_vectorMol__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vectorMol_size(swigCPtr, this); + return openbabelJNI.vectorMol_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vectorMol_capacity(swigCPtr, this); + return openbabelJNI.vectorMol_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vectorMol_reserve(swigCPtr, this, n); + openbabelJNI.vectorMol_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vectorMol_isEmpty(swigCPtr, this); + return openbabelJNI.vectorMol_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vectorMol_clear(swigCPtr, this); + openbabelJNI.vectorMol_clear(swigCPtr, this); } public void add(OBMol x) { - net.sourceforge.openbabelJNI.vectorMol_add(swigCPtr, this, OBMol.getCPtr(x), x); + openbabelJNI.vectorMol_add(swigCPtr, this, OBMol.getCPtr(x), x); } public OBMol get(int i) { - return new OBMol(net.sourceforge.openbabelJNI.vectorMol_get(swigCPtr, this, i), false); + return new OBMol(openbabelJNI.vectorMol_get(swigCPtr, this, i), false); } public void set(int i, OBMol x) { - net.sourceforge.openbabelJNI.vectorMol_set(swigCPtr, this, i, OBMol.getCPtr(x), x); + openbabelJNI.vectorMol_set(swigCPtr, this, i, OBMol.getCPtr(x), x); } } diff --git a/scripts/java/vectorResidue.java b/scripts/java/vectorResidue.java index f5087b181..e13c168cb 100644 --- a/scripts/java/vectorResidue.java +++ b/scripts/java/vectorResidue.java @@ -27,49 +27,49 @@ public class vectorResidue { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vectorResidue(swigCPtr); + openbabelJNI.delete_vectorResidue(swigCPtr); } swigCPtr = 0; } public vectorResidue() { - this(net.sourceforge.openbabelJNI.new_vectorResidue__SWIG_0(), true); + this(openbabelJNI.new_vectorResidue__SWIG_0(), true); } public vectorResidue(long n) { - this(net.sourceforge.openbabelJNI.new_vectorResidue__SWIG_1(n), true); + this(openbabelJNI.new_vectorResidue__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vectorResidue_size(swigCPtr, this); + return openbabelJNI.vectorResidue_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vectorResidue_capacity(swigCPtr, this); + return openbabelJNI.vectorResidue_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vectorResidue_reserve(swigCPtr, this, n); + openbabelJNI.vectorResidue_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vectorResidue_isEmpty(swigCPtr, this); + return openbabelJNI.vectorResidue_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vectorResidue_clear(swigCPtr, this); + openbabelJNI.vectorResidue_clear(swigCPtr, this); } public void add(OBResidue x) { - net.sourceforge.openbabelJNI.vectorResidue_add(swigCPtr, this, OBResidue.getCPtr(x), x); + openbabelJNI.vectorResidue_add(swigCPtr, this, OBResidue.getCPtr(x), x); } public OBResidue get(int i) { - return new OBResidue(net.sourceforge.openbabelJNI.vectorResidue_get(swigCPtr, this, i), false); + return new OBResidue(openbabelJNI.vectorResidue_get(swigCPtr, this, i), false); } public void set(int i, OBResidue x) { - net.sourceforge.openbabelJNI.vectorResidue_set(swigCPtr, this, i, OBResidue.getCPtr(x), x); + openbabelJNI.vectorResidue_set(swigCPtr, this, i, OBResidue.getCPtr(x), x); } } diff --git a/scripts/java/vectorRing.java b/scripts/java/vectorRing.java index c2d8ca3c8..74fe7df9a 100644 --- a/scripts/java/vectorRing.java +++ b/scripts/java/vectorRing.java @@ -27,49 +27,49 @@ public class vectorRing { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vectorRing(swigCPtr); + openbabelJNI.delete_vectorRing(swigCPtr); } swigCPtr = 0; } public vectorRing() { - this(net.sourceforge.openbabelJNI.new_vectorRing__SWIG_0(), true); + this(openbabelJNI.new_vectorRing__SWIG_0(), true); } public vectorRing(long n) { - this(net.sourceforge.openbabelJNI.new_vectorRing__SWIG_1(n), true); + this(openbabelJNI.new_vectorRing__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vectorRing_size(swigCPtr, this); + return openbabelJNI.vectorRing_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vectorRing_capacity(swigCPtr, this); + return openbabelJNI.vectorRing_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vectorRing_reserve(swigCPtr, this, n); + openbabelJNI.vectorRing_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vectorRing_isEmpty(swigCPtr, this); + return openbabelJNI.vectorRing_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vectorRing_clear(swigCPtr, this); + openbabelJNI.vectorRing_clear(swigCPtr, this); } public void add(OBRing x) { - net.sourceforge.openbabelJNI.vectorRing_add(swigCPtr, this, OBRing.getCPtr(x), x); + openbabelJNI.vectorRing_add(swigCPtr, this, OBRing.getCPtr(x), x); } public OBRing get(int i) { - return new OBRing(net.sourceforge.openbabelJNI.vectorRing_get(swigCPtr, this, i), false); + return new OBRing(openbabelJNI.vectorRing_get(swigCPtr, this, i), false); } public void set(int i, OBRing x) { - net.sourceforge.openbabelJNI.vectorRing_set(swigCPtr, this, i, OBRing.getCPtr(x), x); + openbabelJNI.vectorRing_set(swigCPtr, this, i, OBRing.getCPtr(x), x); } } diff --git a/scripts/java/vectorTOBBond_pt__iterator.java b/scripts/java/vectorTOBBond_pt__iterator.java new file mode 100644 index 000000000..ccd569af1 --- /dev/null +++ b/scripts/java/vectorTOBBond_pt__iterator.java @@ -0,0 +1,25 @@ +/* ---------------------------------------------------------------------------- + * This file was automatically generated by SWIG (http://www.swig.org). + * Version 1.3.30 + * + * Do not make changes to this file unless you know what you are doing--modify + * the SWIG interface file instead. + * ----------------------------------------------------------------------------- */ + + +public class SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator { + private long swigCPtr; + + protected SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator(long cPtr, boolean futureUse) { + swigCPtr = cPtr; + } + + protected SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator() { + swigCPtr = 0; + } + + protected static long getCPtr(SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator obj) { + return (obj == null) ? 0 : obj.swigCPtr; + } +} + diff --git a/scripts/java/vvInt.java b/scripts/java/vvInt.java index ec1afbd72..cf42a9916 100644 --- a/scripts/java/vvInt.java +++ b/scripts/java/vvInt.java @@ -27,49 +27,49 @@ public class vvInt { public synchronized void delete() { if(swigCPtr != 0 && swigCMemOwn) { swigCMemOwn = false; - net.sourceforge.openbabelJNI.delete_vvInt(swigCPtr); + openbabelJNI.delete_vvInt(swigCPtr); } swigCPtr = 0; } public vvInt() { - this(net.sourceforge.openbabelJNI.new_vvInt__SWIG_0(), true); + this(openbabelJNI.new_vvInt__SWIG_0(), true); } public vvInt(long n) { - this(net.sourceforge.openbabelJNI.new_vvInt__SWIG_1(n), true); + this(openbabelJNI.new_vvInt__SWIG_1(n), true); } public long size() { - return net.sourceforge.openbabelJNI.vvInt_size(swigCPtr, this); + return openbabelJNI.vvInt_size(swigCPtr, this); } public long capacity() { - return net.sourceforge.openbabelJNI.vvInt_capacity(swigCPtr, this); + return openbabelJNI.vvInt_capacity(swigCPtr, this); } public void reserve(long n) { - net.sourceforge.openbabelJNI.vvInt_reserve(swigCPtr, this, n); + openbabelJNI.vvInt_reserve(swigCPtr, this, n); } public boolean isEmpty() { - return net.sourceforge.openbabelJNI.vvInt_isEmpty(swigCPtr, this); + return openbabelJNI.vvInt_isEmpty(swigCPtr, this); } public void clear() { - net.sourceforge.openbabelJNI.vvInt_clear(swigCPtr, this); + openbabelJNI.vvInt_clear(swigCPtr, this); } public void add(vectorInt x) { - net.sourceforge.openbabelJNI.vvInt_add(swigCPtr, this, vectorInt.getCPtr(x), x); + openbabelJNI.vvInt_add(swigCPtr, this, vectorInt.getCPtr(x), x); } public vectorInt get(int i) { - return new vectorInt(net.sourceforge.openbabelJNI.vvInt_get(swigCPtr, this, i), false); + return new vectorInt(openbabelJNI.vvInt_get(swigCPtr, this, i), false); } public void set(int i, vectorInt x) { - net.sourceforge.openbabelJNI.vvInt_set(swigCPtr, this, i, vectorInt.getCPtr(x), x); + openbabelJNI.vvInt_set(swigCPtr, this, i, vectorInt.getCPtr(x), x); } } diff --git a/scripts/openbabel-java.i b/scripts/openbabel-java.i index b3bcbdf2a..2a39032de 100644 --- a/scripts/openbabel-java.i +++ b/scripts/openbabel-java.i @@ -1,4 +1,4 @@ -%module net.sourceforge.openbabel +%module openbabel %{ // used to set import/export for Cygwin DLLs diff --git a/scripts/perl/OpenBabel.pm b/scripts/perl/OpenBabel.pm index 3e67d6f2a..2581e6f37 100644 --- a/scripts/perl/OpenBabel.pm +++ b/scripts/perl/OpenBabel.pm @@ -1734,166 +1734,6 @@ sub ACQUIRE { } -############# Class : Chemistry::OpenBabel::OBNodeBase ############## - -package Chemistry::OpenBabel::OBNodeBase; -use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS); -@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel ); -%OWNER = (); -%ITERATORS = (); -*swig_Visit_get = *Chemistry::OpenBabelc::OBNodeBase_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBNodeBase_Visit_set; -sub new { - my $pkg = shift; - my $self = Chemistry::OpenBabelc::new_OBNodeBase(@_); - bless $self, $pkg if defined($self); -} - -sub DESTROY { - return unless $_[0]->isa('HASH'); - my $self = tied(%{$_[0]}); - return unless defined $self; - delete $ITERATORS{$self}; - if (exists $OWNER{$self}) { - Chemistry::OpenBabelc::delete_OBNodeBase($self); - delete $OWNER{$self}; - } -} - -*GetIdx = *Chemistry::OpenBabelc::OBNodeBase_GetIdx; -*SetIdx = *Chemistry::OpenBabelc::OBNodeBase_SetIdx; -*GetParent = *Chemistry::OpenBabelc::OBNodeBase_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBNodeBase_SetParent; -*AddEdge = *Chemistry::OpenBabelc::OBNodeBase_AddEdge; -*GetValence = *Chemistry::OpenBabelc::OBNodeBase_GetValence; -*IsConnected = *Chemistry::OpenBabelc::OBNodeBase_IsConnected; -*Error = *Chemistry::OpenBabelc::OBNodeBase_Error; -*GetFormalCharge = *Chemistry::OpenBabelc::OBNodeBase_GetFormalCharge; -*ExplicitHydrogenCount = *Chemistry::OpenBabelc::OBNodeBase_ExplicitHydrogenCount; -*ImplicitHydrogenCount = *Chemistry::OpenBabelc::OBNodeBase_ImplicitHydrogenCount; -*GetImplicitValence = *Chemistry::OpenBabelc::OBNodeBase_GetImplicitValence; -*GetHvyValence = *Chemistry::OpenBabelc::OBNodeBase_GetHvyValence; -*KBOSum = *Chemistry::OpenBabelc::OBNodeBase_KBOSum; -*GetHyb = *Chemistry::OpenBabelc::OBNodeBase_GetHyb; -*MemberOfRingCount = *Chemistry::OpenBabelc::OBNodeBase_MemberOfRingCount; -*GetAtomicNum = *Chemistry::OpenBabelc::OBNodeBase_GetAtomicNum; -*SetMatch = *Chemistry::OpenBabelc::OBNodeBase_SetMatch; -*SetAromatic = *Chemistry::OpenBabelc::OBNodeBase_SetAromatic; -*IsInRingSize = *Chemistry::OpenBabelc::OBNodeBase_IsInRingSize; -*IsAromatic = *Chemistry::OpenBabelc::OBNodeBase_IsAromatic; -*IsInRing = *Chemistry::OpenBabelc::OBNodeBase_IsInRing; -*Eval = *Chemistry::OpenBabelc::OBNodeBase_Eval; -*GetMatch = *Chemistry::OpenBabelc::OBNodeBase_GetMatch; -sub DISOWN { - my $self = shift; - my $ptr = tied(%$self); - delete $OWNER{$ptr}; -} - -sub ACQUIRE { - my $self = shift; - my $ptr = tied(%$self); - $OWNER{$ptr} = 1; -} - - -############# Class : Chemistry::OpenBabel::OBEdgeBase ############## - -package Chemistry::OpenBabel::OBEdgeBase; -use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS); -@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel ); -%OWNER = (); -%ITERATORS = (); -*swig_Visit_get = *Chemistry::OpenBabelc::OBEdgeBase_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBEdgeBase_Visit_set; -sub new { - my $pkg = shift; - my $self = Chemistry::OpenBabelc::new_OBEdgeBase(@_); - bless $self, $pkg if defined($self); -} - -sub DESTROY { - return unless $_[0]->isa('HASH'); - my $self = tied(%{$_[0]}); - return unless defined $self; - delete $ITERATORS{$self}; - if (exists $OWNER{$self}) { - Chemistry::OpenBabelc::delete_OBEdgeBase($self); - delete $OWNER{$self}; - } -} - -*GetParent = *Chemistry::OpenBabelc::OBEdgeBase_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBEdgeBase_SetParent; -*GetIdx = *Chemistry::OpenBabelc::OBEdgeBase_GetIdx; -*SetIdx = *Chemistry::OpenBabelc::OBEdgeBase_SetIdx; -*SetBgn = *Chemistry::OpenBabelc::OBEdgeBase_SetBgn; -*SetEnd = *Chemistry::OpenBabelc::OBEdgeBase_SetEnd; -*SwapEnds = *Chemistry::OpenBabelc::OBEdgeBase_SwapEnds; -*GetBgn = *Chemistry::OpenBabelc::OBEdgeBase_GetBgn; -*GetEnd = *Chemistry::OpenBabelc::OBEdgeBase_GetEnd; -*Error = *Chemistry::OpenBabelc::OBEdgeBase_Error; -*SetClosure = *Chemistry::OpenBabelc::OBEdgeBase_SetClosure; -*IsAromatic = *Chemistry::OpenBabelc::OBEdgeBase_IsAromatic; -*IsInRing = *Chemistry::OpenBabelc::OBEdgeBase_IsInRing; -*IsClosure = *Chemistry::OpenBabelc::OBEdgeBase_IsClosure; -*Eval = *Chemistry::OpenBabelc::OBEdgeBase_Eval; -*GetBO = *Chemistry::OpenBabelc::OBEdgeBase_GetBO; -sub DISOWN { - my $self = shift; - my $ptr = tied(%$self); - delete $OWNER{$ptr}; -} - -sub ACQUIRE { - my $self = shift; - my $ptr = tied(%$self); - $OWNER{$ptr} = 1; -} - - -############# Class : Chemistry::OpenBabel::OBGraphBase ############## - -package Chemistry::OpenBabel::OBGraphBase; -use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS); -@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel ); -%OWNER = (); -%ITERATORS = (); -sub new { - my $pkg = shift; - my $self = Chemistry::OpenBabelc::new_OBGraphBase(@_); - bless $self, $pkg if defined($self); -} - -sub DESTROY { - return unless $_[0]->isa('HASH'); - my $self = tied(%{$_[0]}); - return unless defined $self; - delete $ITERATORS{$self}; - if (exists $OWNER{$self}) { - Chemistry::OpenBabelc::delete_OBGraphBase($self); - delete $OWNER{$self}; - } -} - -*NumNodes = *Chemistry::OpenBabelc::OBGraphBase_NumNodes; -*NumEdges = *Chemistry::OpenBabelc::OBGraphBase_NumEdges; -*ResetVisitFlags = *Chemistry::OpenBabelc::OBGraphBase_ResetVisitFlags; -*SetVisitLock = *Chemistry::OpenBabelc::OBGraphBase_SetVisitLock; -*GetVisitLock = *Chemistry::OpenBabelc::OBGraphBase_GetVisitLock; -sub DISOWN { - my $self = shift; - my $ptr = tied(%$self); - delete $OWNER{$ptr}; -} - -sub ACQUIRE { - my $self = shift; - my $ptr = tied(%$self); - $OWNER{$ptr} = 1; -} - - ############# Class : Chemistry::OpenBabel::OBError ############## package Chemistry::OpenBabel::OBError; @@ -2251,6 +2091,8 @@ sub DESTROY { *GetResidueProperty = *Chemistry::OpenBabelc::OBResidue_GetResidueProperty; *IsHetAtom = *Chemistry::OpenBabelc::OBResidue_IsHetAtom; *IsResidueType = *Chemistry::OpenBabelc::OBResidue_IsResidueType; +*BeginAtoms = *Chemistry::OpenBabelc::OBResidue_BeginAtoms; +*EndAtoms = *Chemistry::OpenBabelc::OBResidue_EndAtoms; *BeginAtom = *Chemistry::OpenBabelc::OBResidue_BeginAtom; *NextAtom = *Chemistry::OpenBabelc::OBResidue_NextAtom; sub DISOWN { @@ -2270,9 +2112,11 @@ sub ACQUIRE { package Chemistry::OpenBabel::OBAtom; use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS); -@ISA = qw( Chemistry::OpenBabel::OBNodeBase Chemistry::OpenBabel ); +@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel ); %OWNER = (); %ITERATORS = (); +*swig_Visit_get = *Chemistry::OpenBabelc::OBAtom_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBAtom_Visit_set; sub new { my $pkg = shift; my $self = Chemistry::OpenBabelc::new_OBAtom(@_); @@ -2305,6 +2149,7 @@ sub DESTROY { *SetCoordPtr = *Chemistry::OpenBabelc::OBAtom_SetCoordPtr; *SetVector = *Chemistry::OpenBabelc::OBAtom_SetVector; *SetResidue = *Chemistry::OpenBabelc::OBAtom_SetResidue; +*SetParent = *Chemistry::OpenBabelc::OBAtom_SetParent; *SetAromatic = *Chemistry::OpenBabelc::OBAtom_SetAromatic; *UnsetAromatic = *Chemistry::OpenBabelc::OBAtom_UnsetAromatic; *SetClockwiseStereo = *Chemistry::OpenBabelc::OBAtom_SetClockwiseStereo; @@ -2340,6 +2185,7 @@ sub DESTROY { *GetVector = *Chemistry::OpenBabelc::OBAtom_GetVector; *GetPartialCharge = *Chemistry::OpenBabelc::OBAtom_GetPartialCharge; *GetResidue = *Chemistry::OpenBabelc::OBAtom_GetResidue; +*GetParent = *Chemistry::OpenBabelc::OBAtom_GetParent; *GetNewBondVector = *Chemistry::OpenBabelc::OBAtom_GetNewBondVector; *GetBond = *Chemistry::OpenBabelc::OBAtom_GetBond; *GetNextAtom = *Chemistry::OpenBabelc::OBAtom_GetNextAtom; @@ -2430,9 +2276,11 @@ sub ACQUIRE { package Chemistry::OpenBabel::OBBond; use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS); -@ISA = qw( Chemistry::OpenBabel::OBEdgeBase Chemistry::OpenBabel ); +@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel ); %OWNER = (); %ITERATORS = (); +*swig_Visit_get = *Chemistry::OpenBabelc::OBBond_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBBond_Visit_set; sub new { my $pkg = shift; my $self = Chemistry::OpenBabelc::new_OBBond(@_); @@ -2454,6 +2302,7 @@ sub DESTROY { *SetBO = *Chemistry::OpenBabelc::OBBond_SetBO; *SetBegin = *Chemistry::OpenBabelc::OBBond_SetBegin; *SetEnd = *Chemistry::OpenBabelc::OBBond_SetEnd; +*SetParent = *Chemistry::OpenBabelc::OBBond_SetParent; *SetLength = *Chemistry::OpenBabelc::OBBond_SetLength; *Set = *Chemistry::OpenBabelc::OBBond_Set; *SetKSingle = *Chemistry::OpenBabelc::OBBond_SetKSingle; @@ -2472,6 +2321,7 @@ sub DESTROY { *UnsetDown = *Chemistry::OpenBabelc::OBBond_UnsetDown; *UnsetAromatic = *Chemistry::OpenBabelc::OBBond_UnsetAromatic; *UnsetKekule = *Chemistry::OpenBabelc::OBBond_UnsetKekule; +*GetIdx = *Chemistry::OpenBabelc::OBBond_GetIdx; *GetBO = *Chemistry::OpenBabelc::OBBond_GetBO; *GetBondOrder = *Chemistry::OpenBabelc::OBBond_GetBondOrder; *GetFlags = *Chemistry::OpenBabelc::OBBond_GetFlags; @@ -2480,6 +2330,7 @@ sub DESTROY { *GetBeginAtom = *Chemistry::OpenBabelc::OBBond_GetBeginAtom; *GetEndAtom = *Chemistry::OpenBabelc::OBBond_GetEndAtom; *GetNbrAtom = *Chemistry::OpenBabelc::OBBond_GetNbrAtom; +*GetParent = *Chemistry::OpenBabelc::OBBond_GetParent; *GetEquibLength = *Chemistry::OpenBabelc::OBBond_GetEquibLength; *GetLength = *Chemistry::OpenBabelc::OBBond_GetLength; *GetNbrAtomIdx = *Chemistry::OpenBabelc::OBBond_GetNbrAtomIdx; @@ -2520,7 +2371,7 @@ sub ACQUIRE { package Chemistry::OpenBabel::OBMol; use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS); -@ISA = qw( Chemistry::OpenBabel::OBGraphBase Chemistry::OpenBabel ); +@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel ); %OWNER = (); %ITERATORS = (); sub new { @@ -2680,6 +2531,12 @@ sub DESTROY { *BeginConformer = *Chemistry::OpenBabelc::OBMol_BeginConformer; *NextConformer = *Chemistry::OpenBabelc::OBMol_NextConformer; *GetConformers = *Chemistry::OpenBabelc::OBMol_GetConformers; +*BeginAtoms = *Chemistry::OpenBabelc::OBMol_BeginAtoms; +*EndAtoms = *Chemistry::OpenBabelc::OBMol_EndAtoms; +*BeginBonds = *Chemistry::OpenBabelc::OBMol_BeginBonds; +*EndBonds = *Chemistry::OpenBabelc::OBMol_EndBonds; +*BeginResidues = *Chemistry::OpenBabelc::OBMol_BeginResidues; +*EndResidues = *Chemistry::OpenBabelc::OBMol_EndResidues; *BeginAtom = *Chemistry::OpenBabelc::OBMol_BeginAtom; *NextAtom = *Chemistry::OpenBabelc::OBMol_NextAtom; *BeginBond = *Chemistry::OpenBabelc::OBMol_BeginBond; @@ -2954,6 +2811,8 @@ sub DESTROY { } } +*swig_Visit_get = *Chemistry::OpenBabelc::OBMolAtomIter_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBMolAtomIter_Visit_set; *Clear = *Chemistry::OpenBabelc::OBMolAtomIter_Clear; *SetIdx = *Chemistry::OpenBabelc::OBMolAtomIter_SetIdx; *SetHyb = *Chemistry::OpenBabelc::OBMolAtomIter_SetHyb; @@ -2969,6 +2828,7 @@ sub DESTROY { *SetVector = *Chemistry::OpenBabelc::OBMolAtomIter_SetVector; *SetCoordPtr = *Chemistry::OpenBabelc::OBMolAtomIter_SetCoordPtr; *SetResidue = *Chemistry::OpenBabelc::OBMolAtomIter_SetResidue; +*SetParent = *Chemistry::OpenBabelc::OBMolAtomIter_SetParent; *SetAromatic = *Chemistry::OpenBabelc::OBMolAtomIter_SetAromatic; *UnsetAromatic = *Chemistry::OpenBabelc::OBMolAtomIter_UnsetAromatic; *SetClockwiseStereo = *Chemistry::OpenBabelc::OBMolAtomIter_SetClockwiseStereo; @@ -3004,6 +2864,7 @@ sub DESTROY { *GetVector = *Chemistry::OpenBabelc::OBMolAtomIter_GetVector; *GetPartialCharge = *Chemistry::OpenBabelc::OBMolAtomIter_GetPartialCharge; *GetResidue = *Chemistry::OpenBabelc::OBMolAtomIter_GetResidue; +*GetParent = *Chemistry::OpenBabelc::OBMolAtomIter_GetParent; *GetNewBondVector = *Chemistry::OpenBabelc::OBMolAtomIter_GetNewBondVector; *GetBond = *Chemistry::OpenBabelc::OBMolAtomIter_GetBond; *GetNextAtom = *Chemistry::OpenBabelc::OBMolAtomIter_GetNextAtom; @@ -3077,15 +2938,6 @@ sub DESTROY { *HasDoubleBond = *Chemistry::OpenBabelc::OBMolAtomIter_HasDoubleBond; *HasAromaticBond = *Chemistry::OpenBabelc::OBMolAtomIter_HasAromaticBond; *MatchesSMARTS = *Chemistry::OpenBabelc::OBMolAtomIter_MatchesSMARTS; -*swig_Visit_get = *Chemistry::OpenBabelc::OBMolAtomIter_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBMolAtomIter_Visit_set; -*GetParent = *Chemistry::OpenBabelc::OBMolAtomIter_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBMolAtomIter_SetParent; -*AddEdge = *Chemistry::OpenBabelc::OBMolAtomIter_AddEdge; -*Error = *Chemistry::OpenBabelc::OBMolAtomIter_Error; -*SetMatch = *Chemistry::OpenBabelc::OBMolAtomIter_SetMatch; -*Eval = *Chemistry::OpenBabelc::OBMolAtomIter_Eval; -*GetMatch = *Chemistry::OpenBabelc::OBMolAtomIter_GetMatch; *DoTransformations = *Chemistry::OpenBabelc::OBMolAtomIter_DoTransformations; *ClassDescription = *Chemistry::OpenBabelc::OBMolAtomIter_ClassDescription; *HasData = *Chemistry::OpenBabelc::OBMolAtomIter_HasData; @@ -3138,6 +2990,8 @@ sub DESTROY { } } +*swig_Visit_get = *Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_set; *Clear = *Chemistry::OpenBabelc::OBMolAtomDFSIter_Clear; *SetIdx = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetIdx; *SetHyb = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetHyb; @@ -3153,6 +3007,7 @@ sub DESTROY { *SetVector = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetVector; *SetCoordPtr = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetCoordPtr; *SetResidue = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetResidue; +*SetParent = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetParent; *SetAromatic = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetAromatic; *UnsetAromatic = *Chemistry::OpenBabelc::OBMolAtomDFSIter_UnsetAromatic; *SetClockwiseStereo = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetClockwiseStereo; @@ -3188,6 +3043,7 @@ sub DESTROY { *GetVector = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetVector; *GetPartialCharge = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetPartialCharge; *GetResidue = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetResidue; +*GetParent = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetParent; *GetNewBondVector = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetNewBondVector; *GetBond = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetBond; *GetNextAtom = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetNextAtom; @@ -3261,15 +3117,6 @@ sub DESTROY { *HasDoubleBond = *Chemistry::OpenBabelc::OBMolAtomDFSIter_HasDoubleBond; *HasAromaticBond = *Chemistry::OpenBabelc::OBMolAtomDFSIter_HasAromaticBond; *MatchesSMARTS = *Chemistry::OpenBabelc::OBMolAtomDFSIter_MatchesSMARTS; -*swig_Visit_get = *Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_set; -*GetParent = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetParent; -*AddEdge = *Chemistry::OpenBabelc::OBMolAtomDFSIter_AddEdge; -*Error = *Chemistry::OpenBabelc::OBMolAtomDFSIter_Error; -*SetMatch = *Chemistry::OpenBabelc::OBMolAtomDFSIter_SetMatch; -*Eval = *Chemistry::OpenBabelc::OBMolAtomDFSIter_Eval; -*GetMatch = *Chemistry::OpenBabelc::OBMolAtomDFSIter_GetMatch; *DoTransformations = *Chemistry::OpenBabelc::OBMolAtomDFSIter_DoTransformations; *ClassDescription = *Chemistry::OpenBabelc::OBMolAtomDFSIter_ClassDescription; *HasData = *Chemistry::OpenBabelc::OBMolAtomDFSIter_HasData; @@ -3322,6 +3169,8 @@ sub DESTROY { } } +*swig_Visit_get = *Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_set; *Clear = *Chemistry::OpenBabelc::OBMolAtomBFSIter_Clear; *SetIdx = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetIdx; *SetHyb = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetHyb; @@ -3337,6 +3186,7 @@ sub DESTROY { *SetVector = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetVector; *SetCoordPtr = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetCoordPtr; *SetResidue = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetResidue; +*SetParent = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetParent; *SetAromatic = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetAromatic; *UnsetAromatic = *Chemistry::OpenBabelc::OBMolAtomBFSIter_UnsetAromatic; *SetClockwiseStereo = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetClockwiseStereo; @@ -3372,6 +3222,7 @@ sub DESTROY { *GetVector = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetVector; *GetPartialCharge = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetPartialCharge; *GetResidue = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetResidue; +*GetParent = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetParent; *GetNewBondVector = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetNewBondVector; *GetBond = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetBond; *GetNextAtom = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetNextAtom; @@ -3445,15 +3296,6 @@ sub DESTROY { *HasDoubleBond = *Chemistry::OpenBabelc::OBMolAtomBFSIter_HasDoubleBond; *HasAromaticBond = *Chemistry::OpenBabelc::OBMolAtomBFSIter_HasAromaticBond; *MatchesSMARTS = *Chemistry::OpenBabelc::OBMolAtomBFSIter_MatchesSMARTS; -*swig_Visit_get = *Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_set; -*GetParent = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetParent; -*AddEdge = *Chemistry::OpenBabelc::OBMolAtomBFSIter_AddEdge; -*Error = *Chemistry::OpenBabelc::OBMolAtomBFSIter_Error; -*SetMatch = *Chemistry::OpenBabelc::OBMolAtomBFSIter_SetMatch; -*Eval = *Chemistry::OpenBabelc::OBMolAtomBFSIter_Eval; -*GetMatch = *Chemistry::OpenBabelc::OBMolAtomBFSIter_GetMatch; *DoTransformations = *Chemistry::OpenBabelc::OBMolAtomBFSIter_DoTransformations; *ClassDescription = *Chemistry::OpenBabelc::OBMolAtomBFSIter_ClassDescription; *HasData = *Chemistry::OpenBabelc::OBMolAtomBFSIter_HasData; @@ -3504,10 +3346,13 @@ sub DESTROY { } } +*swig_Visit_get = *Chemistry::OpenBabelc::OBMolBondIter_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBMolBondIter_Visit_set; *SetIdx = *Chemistry::OpenBabelc::OBMolBondIter_SetIdx; *SetBO = *Chemistry::OpenBabelc::OBMolBondIter_SetBO; *SetBegin = *Chemistry::OpenBabelc::OBMolBondIter_SetBegin; *SetEnd = *Chemistry::OpenBabelc::OBMolBondIter_SetEnd; +*SetParent = *Chemistry::OpenBabelc::OBMolBondIter_SetParent; *SetLength = *Chemistry::OpenBabelc::OBMolBondIter_SetLength; *Set = *Chemistry::OpenBabelc::OBMolBondIter_Set; *SetKSingle = *Chemistry::OpenBabelc::OBMolBondIter_SetKSingle; @@ -3526,6 +3371,7 @@ sub DESTROY { *UnsetDown = *Chemistry::OpenBabelc::OBMolBondIter_UnsetDown; *UnsetAromatic = *Chemistry::OpenBabelc::OBMolBondIter_UnsetAromatic; *UnsetKekule = *Chemistry::OpenBabelc::OBMolBondIter_UnsetKekule; +*GetIdx = *Chemistry::OpenBabelc::OBMolBondIter_GetIdx; *GetBO = *Chemistry::OpenBabelc::OBMolBondIter_GetBO; *GetBondOrder = *Chemistry::OpenBabelc::OBMolBondIter_GetBondOrder; *GetFlags = *Chemistry::OpenBabelc::OBMolBondIter_GetFlags; @@ -3534,6 +3380,7 @@ sub DESTROY { *GetBeginAtom = *Chemistry::OpenBabelc::OBMolBondIter_GetBeginAtom; *GetEndAtom = *Chemistry::OpenBabelc::OBMolBondIter_GetEndAtom; *GetNbrAtom = *Chemistry::OpenBabelc::OBMolBondIter_GetNbrAtom; +*GetParent = *Chemistry::OpenBabelc::OBMolBondIter_GetParent; *GetEquibLength = *Chemistry::OpenBabelc::OBMolBondIter_GetEquibLength; *GetLength = *Chemistry::OpenBabelc::OBMolBondIter_GetLength; *GetNbrAtomIdx = *Chemistry::OpenBabelc::OBMolBondIter_GetNbrAtomIdx; @@ -3557,17 +3404,6 @@ sub DESTROY { *IsWedge = *Chemistry::OpenBabelc::OBMolBondIter_IsWedge; *IsHash = *Chemistry::OpenBabelc::OBMolBondIter_IsHash; *IsDoubleBondGeometry = *Chemistry::OpenBabelc::OBMolBondIter_IsDoubleBondGeometry; -*swig_Visit_get = *Chemistry::OpenBabelc::OBMolBondIter_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBMolBondIter_Visit_set; -*GetParent = *Chemistry::OpenBabelc::OBMolBondIter_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBMolBondIter_SetParent; -*GetIdx = *Chemistry::OpenBabelc::OBMolBondIter_GetIdx; -*SetBgn = *Chemistry::OpenBabelc::OBMolBondIter_SetBgn; -*SwapEnds = *Chemistry::OpenBabelc::OBMolBondIter_SwapEnds; -*GetBgn = *Chemistry::OpenBabelc::OBMolBondIter_GetBgn; -*GetEnd = *Chemistry::OpenBabelc::OBMolBondIter_GetEnd; -*Error = *Chemistry::OpenBabelc::OBMolBondIter_Error; -*Eval = *Chemistry::OpenBabelc::OBMolBondIter_Eval; *DoTransformations = *Chemistry::OpenBabelc::OBMolBondIter_DoTransformations; *ClassDescription = *Chemistry::OpenBabelc::OBMolBondIter_ClassDescription; *HasData = *Chemistry::OpenBabelc::OBMolBondIter_HasData; @@ -3618,6 +3454,8 @@ sub DESTROY { } } +*swig_Visit_get = *Chemistry::OpenBabelc::OBAtomAtomIter_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBAtomAtomIter_Visit_set; *Clear = *Chemistry::OpenBabelc::OBAtomAtomIter_Clear; *SetIdx = *Chemistry::OpenBabelc::OBAtomAtomIter_SetIdx; *SetHyb = *Chemistry::OpenBabelc::OBAtomAtomIter_SetHyb; @@ -3633,6 +3471,7 @@ sub DESTROY { *SetVector = *Chemistry::OpenBabelc::OBAtomAtomIter_SetVector; *SetCoordPtr = *Chemistry::OpenBabelc::OBAtomAtomIter_SetCoordPtr; *SetResidue = *Chemistry::OpenBabelc::OBAtomAtomIter_SetResidue; +*SetParent = *Chemistry::OpenBabelc::OBAtomAtomIter_SetParent; *SetAromatic = *Chemistry::OpenBabelc::OBAtomAtomIter_SetAromatic; *UnsetAromatic = *Chemistry::OpenBabelc::OBAtomAtomIter_UnsetAromatic; *SetClockwiseStereo = *Chemistry::OpenBabelc::OBAtomAtomIter_SetClockwiseStereo; @@ -3668,6 +3507,7 @@ sub DESTROY { *GetVector = *Chemistry::OpenBabelc::OBAtomAtomIter_GetVector; *GetPartialCharge = *Chemistry::OpenBabelc::OBAtomAtomIter_GetPartialCharge; *GetResidue = *Chemistry::OpenBabelc::OBAtomAtomIter_GetResidue; +*GetParent = *Chemistry::OpenBabelc::OBAtomAtomIter_GetParent; *GetNewBondVector = *Chemistry::OpenBabelc::OBAtomAtomIter_GetNewBondVector; *GetBond = *Chemistry::OpenBabelc::OBAtomAtomIter_GetBond; *GetNextAtom = *Chemistry::OpenBabelc::OBAtomAtomIter_GetNextAtom; @@ -3741,15 +3581,6 @@ sub DESTROY { *HasDoubleBond = *Chemistry::OpenBabelc::OBAtomAtomIter_HasDoubleBond; *HasAromaticBond = *Chemistry::OpenBabelc::OBAtomAtomIter_HasAromaticBond; *MatchesSMARTS = *Chemistry::OpenBabelc::OBAtomAtomIter_MatchesSMARTS; -*swig_Visit_get = *Chemistry::OpenBabelc::OBAtomAtomIter_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBAtomAtomIter_Visit_set; -*GetParent = *Chemistry::OpenBabelc::OBAtomAtomIter_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBAtomAtomIter_SetParent; -*AddEdge = *Chemistry::OpenBabelc::OBAtomAtomIter_AddEdge; -*Error = *Chemistry::OpenBabelc::OBAtomAtomIter_Error; -*SetMatch = *Chemistry::OpenBabelc::OBAtomAtomIter_SetMatch; -*Eval = *Chemistry::OpenBabelc::OBAtomAtomIter_Eval; -*GetMatch = *Chemistry::OpenBabelc::OBAtomAtomIter_GetMatch; *DoTransformations = *Chemistry::OpenBabelc::OBAtomAtomIter_DoTransformations; *ClassDescription = *Chemistry::OpenBabelc::OBAtomAtomIter_ClassDescription; *HasData = *Chemistry::OpenBabelc::OBAtomAtomIter_HasData; @@ -3800,10 +3631,13 @@ sub DESTROY { } } +*swig_Visit_get = *Chemistry::OpenBabelc::OBAtomBondIter_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBAtomBondIter_Visit_set; *SetIdx = *Chemistry::OpenBabelc::OBAtomBondIter_SetIdx; *SetBO = *Chemistry::OpenBabelc::OBAtomBondIter_SetBO; *SetBegin = *Chemistry::OpenBabelc::OBAtomBondIter_SetBegin; *SetEnd = *Chemistry::OpenBabelc::OBAtomBondIter_SetEnd; +*SetParent = *Chemistry::OpenBabelc::OBAtomBondIter_SetParent; *SetLength = *Chemistry::OpenBabelc::OBAtomBondIter_SetLength; *Set = *Chemistry::OpenBabelc::OBAtomBondIter_Set; *SetKSingle = *Chemistry::OpenBabelc::OBAtomBondIter_SetKSingle; @@ -3822,6 +3656,7 @@ sub DESTROY { *UnsetDown = *Chemistry::OpenBabelc::OBAtomBondIter_UnsetDown; *UnsetAromatic = *Chemistry::OpenBabelc::OBAtomBondIter_UnsetAromatic; *UnsetKekule = *Chemistry::OpenBabelc::OBAtomBondIter_UnsetKekule; +*GetIdx = *Chemistry::OpenBabelc::OBAtomBondIter_GetIdx; *GetBO = *Chemistry::OpenBabelc::OBAtomBondIter_GetBO; *GetBondOrder = *Chemistry::OpenBabelc::OBAtomBondIter_GetBondOrder; *GetFlags = *Chemistry::OpenBabelc::OBAtomBondIter_GetFlags; @@ -3830,6 +3665,7 @@ sub DESTROY { *GetBeginAtom = *Chemistry::OpenBabelc::OBAtomBondIter_GetBeginAtom; *GetEndAtom = *Chemistry::OpenBabelc::OBAtomBondIter_GetEndAtom; *GetNbrAtom = *Chemistry::OpenBabelc::OBAtomBondIter_GetNbrAtom; +*GetParent = *Chemistry::OpenBabelc::OBAtomBondIter_GetParent; *GetEquibLength = *Chemistry::OpenBabelc::OBAtomBondIter_GetEquibLength; *GetLength = *Chemistry::OpenBabelc::OBAtomBondIter_GetLength; *GetNbrAtomIdx = *Chemistry::OpenBabelc::OBAtomBondIter_GetNbrAtomIdx; @@ -3853,17 +3689,6 @@ sub DESTROY { *IsWedge = *Chemistry::OpenBabelc::OBAtomBondIter_IsWedge; *IsHash = *Chemistry::OpenBabelc::OBAtomBondIter_IsHash; *IsDoubleBondGeometry = *Chemistry::OpenBabelc::OBAtomBondIter_IsDoubleBondGeometry; -*swig_Visit_get = *Chemistry::OpenBabelc::OBAtomBondIter_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBAtomBondIter_Visit_set; -*GetParent = *Chemistry::OpenBabelc::OBAtomBondIter_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBAtomBondIter_SetParent; -*GetIdx = *Chemistry::OpenBabelc::OBAtomBondIter_GetIdx; -*SetBgn = *Chemistry::OpenBabelc::OBAtomBondIter_SetBgn; -*SwapEnds = *Chemistry::OpenBabelc::OBAtomBondIter_SwapEnds; -*GetBgn = *Chemistry::OpenBabelc::OBAtomBondIter_GetBgn; -*GetEnd = *Chemistry::OpenBabelc::OBAtomBondIter_GetEnd; -*Error = *Chemistry::OpenBabelc::OBAtomBondIter_Error; -*Eval = *Chemistry::OpenBabelc::OBAtomBondIter_Eval; *DoTransformations = *Chemistry::OpenBabelc::OBAtomBondIter_DoTransformations; *ClassDescription = *Chemistry::OpenBabelc::OBAtomBondIter_ClassDescription; *HasData = *Chemistry::OpenBabelc::OBAtomBondIter_HasData; @@ -3942,6 +3767,8 @@ sub DESTROY { *GetResidueProperty = *Chemistry::OpenBabelc::OBResidueIter_GetResidueProperty; *IsHetAtom = *Chemistry::OpenBabelc::OBResidueIter_IsHetAtom; *IsResidueType = *Chemistry::OpenBabelc::OBResidueIter_IsResidueType; +*BeginAtoms = *Chemistry::OpenBabelc::OBResidueIter_BeginAtoms; +*EndAtoms = *Chemistry::OpenBabelc::OBResidueIter_EndAtoms; *BeginAtom = *Chemistry::OpenBabelc::OBResidueIter_BeginAtom; *NextAtom = *Chemistry::OpenBabelc::OBResidueIter_NextAtom; *DoTransformations = *Chemistry::OpenBabelc::OBResidueIter_DoTransformations; @@ -3994,6 +3821,8 @@ sub DESTROY { } } +*swig_Visit_get = *Chemistry::OpenBabelc::OBResidueAtomIter_Visit_get; +*swig_Visit_set = *Chemistry::OpenBabelc::OBResidueAtomIter_Visit_set; *Clear = *Chemistry::OpenBabelc::OBResidueAtomIter_Clear; *SetIdx = *Chemistry::OpenBabelc::OBResidueAtomIter_SetIdx; *SetHyb = *Chemistry::OpenBabelc::OBResidueAtomIter_SetHyb; @@ -4009,6 +3838,7 @@ sub DESTROY { *SetVector = *Chemistry::OpenBabelc::OBResidueAtomIter_SetVector; *SetCoordPtr = *Chemistry::OpenBabelc::OBResidueAtomIter_SetCoordPtr; *SetResidue = *Chemistry::OpenBabelc::OBResidueAtomIter_SetResidue; +*SetParent = *Chemistry::OpenBabelc::OBResidueAtomIter_SetParent; *SetAromatic = *Chemistry::OpenBabelc::OBResidueAtomIter_SetAromatic; *UnsetAromatic = *Chemistry::OpenBabelc::OBResidueAtomIter_UnsetAromatic; *SetClockwiseStereo = *Chemistry::OpenBabelc::OBResidueAtomIter_SetClockwiseStereo; @@ -4044,6 +3874,7 @@ sub DESTROY { *GetVector = *Chemistry::OpenBabelc::OBResidueAtomIter_GetVector; *GetPartialCharge = *Chemistry::OpenBabelc::OBResidueAtomIter_GetPartialCharge; *GetResidue = *Chemistry::OpenBabelc::OBResidueAtomIter_GetResidue; +*GetParent = *Chemistry::OpenBabelc::OBResidueAtomIter_GetParent; *GetNewBondVector = *Chemistry::OpenBabelc::OBResidueAtomIter_GetNewBondVector; *GetBond = *Chemistry::OpenBabelc::OBResidueAtomIter_GetBond; *GetNextAtom = *Chemistry::OpenBabelc::OBResidueAtomIter_GetNextAtom; @@ -4117,15 +3948,6 @@ sub DESTROY { *HasDoubleBond = *Chemistry::OpenBabelc::OBResidueAtomIter_HasDoubleBond; *HasAromaticBond = *Chemistry::OpenBabelc::OBResidueAtomIter_HasAromaticBond; *MatchesSMARTS = *Chemistry::OpenBabelc::OBResidueAtomIter_MatchesSMARTS; -*swig_Visit_get = *Chemistry::OpenBabelc::OBResidueAtomIter_Visit_get; -*swig_Visit_set = *Chemistry::OpenBabelc::OBResidueAtomIter_Visit_set; -*GetParent = *Chemistry::OpenBabelc::OBResidueAtomIter_GetParent; -*SetParent = *Chemistry::OpenBabelc::OBResidueAtomIter_SetParent; -*AddEdge = *Chemistry::OpenBabelc::OBResidueAtomIter_AddEdge; -*Error = *Chemistry::OpenBabelc::OBResidueAtomIter_Error; -*SetMatch = *Chemistry::OpenBabelc::OBResidueAtomIter_SetMatch; -*Eval = *Chemistry::OpenBabelc::OBResidueAtomIter_Eval; -*GetMatch = *Chemistry::OpenBabelc::OBResidueAtomIter_GetMatch; *DoTransformations = *Chemistry::OpenBabelc::OBResidueAtomIter_DoTransformations; *ClassDescription = *Chemistry::OpenBabelc::OBResidueAtomIter_ClassDescription; *HasData = *Chemistry::OpenBabelc::OBResidueAtomIter_HasData; diff --git a/scripts/perl/openbabel_perl.cpp b/scripts/perl/openbabel_perl.cpp index 3e0babe13..45344fd9b 100644 --- a/scripts/perl/openbabel_perl.cpp +++ b/scripts/perl/openbabel_perl.cpp @@ -1444,111 +1444,106 @@ SWIG_Perl_SetModule(swig_module_info *module) { #define SWIGTYPE_p_OpenBabel__OBCommentData swig_types[15] #define SWIGTYPE_p_OpenBabel__OBConformerData swig_types[16] #define SWIGTYPE_p_OpenBabel__OBConversion swig_types[17] -#define SWIGTYPE_p_OpenBabel__OBEdgeBase swig_types[18] -#define SWIGTYPE_p_OpenBabel__OBElement swig_types[19] -#define SWIGTYPE_p_OpenBabel__OBElementTable swig_types[20] -#define SWIGTYPE_p_OpenBabel__OBError swig_types[21] -#define SWIGTYPE_p_OpenBabel__OBExternalBond swig_types[22] -#define SWIGTYPE_p_OpenBabel__OBExternalBondData swig_types[23] -#define SWIGTYPE_p_OpenBabel__OBFormat swig_types[24] -#define SWIGTYPE_p_OpenBabel__OBGenericData swig_types[25] -#define SWIGTYPE_p_OpenBabel__OBGlobalDataBase swig_types[26] -#define SWIGTYPE_p_OpenBabel__OBGraphBase swig_types[27] -#define SWIGTYPE_p_OpenBabel__OBInternalCoord swig_types[28] -#define SWIGTYPE_p_OpenBabel__OBIsotopeTable swig_types[29] -#define SWIGTYPE_p_OpenBabel__OBMessageHandler swig_types[30] -#define SWIGTYPE_p_OpenBabel__OBMol swig_types[31] -#define SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter swig_types[32] -#define SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter swig_types[33] -#define SWIGTYPE_p_OpenBabel__OBMolAtomIter swig_types[34] -#define SWIGTYPE_p_OpenBabel__OBMolBondIter swig_types[35] -#define SWIGTYPE_p_OpenBabel__OBNodeBase swig_types[36] -#define SWIGTYPE_p_OpenBabel__OBPairData swig_types[37] -#define SWIGTYPE_p_OpenBabel__OBRTree swig_types[38] -#define SWIGTYPE_p_OpenBabel__OBRandom swig_types[39] -#define SWIGTYPE_p_OpenBabel__OBResidue swig_types[40] -#define SWIGTYPE_p_OpenBabel__OBResidueAtomIter swig_types[41] -#define SWIGTYPE_p_OpenBabel__OBResidueData swig_types[42] -#define SWIGTYPE_p_OpenBabel__OBResidueIter swig_types[43] -#define SWIGTYPE_p_OpenBabel__OBRing swig_types[44] -#define SWIGTYPE_p_OpenBabel__OBRingData swig_types[45] -#define SWIGTYPE_p_OpenBabel__OBRingSearch swig_types[46] -#define SWIGTYPE_p_OpenBabel__OBSSMatch swig_types[47] -#define SWIGTYPE_p_OpenBabel__OBSerialNums swig_types[48] -#define SWIGTYPE_p_OpenBabel__OBSetData swig_types[49] -#define SWIGTYPE_p_OpenBabel__OBSmartsPattern swig_types[50] -#define SWIGTYPE_p_OpenBabel__OBSqrtTbl swig_types[51] -#define SWIGTYPE_p_OpenBabel__OBStopwatch swig_types[52] -#define SWIGTYPE_p_OpenBabel__OBSymmetryData swig_types[53] -#define SWIGTYPE_p_OpenBabel__OBTorsion swig_types[54] -#define SWIGTYPE_p_OpenBabel__OBTorsionData swig_types[55] -#define SWIGTYPE_p_OpenBabel__OBTypeTable swig_types[56] -#define SWIGTYPE_p_OpenBabel__OBUnitCell swig_types[57] -#define SWIGTYPE_p_OpenBabel__OBVirtualBond swig_types[58] -#define SWIGTYPE_p_OpenBabel__Pattern swig_types[59] -#define SWIGTYPE_p_OpenBabel__Template swig_types[60] -#define SWIGTYPE_p_OpenBabel__matrix3x3 swig_types[61] -#define SWIGTYPE_p_OpenBabel__obLogBuf swig_types[62] -#define SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[63] -#define SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[64] -#define SWIGTYPE_p_OpenBabel__vector3 swig_types[65] -#define SWIGTYPE_p_a_3__double swig_types[66] -#define SWIGTYPE_p_a_4__char swig_types[67] -#define SWIGTYPE_p_char swig_types[68] -#define SWIGTYPE_p_double swig_types[69] -#define SWIGTYPE_p_int swig_types[70] -#define SWIGTYPE_p_p_OpenBabel__OBFormat swig_types[71] -#define SWIGTYPE_p_p_double swig_types[72] -#define SWIGTYPE_p_p_int swig_types[73] -#define SWIGTYPE_p_std__dequeTint_t swig_types[74] -#define SWIGTYPE_p_std__ifstream swig_types[75] -#define SWIGTYPE_p_std__istream swig_types[76] -#define SWIGTYPE_p_std__mapTchar_const_p_OpenBabel__OBFormat_p_OpenBabel__CharPtrLess_t swig_types[77] -#define SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t swig_types[78] -#define SWIGTYPE_p_std__mapTstd__string_std__string_t swig_types[79] -#define SWIGTYPE_p_std__ostream swig_types[80] -#define SWIGTYPE_p_std__out_of_range swig_types[81] -#define SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[82] -#define SWIGTYPE_p_std__streampos swig_types[83] -#define SWIGTYPE_p_std__string swig_types[84] -#define SWIGTYPE_p_std__type_info swig_types[85] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t swig_types[86] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator swig_types[87] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t swig_types[88] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_t swig_types[89] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator swig_types[90] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_t swig_types[91] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t swig_types[92] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator swig_types[93] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t swig_types[94] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator swig_types[95] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_t swig_types[96] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t swig_types[97] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator swig_types[98] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator swig_types[99] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_t swig_types[100] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t swig_types[101] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator swig_types[102] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_t swig_types[103] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t swig_types[104] -#define SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t swig_types[105] -#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_t swig_types[106] -#define SWIGTYPE_p_std__vectorTdouble_p_t swig_types[107] -#define SWIGTYPE_p_std__vectorTdouble_p_t__iterator swig_types[108] -#define SWIGTYPE_p_std__vectorTdouble_t swig_types[109] -#define SWIGTYPE_p_std__vectorTint_t swig_types[110] -#define SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t swig_types[111] -#define SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t swig_types[112] -#define SWIGTYPE_p_std__vectorTstd__string_t swig_types[113] -#define SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t swig_types[114] -#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t swig_types[115] -#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator swig_types[116] -#define SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t swig_types[117] -#define SWIGTYPE_p_std__vectorTunsigned_int_t swig_types[118] -#define SWIGTYPE_p_std__vectorTunsigned_short_t swig_types[119] -#define SWIGTYPE_p_unsigned_int swig_types[120] -static swig_type_info *swig_types[122]; -static swig_module_info swig_module = {swig_types, 121, 0, 0, 0, 0}; +#define SWIGTYPE_p_OpenBabel__OBElement swig_types[18] +#define SWIGTYPE_p_OpenBabel__OBElementTable swig_types[19] +#define SWIGTYPE_p_OpenBabel__OBError swig_types[20] +#define SWIGTYPE_p_OpenBabel__OBExternalBond swig_types[21] +#define SWIGTYPE_p_OpenBabel__OBExternalBondData swig_types[22] +#define SWIGTYPE_p_OpenBabel__OBFormat swig_types[23] +#define SWIGTYPE_p_OpenBabel__OBGenericData swig_types[24] +#define SWIGTYPE_p_OpenBabel__OBGlobalDataBase swig_types[25] +#define SWIGTYPE_p_OpenBabel__OBInternalCoord swig_types[26] +#define SWIGTYPE_p_OpenBabel__OBIsotopeTable swig_types[27] +#define SWIGTYPE_p_OpenBabel__OBMessageHandler swig_types[28] +#define SWIGTYPE_p_OpenBabel__OBMol swig_types[29] +#define SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter swig_types[30] +#define SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter swig_types[31] +#define SWIGTYPE_p_OpenBabel__OBMolAtomIter swig_types[32] +#define SWIGTYPE_p_OpenBabel__OBMolBondIter swig_types[33] +#define SWIGTYPE_p_OpenBabel__OBPairData swig_types[34] +#define SWIGTYPE_p_OpenBabel__OBRTree swig_types[35] +#define SWIGTYPE_p_OpenBabel__OBRandom swig_types[36] +#define SWIGTYPE_p_OpenBabel__OBResidue swig_types[37] +#define SWIGTYPE_p_OpenBabel__OBResidueAtomIter swig_types[38] +#define SWIGTYPE_p_OpenBabel__OBResidueData swig_types[39] +#define SWIGTYPE_p_OpenBabel__OBResidueIter swig_types[40] +#define SWIGTYPE_p_OpenBabel__OBRing swig_types[41] +#define SWIGTYPE_p_OpenBabel__OBRingData swig_types[42] +#define SWIGTYPE_p_OpenBabel__OBRingSearch swig_types[43] +#define SWIGTYPE_p_OpenBabel__OBSSMatch swig_types[44] +#define SWIGTYPE_p_OpenBabel__OBSerialNums swig_types[45] +#define SWIGTYPE_p_OpenBabel__OBSetData swig_types[46] +#define SWIGTYPE_p_OpenBabel__OBSmartsPattern swig_types[47] +#define SWIGTYPE_p_OpenBabel__OBSqrtTbl swig_types[48] +#define SWIGTYPE_p_OpenBabel__OBStopwatch swig_types[49] +#define SWIGTYPE_p_OpenBabel__OBSymmetryData swig_types[50] +#define SWIGTYPE_p_OpenBabel__OBTorsion swig_types[51] +#define SWIGTYPE_p_OpenBabel__OBTorsionData swig_types[52] +#define SWIGTYPE_p_OpenBabel__OBTypeTable swig_types[53] +#define SWIGTYPE_p_OpenBabel__OBUnitCell swig_types[54] +#define SWIGTYPE_p_OpenBabel__OBVirtualBond swig_types[55] +#define SWIGTYPE_p_OpenBabel__Pattern swig_types[56] +#define SWIGTYPE_p_OpenBabel__Template swig_types[57] +#define SWIGTYPE_p_OpenBabel__matrix3x3 swig_types[58] +#define SWIGTYPE_p_OpenBabel__obLogBuf swig_types[59] +#define SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[60] +#define SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[61] +#define SWIGTYPE_p_OpenBabel__vector3 swig_types[62] +#define SWIGTYPE_p_a_3__double swig_types[63] +#define SWIGTYPE_p_a_4__char swig_types[64] +#define SWIGTYPE_p_char swig_types[65] +#define SWIGTYPE_p_double swig_types[66] +#define SWIGTYPE_p_int swig_types[67] +#define SWIGTYPE_p_p_OpenBabel__OBFormat swig_types[68] +#define SWIGTYPE_p_p_double swig_types[69] +#define SWIGTYPE_p_p_int swig_types[70] +#define SWIGTYPE_p_std__dequeTint_t swig_types[71] +#define SWIGTYPE_p_std__ifstream swig_types[72] +#define SWIGTYPE_p_std__istream swig_types[73] +#define SWIGTYPE_p_std__mapTchar_const_p_OpenBabel__OBFormat_p_OpenBabel__CharPtrLess_t swig_types[74] +#define SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t swig_types[75] +#define SWIGTYPE_p_std__mapTstd__string_std__string_t swig_types[76] +#define SWIGTYPE_p_std__ostream swig_types[77] +#define SWIGTYPE_p_std__out_of_range swig_types[78] +#define SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[79] +#define SWIGTYPE_p_std__streampos swig_types[80] +#define SWIGTYPE_p_std__string swig_types[81] +#define SWIGTYPE_p_std__type_info swig_types[82] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t swig_types[83] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator swig_types[84] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t swig_types[85] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator swig_types[86] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_t swig_types[87] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_t swig_types[88] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t swig_types[89] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator swig_types[90] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t swig_types[91] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator swig_types[92] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_t swig_types[93] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator swig_types[94] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_t swig_types[95] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t swig_types[96] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator swig_types[97] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_t swig_types[98] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t swig_types[99] +#define SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t swig_types[100] +#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_t swig_types[101] +#define SWIGTYPE_p_std__vectorTdouble_p_t swig_types[102] +#define SWIGTYPE_p_std__vectorTdouble_p_t__iterator swig_types[103] +#define SWIGTYPE_p_std__vectorTdouble_t swig_types[104] +#define SWIGTYPE_p_std__vectorTint_t swig_types[105] +#define SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t swig_types[106] +#define SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t swig_types[107] +#define SWIGTYPE_p_std__vectorTstd__string_t swig_types[108] +#define SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t swig_types[109] +#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t swig_types[110] +#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator swig_types[111] +#define SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t swig_types[112] +#define SWIGTYPE_p_std__vectorTunsigned_int_t swig_types[113] +#define SWIGTYPE_p_std__vectorTunsigned_short_t swig_types[114] +#define SWIGTYPE_p_unsigned_int swig_types[115] +static swig_type_info *swig_types[117]; +static swig_module_info swig_module = {swig_types, 116, 0, 0, 0, 0}; #define SWIG_TypeQuery(name) SWIG_TypeQueryModule(&swig_module, &swig_module, name) #define SWIG_MangledTypeQuery(name) SWIG_MangledTypeQueryModule(&swig_module, &swig_module, name) @@ -16252,6 +16247,45 @@ XS(_wrap_OBSetData_SetData) { XS(_wrap_OBSetData_GetData__SWIG_0) { + { + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int res2 ; + char *buf2 = 0 ; + int alloc2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBSetData_GetData(self,s);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBSetData, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_GetData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); + res2 = SWIG_AsCharPtrAndSize(ST(1), &buf2, NULL, &alloc2); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSetData_GetData" "', argument " "2"" of type '" "char const *""'"); + } + arg2 = reinterpret_cast< char * >(buf2); + result = (OpenBabel::OBGenericData *)(arg1)->GetData((char const *)arg2); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, 0 | SWIG_SHADOW); argvi++ ; + + if (alloc2 == SWIG_NEWOBJ) delete[] buf2; + XSRETURN(argvi); + fail: + + if (alloc2 == SWIG_NEWOBJ) delete[] buf2; + SWIG_croak_null(); + } +} + + +XS(_wrap_OBSetData_GetData__SWIG_1) { { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; std::string *arg2 = 0 ; @@ -16294,7 +16328,7 @@ XS(_wrap_OBSetData_GetData__SWIG_0) { } -XS(_wrap_OBSetData_GetData__SWIG_1) { +XS(_wrap_OBSetData_GetData__SWIG_2) { { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; std::vector *result = 0 ; @@ -16381,11 +16415,42 @@ XS(_wrap_OBSetData_GetData) { } check_2: + if (items == 2) { + SWIG_TypeRank _ranki = 0; + SWIG_TypeRank _rankm = 0; + SWIG_TypeRank _pi = 1; + int _v = 0; + { + void *vptr = 0; + int res = SWIG_ConvertPtr(ST(0), &vptr, SWIGTYPE_p_OpenBabel__OBSetData, 0); + _v = SWIG_CheckState(res); + } + if (!_v) goto check_3; + _ranki += _v*_pi; + _rankm += _pi; + _pi *= SWIG_MAXCASTRANK; + { + int res = SWIG_AsCharPtrAndSize(ST(1), 0, NULL, 0); + _v = SWIG_CheckState(res); + } + if (!_v) goto check_3; + _ranki += _v*_pi; + _rankm += _pi; + _pi *= SWIG_MAXCASTRANK; + if (!_index || (_ranki < _rank)) { + _rank = _ranki; _index = 3; + if (_rank == _rankm) goto dispatch; + } + } + check_3: + dispatch: switch(_index) { case 1: - ++PL_markstack_ptr; SWIG_CALLXS(_wrap_OBSetData_GetData__SWIG_1); return; + ++PL_markstack_ptr; SWIG_CALLXS(_wrap_OBSetData_GetData__SWIG_2); return; case 2: + ++PL_markstack_ptr; SWIG_CALLXS(_wrap_OBSetData_GetData__SWIG_1); return; + case 3: ++PL_markstack_ptr; SWIG_CALLXS(_wrap_OBSetData_GetData__SWIG_0); return; } } @@ -22942,1848 +23007,6 @@ XS(_wrap_new_OBBase) { } -XS(_wrap_OBNodeBase_Visit_set) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_Visit_get) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool) ((arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_new_OBNodeBase) { - { - OpenBabel::OBNodeBase *result = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 0) || (items > 0)) { - SWIG_croak("Usage: new_OBNodeBase();"); - } - result = (OpenBabel::OBNodeBase *)new OpenBabel::OBNodeBase(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, SWIG_OWNER | SWIG_SHADOW); argvi++ ; - XSRETURN(argvi); - fail: - SWIG_croak_null(); - } -} - - -XS(_wrap_delete_OBNodeBase) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: delete_OBNodeBase(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, SWIG_POINTER_DISOWN | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBNodeBase" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - delete arg1; - - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetIdx) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetIdx(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetIdx(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_SetIdx) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_SetIdx(self,idx);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_SetIdx" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->SetIdx(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetParent) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetParent" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (OpenBabel::OBGraphBase *)(arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_SetParent) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetParent" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_AddEdge) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_AddEdge(self,b);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (arg1)->AddEdge(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetValence) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetValence(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetValence(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_IsConnected) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_IsConnected(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(arg1)->IsConnected(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_Error) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Error" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetFormalCharge) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetFormalCharge(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (int)((OpenBabel::OBNodeBase const *)arg1)->GetFormalCharge(); - ST(argvi) = SWIG_From_int SWIG_PERL_CALL_ARGS_1(static_cast< int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_ExplicitHydrogenCount) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_ExplicitHydrogenCount(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->ExplicitHydrogenCount(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_ImplicitHydrogenCount) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_ImplicitHydrogenCount(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->ImplicitHydrogenCount(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetImplicitValence) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetImplicitValence(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetImplicitValence(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetHvyValence) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetHvyValence(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetHvyValence(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_KBOSum) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_KBOSum(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->KBOSum(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetHyb) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetHyb(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetHyb(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_MemberOfRingCount) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_MemberOfRingCount(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->MemberOfRingCount(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetAtomicNum) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetAtomicNum(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetAtomicNum(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_SetMatch) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_SetMatch(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetMatch(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_SetAromatic) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_SetAromatic(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - (arg1)->SetAromatic(); - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_IsInRingSize) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_IsInRingSize(self,int);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_IsInRingSize" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsInRingSize(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_IsAromatic) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_IsAromatic(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsAromatic(); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_IsInRing) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_IsInRing(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsInRing(); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_Eval) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBNodeBase_Eval(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Eval" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBNodeBase_GetMatch) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBNodeBase_GetMatch(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetMatch(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_Visit_set) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBEdgeBase_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBEdgeBase_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_Visit_get) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool) ((arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_new_OBEdgeBase__SWIG_0) { - { - OpenBabel::OBEdgeBase *result = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 0) || (items > 0)) { - SWIG_croak("Usage: new_OBEdgeBase();"); - } - result = (OpenBabel::OBEdgeBase *)new OpenBabel::OBEdgeBase(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBEdgeBase, SWIG_OWNER | SWIG_SHADOW); argvi++ ; - XSRETURN(argvi); - fail: - SWIG_croak_null(); - } -} - - -XS(_wrap_new_OBEdgeBase__SWIG_1) { - { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBEdgeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: new_OBEdgeBase(OpenBabel::OBNodeBase *,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBEdgeBase" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBEdgeBase" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (OpenBabel::OBEdgeBase *)new OpenBabel::OBEdgeBase(arg1,arg2); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBEdgeBase, SWIG_OWNER | SWIG_SHADOW); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_new_OBEdgeBase) { - dXSARGS; - - { - unsigned long _index = 0; - SWIG_TypeRank _rank = 0; - if (items == 0) { - SWIG_TypeRank _ranki = 0; - SWIG_TypeRank _rankm = 0; - if (!_index || (_ranki < _rank)) { - _rank = _ranki; _index = 1; - if (_rank == _rankm) goto dispatch; - } - } - if (items == 2) { - SWIG_TypeRank _ranki = 0; - SWIG_TypeRank _rankm = 0; - SWIG_TypeRank _pi = 1; - int _v = 0; - { - void *vptr = 0; - int res = SWIG_ConvertPtr(ST(0), &vptr, SWIGTYPE_p_OpenBabel__OBNodeBase, 0); - _v = SWIG_CheckState(res); - } - if (!_v) goto check_2; - _ranki += _v*_pi; - _rankm += _pi; - _pi *= SWIG_MAXCASTRANK; - { - void *vptr = 0; - int res = SWIG_ConvertPtr(ST(1), &vptr, SWIGTYPE_p_OpenBabel__OBNodeBase, 0); - _v = SWIG_CheckState(res); - } - if (!_v) goto check_2; - _ranki += _v*_pi; - _rankm += _pi; - _pi *= SWIG_MAXCASTRANK; - if (!_index || (_ranki < _rank)) { - _rank = _ranki; _index = 2; - if (_rank == _rankm) goto dispatch; - } - } - check_2: - - dispatch: - switch(_index) { - case 1: - ++PL_markstack_ptr; SWIG_CALLXS(_wrap_new_OBEdgeBase__SWIG_0); return; - case 2: - ++PL_markstack_ptr; SWIG_CALLXS(_wrap_new_OBEdgeBase__SWIG_1); return; - } - } - - croak("No matching function for overloaded 'new_OBEdgeBase'"); - XSRETURN(0); -} - - -XS(_wrap_delete_OBEdgeBase) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: delete_OBEdgeBase(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, SWIG_POINTER_DISOWN | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBEdgeBase" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - delete arg1; - - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_GetParent) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetParent" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBGraphBase *)(arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_SetParent) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBEdgeBase_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetParent" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_GetIdx) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_GetIdx(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (unsigned int)(arg1)->GetIdx(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_SetIdx) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBEdgeBase_SetIdx(self,idx);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBEdgeBase_SetIdx" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->SetIdx(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_SetBgn) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBEdgeBase_SetBgn(self,n);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetBgn" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetBgn(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_SetEnd) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBEdgeBase_SetEnd(self,n);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetEnd" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_SetEnd" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetEnd(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_SwapEnds) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_SwapEnds(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - (arg1)->SwapEnds(); - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_GetBgn) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_GetBgn(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetBgn" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetBgn(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_GetEnd) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_GetEnd(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetEnd(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_Error) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBEdgeBase_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Error" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBEdgeBase_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_SetClosure) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_SetClosure(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetClosure" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - (arg1)->SetClosure(); - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_IsAromatic) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_IsAromatic(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)((OpenBabel::OBEdgeBase const *)arg1)->IsAromatic(); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_IsInRing) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_IsInRing(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)((OpenBabel::OBEdgeBase const *)arg1)->IsInRing(); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_IsClosure) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_IsClosure(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_IsClosure" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)(arg1)->IsClosure(); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_Eval) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBEdgeBase_Eval(self,OpenBabel::OBEdgeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Eval" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBEdgeBase_GetBO) { - { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBEdgeBase_GetBO(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetBO" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBEdgeBase const *)arg1)->GetBO(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_new_OBGraphBase__SWIG_0) { - { - OpenBabel::OBGraphBase *result = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 0) || (items > 0)) { - SWIG_croak("Usage: new_OBGraphBase();"); - } - result = (OpenBabel::OBGraphBase *)new OpenBabel::OBGraphBase(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, SWIG_OWNER | SWIG_SHADOW); argvi++ ; - XSRETURN(argvi); - fail: - SWIG_croak_null(); - } -} - - -XS(_wrap_new_OBGraphBase__SWIG_1) { - { - OpenBabel::OBGraphBase *arg1 = 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: new_OBGraphBase(OpenBabel::OBGraphBase const &);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1, SWIGTYPE_p_OpenBabel__OBGraphBase, 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase const &""'"); - } - if (!argp1) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase const &""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (OpenBabel::OBGraphBase *)new OpenBabel::OBGraphBase((OpenBabel::OBGraphBase const &)*arg1); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, SWIG_OWNER | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_new_OBGraphBase) { - dXSARGS; - - { - unsigned long _index = 0; - SWIG_TypeRank _rank = 0; - if (items == 0) { - SWIG_TypeRank _ranki = 0; - SWIG_TypeRank _rankm = 0; - if (!_index || (_ranki < _rank)) { - _rank = _ranki; _index = 1; - if (_rank == _rankm) goto dispatch; - } - } - if (items == 1) { - SWIG_TypeRank _ranki = 0; - SWIG_TypeRank _rankm = 0; - SWIG_TypeRank _pi = 1; - int _v = 0; - { - void *vptr = 0; - int res = SWIG_ConvertPtr(ST(0), &vptr, SWIGTYPE_p_OpenBabel__OBGraphBase, 0); - _v = SWIG_CheckState(res); - } - if (!_v) goto check_2; - _ranki += _v*_pi; - _rankm += _pi; - _pi *= SWIG_MAXCASTRANK; - if (!_index || (_ranki < _rank)) { - _rank = _ranki; _index = 2; - if (_rank == _rankm) goto dispatch; - } - } - check_2: - - dispatch: - switch(_index) { - case 1: - ++PL_markstack_ptr; SWIG_CALLXS(_wrap_new_OBGraphBase__SWIG_0); return; - case 2: - ++PL_markstack_ptr; SWIG_CALLXS(_wrap_new_OBGraphBase__SWIG_1); return; - } - } - - croak("No matching function for overloaded 'new_OBGraphBase'"); - XSRETURN(0); -} - - -XS(_wrap_delete_OBGraphBase) { - { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: delete_OBGraphBase(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, SWIG_POINTER_DISOWN | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - delete arg1; - - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBGraphBase_NumNodes) { - { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBGraphBase_NumNodes(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_NumNodes" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (unsigned int)(arg1)->NumNodes(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBGraphBase_NumEdges) { - { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBGraphBase_NumEdges(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_NumEdges" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (unsigned int)(arg1)->NumEdges(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBGraphBase_ResetVisitFlags) { - { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBGraphBase_ResetVisitFlags(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_ResetVisitFlags" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - (arg1)->ResetVisitFlags(); - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBGraphBase_SetVisitLock) { - { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - bool arg2 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBGraphBase_SetVisitLock(self,bool);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_SetVisitLock" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBGraphBase_SetVisitLock" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - result = (bool)(arg1)->SetVisitLock(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBGraphBase_GetVisitLock) { - { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBGraphBase_GetVisitLock(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_GetVisitLock" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (bool)(arg1)->GetVisitLock(); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - XS(_wrap_new_OBError__SWIG_0) { { std::string *arg1 = 0 ; @@ -32089,6 +30312,62 @@ XS(_wrap_OBResidue_IsResidueType) { } +XS(_wrap_OBResidue_BeginAtoms) { + { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBResidue_BeginAtoms(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidue, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); + result = (arg1)->BeginAtoms(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBResidue_EndAtoms) { + { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBResidue_EndAtoms(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidue, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); + result = (arg1)->EndAtoms(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBResidue_BeginAtom) { { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; @@ -32171,6 +30450,72 @@ XS(_wrap_OBResidue_NextAtom) { } +XS(_wrap_OBAtom_Visit_set) { + { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBAtom_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtom_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBAtom_Visit_get) { + { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBAtom_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + result = (bool) ((arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_new_OBAtom) { { OpenBabel::OBAtom *result = 0 ; @@ -33073,6 +31418,43 @@ XS(_wrap_OBAtom_SetResidue) { } +XS(_wrap_OBAtom_SetParent) { + { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBAtom_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtom_SetAromatic) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; @@ -34046,6 +32428,34 @@ XS(_wrap_OBAtom_GetResidue) { } +XS(_wrap_OBAtom_GetParent) { + { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBAtom_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtom_GetNewBondVector) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; @@ -34166,7 +32576,7 @@ XS(_wrap_OBAtom_GetNextAtom) { XS(_wrap_OBAtom_BeginBonds) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -34181,7 +32591,7 @@ XS(_wrap_OBAtom_BeginBonds) { } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->BeginBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -34194,7 +32604,7 @@ XS(_wrap_OBAtom_BeginBonds) { XS(_wrap_OBAtom_EndBonds) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -34209,7 +32619,7 @@ XS(_wrap_OBAtom_EndBonds) { } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->EndBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -34222,7 +32632,7 @@ XS(_wrap_OBAtom_EndBonds) { XS(_wrap_OBAtom_BeginBond) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -34239,14 +32649,14 @@ XS(_wrap_OBAtom_BeginBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -34263,7 +32673,7 @@ XS(_wrap_OBAtom_BeginBond) { XS(_wrap_OBAtom_NextBond) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -34280,14 +32690,14 @@ XS(_wrap_OBAtom_NextBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -34304,7 +32714,7 @@ XS(_wrap_OBAtom_NextBond) { XS(_wrap_OBAtom_BeginNbrAtom) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -34314,21 +32724,21 @@ XS(_wrap_OBAtom_BeginNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtom_BeginNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBAtom_BeginNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->BeginNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -34345,7 +32755,7 @@ XS(_wrap_OBAtom_BeginNbrAtom) { XS(_wrap_OBAtom_NextNbrAtom) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -34355,21 +32765,21 @@ XS(_wrap_OBAtom_NextNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtom_NextNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBAtom_NextNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->NextNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -34830,7 +33240,7 @@ XS(_wrap_OBAtom_AddBond) { XS(_wrap_OBAtom_InsertBond) { { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -34849,14 +33259,14 @@ XS(_wrap_OBAtom_InsertBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(ST(2), &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtom_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -36810,6 +35220,72 @@ XS(_wrap_OBAtom_MatchesSMARTS) { } +XS(_wrap_OBBond_Visit_set) { + { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBBond_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBond_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBBond_Visit_get) { + { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBBond_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (bool) ((arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_new_OBBond) { { OpenBabel::OBBond *result = 0 ; @@ -37004,6 +35480,43 @@ XS(_wrap_OBBond_SetEnd) { } +XS(_wrap_OBBond_SetParent) { + { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBBond_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBBond_SetLength) { { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -37560,6 +36073,34 @@ XS(_wrap_OBBond_UnsetKekule) { } +XS(_wrap_OBBond_GetIdx) { + { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBBond_GetIdx(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetIdx(); + ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBBond_GetBO) { { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -37794,6 +36335,34 @@ XS(_wrap_OBBond_GetNbrAtom) { } +XS(_wrap_OBBond_GetParent) { + { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBBond_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBBond_GetEquibLength) { { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -38698,7 +37267,7 @@ XS(_wrap_OBMol_CreateResidue) { XS(_wrap_OBMol_DestroyAtom) { { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -38707,18 +37276,18 @@ XS(_wrap_OBMol_DestroyAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMol_DestroyAtom(self,OpenBabel::OBNodeBase *);"); + SWIG_croak("Usage: OBMol_DestroyAtom(self,OpenBabel::OBAtom *);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DestroyAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyAtom" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'"); } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); + arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->DestroyAtom(arg2); @@ -38735,7 +37304,7 @@ XS(_wrap_OBMol_DestroyAtom) { XS(_wrap_OBMol_DestroyBond) { { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -38744,18 +37313,18 @@ XS(_wrap_OBMol_DestroyBond) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMol_DestroyBond(self,OpenBabel::OBEdgeBase *);"); + SWIG_croak("Usage: OBMol_DestroyBond(self,OpenBabel::OBBond *);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DestroyBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyBond" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'"); } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); + arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (arg1)->DestroyBond(arg2); @@ -42398,7 +40967,7 @@ XS(_wrap_OBMol_Clear) { XS(_wrap_OBMol_RenumberAtoms) { { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector *arg2 = 0 ; + std::vector *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -42407,21 +40976,21 @@ XS(_wrap_OBMol_RenumberAtoms) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMol_RenumberAtoms(self,std::vector &);"); + SWIG_croak("Usage: OBMol_RenumberAtoms(self,std::vector &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_RenumberAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); } - arg2 = reinterpret_cast< std::vector * >(argp2); + arg2 = reinterpret_cast< std::vector * >(argp2); (arg1)->RenumberAtoms(*arg2); @@ -45563,10 +44132,178 @@ XS(_wrap_OBMol_GetConformers) { } +XS(_wrap_OBMol_BeginAtoms) { + { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMol_BeginAtoms(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginAtoms(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMol_EndAtoms) { + { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMol_EndAtoms(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndAtoms(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMol_BeginBonds) { + { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMol_BeginBonds(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginBonds(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMol_EndBonds) { + { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMol_EndBonds(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndBonds(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMol_BeginResidues) { + { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMol_BeginResidues(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginResidues" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginResidues(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBResidueIterator(static_cast< const OpenBabel::OBResidueIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMol_EndResidues) { + { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMol_EndResidues(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndResidues" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndResidues(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBResidueIterator(static_cast< const OpenBabel::OBResidueIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMol_BeginAtom) { { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -45583,14 +44320,14 @@ XS(_wrap_OBMol_BeginAtom) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->BeginAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -45607,7 +44344,7 @@ XS(_wrap_OBMol_BeginAtom) { XS(_wrap_OBMol_NextAtom) { { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -45624,14 +44361,14 @@ XS(_wrap_OBMol_NextAtom) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NextAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->NextAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -45648,7 +44385,7 @@ XS(_wrap_OBMol_NextAtom) { XS(_wrap_OBMol_BeginBond) { { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -45665,14 +44402,14 @@ XS(_wrap_OBMol_BeginBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -45689,7 +44426,7 @@ XS(_wrap_OBMol_BeginBond) { XS(_wrap_OBMol_NextBond) { { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -45706,14 +44443,14 @@ XS(_wrap_OBMol_NextBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -46851,7 +45588,7 @@ XS(_wrap_OBRTree_GetAtomIdx) { XS(_wrap_OBRTree_PathToRoot) { { OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; - std::vector *arg2 = 0 ; + std::vector *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -46860,21 +45597,21 @@ XS(_wrap_OBRTree_PathToRoot) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBRTree_PathToRoot(self,std::vector &);"); + SWIG_croak("Usage: OBRTree_PathToRoot(self,std::vector &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBRTree, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRTree_PathToRoot" "', argument " "1"" of type '" "OpenBabel::OBRTree *""'"); } arg1 = reinterpret_cast< OpenBabel::OBRTree * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); } - arg2 = reinterpret_cast< std::vector * >(argp2); + arg2 = reinterpret_cast< std::vector * >(argp2); (arg1)->PathToRoot(*arg2); @@ -50160,6 +48897,72 @@ XS(_wrap_delete_OBMolAtomIter) { } +XS(_wrap_OBMolAtomIter_Visit_set) { + { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolAtomIter_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMolAtomIter_Visit_get) { + { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolAtomIter_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomIter_Clear) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -51016,6 +49819,43 @@ XS(_wrap_OBMolAtomIter_SetResidue) { } +XS(_wrap_OBMolAtomIter_SetParent) { + { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolAtomIter_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomIter_SetAromatic) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -51989,6 +50829,34 @@ XS(_wrap_OBMolAtomIter_GetResidue) { } +XS(_wrap_OBMolAtomIter_GetParent) { + { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolAtomIter_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomIter_GetNewBondVector) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -52109,7 +50977,7 @@ XS(_wrap_OBMolAtomIter_GetNextAtom) { XS(_wrap_OBMolAtomIter_BeginBonds) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -52124,7 +50992,7 @@ XS(_wrap_OBMolAtomIter_BeginBonds) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -52137,7 +51005,7 @@ XS(_wrap_OBMolAtomIter_BeginBonds) { XS(_wrap_OBMolAtomIter_EndBonds) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -52152,7 +51020,7 @@ XS(_wrap_OBMolAtomIter_EndBonds) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->EndBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -52165,7 +51033,7 @@ XS(_wrap_OBMolAtomIter_EndBonds) { XS(_wrap_OBMolAtomIter_BeginBond) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -52182,14 +51050,14 @@ XS(_wrap_OBMolAtomIter_BeginBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -52206,7 +51074,7 @@ XS(_wrap_OBMolAtomIter_BeginBond) { XS(_wrap_OBMolAtomIter_NextBond) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -52223,14 +51091,14 @@ XS(_wrap_OBMolAtomIter_NextBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -52247,7 +51115,7 @@ XS(_wrap_OBMolAtomIter_NextBond) { XS(_wrap_OBMolAtomIter_BeginNbrAtom) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -52257,21 +51125,21 @@ XS(_wrap_OBMolAtomIter_BeginNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_BeginNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBMolAtomIter_BeginNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -52288,7 +51156,7 @@ XS(_wrap_OBMolAtomIter_BeginNbrAtom) { XS(_wrap_OBMolAtomIter_NextNbrAtom) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -52298,21 +51166,21 @@ XS(_wrap_OBMolAtomIter_NextNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_NextNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBMolAtomIter_NextNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -52773,7 +51641,7 @@ XS(_wrap_OBMolAtomIter_AddBond) { XS(_wrap_OBMolAtomIter_InsertBond) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -52792,14 +51660,14 @@ XS(_wrap_OBMolAtomIter_InsertBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(ST(2), &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -54753,314 +53621,6 @@ XS(_wrap_OBMolAtomIter_MatchesSMARTS) { } -XS(_wrap_OBMolAtomIter_Visit_set) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_Visit_get) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomIter_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_GetParent) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomIter_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_SetParent) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_AddEdge) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_AddEdge(self,b);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_Error) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_SetMatch) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_SetMatch(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_Eval) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomIter_Eval(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomIter_GetMatch) { - { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomIter_GetMatch(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - XS(_wrap_OBMolAtomIter_DoTransformations) { { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -56319,6 +54879,72 @@ XS(_wrap_delete_OBMolAtomDFSIter) { } +XS(_wrap_OBMolAtomDFSIter_Visit_set) { + { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolAtomDFSIter_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMolAtomDFSIter_Visit_get) { + { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolAtomDFSIter_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + result = (bool) ((*arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomDFSIter_Clear) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -57175,6 +55801,43 @@ XS(_wrap_OBMolAtomDFSIter_SetResidue) { } +XS(_wrap_OBMolAtomDFSIter_SetParent) { + { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolAtomDFSIter_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomDFSIter_SetAromatic) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -58148,6 +56811,34 @@ XS(_wrap_OBMolAtomDFSIter_GetResidue) { } +XS(_wrap_OBMolAtomDFSIter_GetParent) { + { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolAtomDFSIter_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomDFSIter_GetNewBondVector) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -58268,7 +56959,7 @@ XS(_wrap_OBMolAtomDFSIter_GetNextAtom) { XS(_wrap_OBMolAtomDFSIter_BeginBonds) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -58283,7 +56974,7 @@ XS(_wrap_OBMolAtomDFSIter_BeginBonds) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->BeginBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -58296,7 +56987,7 @@ XS(_wrap_OBMolAtomDFSIter_BeginBonds) { XS(_wrap_OBMolAtomDFSIter_EndBonds) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -58311,7 +57002,7 @@ XS(_wrap_OBMolAtomDFSIter_EndBonds) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->EndBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -58324,7 +57015,7 @@ XS(_wrap_OBMolAtomDFSIter_EndBonds) { XS(_wrap_OBMolAtomDFSIter_BeginBond) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58341,14 +57032,14 @@ XS(_wrap_OBMolAtomDFSIter_BeginBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -58365,7 +57056,7 @@ XS(_wrap_OBMolAtomDFSIter_BeginBond) { XS(_wrap_OBMolAtomDFSIter_NextBond) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58382,14 +57073,14 @@ XS(_wrap_OBMolAtomDFSIter_NextBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -58406,7 +57097,7 @@ XS(_wrap_OBMolAtomDFSIter_NextBond) { XS(_wrap_OBMolAtomDFSIter_BeginNbrAtom) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58416,21 +57107,21 @@ XS(_wrap_OBMolAtomDFSIter_BeginNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_BeginNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBMolAtomDFSIter_BeginNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -58447,7 +57138,7 @@ XS(_wrap_OBMolAtomDFSIter_BeginNbrAtom) { XS(_wrap_OBMolAtomDFSIter_NextNbrAtom) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58457,21 +57148,21 @@ XS(_wrap_OBMolAtomDFSIter_NextNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_NextNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBMolAtomDFSIter_NextNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -58932,7 +57623,7 @@ XS(_wrap_OBMolAtomDFSIter_AddBond) { XS(_wrap_OBMolAtomDFSIter_InsertBond) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58951,14 +57642,14 @@ XS(_wrap_OBMolAtomDFSIter_InsertBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(ST(2), &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -60912,314 +59603,6 @@ XS(_wrap_OBMolAtomDFSIter_MatchesSMARTS) { } -XS(_wrap_OBMolAtomDFSIter_Visit_set) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_Visit_get) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomDFSIter_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (bool) ((*arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_GetParent) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomDFSIter_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_SetParent) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_AddEdge) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_AddEdge(self,b);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_Error) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_SetMatch) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_SetMatch(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_Eval) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomDFSIter_Eval(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomDFSIter_GetMatch) { - { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomDFSIter_GetMatch(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - XS(_wrap_OBMolAtomDFSIter_DoTransformations) { { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -62478,6 +60861,72 @@ XS(_wrap_delete_OBMolAtomBFSIter) { } +XS(_wrap_OBMolAtomBFSIter_Visit_set) { + { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolAtomBFSIter_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMolAtomBFSIter_Visit_get) { + { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolAtomBFSIter_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + result = (bool) ((*arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomBFSIter_Clear) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -63334,6 +61783,43 @@ XS(_wrap_OBMolAtomBFSIter_SetResidue) { } +XS(_wrap_OBMolAtomBFSIter_SetParent) { + { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolAtomBFSIter_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomBFSIter_SetAromatic) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -64307,6 +62793,34 @@ XS(_wrap_OBMolAtomBFSIter_GetResidue) { } +XS(_wrap_OBMolAtomBFSIter_GetParent) { + { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolAtomBFSIter_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolAtomBFSIter_GetNewBondVector) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -64427,7 +62941,7 @@ XS(_wrap_OBMolAtomBFSIter_GetNextAtom) { XS(_wrap_OBMolAtomBFSIter_BeginBonds) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -64442,7 +62956,7 @@ XS(_wrap_OBMolAtomBFSIter_BeginBonds) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->BeginBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -64455,7 +62969,7 @@ XS(_wrap_OBMolAtomBFSIter_BeginBonds) { XS(_wrap_OBMolAtomBFSIter_EndBonds) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -64470,7 +62984,7 @@ XS(_wrap_OBMolAtomBFSIter_EndBonds) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->EndBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -64483,7 +62997,7 @@ XS(_wrap_OBMolAtomBFSIter_EndBonds) { XS(_wrap_OBMolAtomBFSIter_BeginBond) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -64500,14 +63014,14 @@ XS(_wrap_OBMolAtomBFSIter_BeginBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -64524,7 +63038,7 @@ XS(_wrap_OBMolAtomBFSIter_BeginBond) { XS(_wrap_OBMolAtomBFSIter_NextBond) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -64541,14 +63055,14 @@ XS(_wrap_OBMolAtomBFSIter_NextBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -64565,7 +63079,7 @@ XS(_wrap_OBMolAtomBFSIter_NextBond) { XS(_wrap_OBMolAtomBFSIter_BeginNbrAtom) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -64575,21 +63089,21 @@ XS(_wrap_OBMolAtomBFSIter_BeginNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_BeginNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBMolAtomBFSIter_BeginNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -64606,7 +63120,7 @@ XS(_wrap_OBMolAtomBFSIter_BeginNbrAtom) { XS(_wrap_OBMolAtomBFSIter_NextNbrAtom) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -64616,21 +63130,21 @@ XS(_wrap_OBMolAtomBFSIter_NextNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_NextNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBMolAtomBFSIter_NextNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -65091,7 +63605,7 @@ XS(_wrap_OBMolAtomBFSIter_AddBond) { XS(_wrap_OBMolAtomBFSIter_InsertBond) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -65110,14 +63624,14 @@ XS(_wrap_OBMolAtomBFSIter_InsertBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(ST(2), &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -67071,314 +65585,6 @@ XS(_wrap_OBMolAtomBFSIter_MatchesSMARTS) { } -XS(_wrap_OBMolAtomBFSIter_Visit_set) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_Visit_get) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomBFSIter_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (bool) ((*arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_GetParent) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomBFSIter_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_SetParent) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_AddEdge) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_AddEdge(self,b);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_Error) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_SetMatch) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_SetMatch(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_Eval) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolAtomBFSIter_Eval(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolAtomBFSIter_GetMatch) { - { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolAtomBFSIter_GetMatch(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - XS(_wrap_OBMolAtomBFSIter_DoTransformations) { { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -68665,6 +66871,72 @@ XS(_wrap_delete_OBMolBondIter) { } +XS(_wrap_OBMolBondIter_Visit_set) { + { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolBondIter_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBMolBondIter_Visit_get) { + { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolBondIter_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (bool) ((*arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolBondIter_SetIdx) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -68813,6 +67085,43 @@ XS(_wrap_OBMolBondIter_SetEnd) { } +XS(_wrap_OBMolBondIter_SetParent) { + { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBMolBondIter_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolBondIter_SetLength) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -69369,6 +67678,34 @@ XS(_wrap_OBMolBondIter_UnsetKekule) { } +XS(_wrap_OBMolBondIter_GetIdx) { + { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolBondIter_GetIdx(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (unsigned int)(*arg1)->GetIdx(); + ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolBondIter_GetBO) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -69603,6 +67940,34 @@ XS(_wrap_OBMolBondIter_GetNbrAtom) { } +XS(_wrap_OBMolBondIter_GetParent) { + { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBMolBondIter_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBMolBondIter_GetEquibLength) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -70257,360 +68622,6 @@ XS(_wrap_OBMolBondIter_IsDoubleBondGeometry) { } -XS(_wrap_OBMolBondIter_Visit_set) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolBondIter_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_Visit_get) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolBondIter_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (bool) ((*arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_GetParent) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolBondIter_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_SetParent) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolBondIter_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_GetIdx) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolBondIter_GetIdx(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (unsigned int)(*arg1)->GetIdx(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_SetBgn) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolBondIter_SetBgn(self,n);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetBgn" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetBgn(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_SwapEnds) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolBondIter_SwapEnds(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - (*arg1)->SwapEnds(); - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_GetBgn) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolBondIter_GetBgn(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetBgn" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetBgn(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_GetEnd) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBMolBondIter_GetEnd(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetEnd(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_Error) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolBondIter_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBMolBondIter_Eval) { - { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBMolBondIter_Eval(self,OpenBabel::OBEdgeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - XS(_wrap_OBMolBondIter_DoTransformations) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -71897,6 +69908,72 @@ XS(_wrap_delete_OBAtomAtomIter) { } +XS(_wrap_OBAtomAtomIter_Visit_set) { + { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBAtomAtomIter_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBAtomAtomIter_Visit_get) { + { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBAtomAtomIter_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtomAtomIter_Clear) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -72753,6 +70830,43 @@ XS(_wrap_OBAtomAtomIter_SetResidue) { } +XS(_wrap_OBAtomAtomIter_SetParent) { + { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBAtomAtomIter_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtomAtomIter_SetAromatic) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -73726,6 +71840,34 @@ XS(_wrap_OBAtomAtomIter_GetResidue) { } +XS(_wrap_OBAtomAtomIter_GetParent) { + { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBAtomAtomIter_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtomAtomIter_GetNewBondVector) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -73846,7 +71988,7 @@ XS(_wrap_OBAtomAtomIter_GetNextAtom) { XS(_wrap_OBAtomAtomIter_BeginBonds) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -73861,7 +72003,7 @@ XS(_wrap_OBAtomAtomIter_BeginBonds) { } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -73874,7 +72016,7 @@ XS(_wrap_OBAtomAtomIter_BeginBonds) { XS(_wrap_OBAtomAtomIter_EndBonds) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -73889,7 +72031,7 @@ XS(_wrap_OBAtomAtomIter_EndBonds) { } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->EndBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -73902,7 +72044,7 @@ XS(_wrap_OBAtomAtomIter_EndBonds) { XS(_wrap_OBAtomAtomIter_BeginBond) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -73919,14 +72061,14 @@ XS(_wrap_OBAtomAtomIter_BeginBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -73943,7 +72085,7 @@ XS(_wrap_OBAtomAtomIter_BeginBond) { XS(_wrap_OBAtomAtomIter_NextBond) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -73960,14 +72102,14 @@ XS(_wrap_OBAtomAtomIter_NextBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -73984,7 +72126,7 @@ XS(_wrap_OBAtomAtomIter_NextBond) { XS(_wrap_OBAtomAtomIter_BeginNbrAtom) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -73994,21 +72136,21 @@ XS(_wrap_OBAtomAtomIter_BeginNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_BeginNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBAtomAtomIter_BeginNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -74025,7 +72167,7 @@ XS(_wrap_OBAtomAtomIter_BeginNbrAtom) { XS(_wrap_OBAtomAtomIter_NextNbrAtom) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -74035,21 +72177,21 @@ XS(_wrap_OBAtomAtomIter_NextNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_NextNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBAtomAtomIter_NextNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -74510,7 +72652,7 @@ XS(_wrap_OBAtomAtomIter_AddBond) { XS(_wrap_OBAtomAtomIter_InsertBond) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -74529,14 +72671,14 @@ XS(_wrap_OBAtomAtomIter_InsertBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(ST(2), &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -76490,314 +74632,6 @@ XS(_wrap_OBAtomAtomIter_MatchesSMARTS) { } -XS(_wrap_OBAtomAtomIter_Visit_set) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_Visit_get) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomAtomIter_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_GetParent) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomAtomIter_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_SetParent) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_AddEdge) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_AddEdge(self,b);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_Error) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Error" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_SetMatch) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_SetMatch(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_Eval) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomAtomIter_Eval(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomAtomIter_GetMatch) { - { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomAtomIter_GetMatch(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - XS(_wrap_OBAtomAtomIter_DoTransformations) { { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -78084,6 +75918,72 @@ XS(_wrap_delete_OBAtomBondIter) { } +XS(_wrap_OBAtomBondIter_Visit_set) { + { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBAtomBondIter_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBAtomBondIter_Visit_get) { + { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBAtomBondIter_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (bool) ((*arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtomBondIter_SetIdx) { { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -78232,6 +76132,43 @@ XS(_wrap_OBAtomBondIter_SetEnd) { } +XS(_wrap_OBAtomBondIter_SetParent) { + { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBAtomBondIter_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtomBondIter_SetLength) { { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -78788,6 +76725,34 @@ XS(_wrap_OBAtomBondIter_UnsetKekule) { } +XS(_wrap_OBAtomBondIter_GetIdx) { + { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBAtomBondIter_GetIdx(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (unsigned int)(*arg1)->GetIdx(); + ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtomBondIter_GetBO) { { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -79022,6 +76987,34 @@ XS(_wrap_OBAtomBondIter_GetNbrAtom) { } +XS(_wrap_OBAtomBondIter_GetParent) { + { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBAtomBondIter_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBAtomBondIter_GetEquibLength) { { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -79676,360 +77669,6 @@ XS(_wrap_OBAtomBondIter_IsDoubleBondGeometry) { } -XS(_wrap_OBAtomBondIter_Visit_set) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomBondIter_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_Visit_get) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomBondIter_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (bool) ((*arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_GetParent) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomBondIter_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_SetParent) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomBondIter_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_GetIdx) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomBondIter_GetIdx(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (unsigned int)(*arg1)->GetIdx(); - ST(argvi) = SWIG_From_unsigned_SS_int SWIG_PERL_CALL_ARGS_1(static_cast< unsigned int >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_SetBgn) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomBondIter_SetBgn(self,n);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetBgn" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetBgn(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_SwapEnds) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomBondIter_SwapEnds(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - (*arg1)->SwapEnds(); - - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_GetBgn) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomBondIter_GetBgn(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetBgn" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetBgn(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_GetEnd) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBAtomBondIter_GetEnd(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetEnd(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_Error) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomBondIter_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Error" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBAtomBondIter_Eval) { - { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBAtomBondIter_Eval(self,OpenBabel::OBEdgeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - XS(_wrap_OBAtomBondIter_DoTransformations) { { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -82428,6 +80067,62 @@ XS(_wrap_OBResidueIter_IsResidueType) { } +XS(_wrap_OBResidueIter_BeginAtoms) { + { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBResidueIter_BeginAtoms(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); + result = (*arg1)->BeginAtoms(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBResidueIter_EndAtoms) { + { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBResidueIter_EndAtoms(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); + result = (*arg1)->EndAtoms(); + ST(argvi) = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBResidueIter_BeginAtom) { { OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; @@ -83796,6 +81491,72 @@ XS(_wrap_delete_OBResidueAtomIter) { } +XS(_wrap_OBResidueAtomIter_Visit_set) { + { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBResidueAtomIter_Visit_set(self,Visit);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + +XS(_wrap_OBResidueAtomIter_Visit_get) { + { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBResidueAtomIter_Visit_get(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBResidueAtomIter_Clear) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -84652,6 +82413,43 @@ XS(_wrap_OBResidueAtomIter_SetResidue) { } +XS(_wrap_OBResidueAtomIter_SetParent) { + { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 2) || (items > 2)) { + SWIG_croak("Usage: OBResidueAtomIter_SetParent(self,ptr);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + + + + XSRETURN(argvi); + fail: + + + SWIG_croak_null(); + } +} + + XS(_wrap_OBResidueAtomIter_SetAromatic) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -85625,6 +83423,34 @@ XS(_wrap_OBResidueAtomIter_GetResidue) { } +XS(_wrap_OBResidueAtomIter_GetParent) { + { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int argvi = 0; + dXSARGS; + + if ((items < 1) || (items > 1)) { + SWIG_croak("Usage: OBResidueAtomIter_GetParent(self);"); + } + res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | SWIG_SHADOW); argvi++ ; + + XSRETURN(argvi); + fail: + + SWIG_croak_null(); + } +} + + XS(_wrap_OBResidueAtomIter_GetNewBondVector) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -85745,7 +83571,7 @@ XS(_wrap_OBResidueAtomIter_GetNextAtom) { XS(_wrap_OBResidueAtomIter_BeginBonds) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -85760,7 +83586,7 @@ XS(_wrap_OBResidueAtomIter_BeginBonds) { } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -85773,7 +83599,7 @@ XS(_wrap_OBResidueAtomIter_BeginBonds) { XS(_wrap_OBResidueAtomIter_EndBonds) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; int argvi = 0; @@ -85788,7 +83614,7 @@ XS(_wrap_OBResidueAtomIter_EndBonds) { } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->EndBonds(); - ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; + ST(argvi) = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0); argvi++ ; XSRETURN(argvi); fail: @@ -85801,7 +83627,7 @@ XS(_wrap_OBResidueAtomIter_EndBonds) { XS(_wrap_OBResidueAtomIter_BeginBond) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -85818,14 +83644,14 @@ XS(_wrap_OBResidueAtomIter_BeginBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -85842,7 +83668,7 @@ XS(_wrap_OBResidueAtomIter_BeginBond) { XS(_wrap_OBResidueAtomIter_NextBond) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -85859,14 +83685,14 @@ XS(_wrap_OBResidueAtomIter_NextBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | SWIG_SHADOW); argvi++ ; @@ -85883,7 +83709,7 @@ XS(_wrap_OBResidueAtomIter_NextBond) { XS(_wrap_OBResidueAtomIter_BeginNbrAtom) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -85893,21 +83719,21 @@ XS(_wrap_OBResidueAtomIter_BeginNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_BeginNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBResidueAtomIter_BeginNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -85924,7 +83750,7 @@ XS(_wrap_OBResidueAtomIter_BeginNbrAtom) { XS(_wrap_OBResidueAtomIter_NextNbrAtom) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -85934,21 +83760,21 @@ XS(_wrap_OBResidueAtomIter_NextNbrAtom) { dXSARGS; if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_NextNbrAtom(self,std::vector::iterator &);"); + SWIG_croak("Usage: OBResidueAtomIter_NextNbrAtom(self,std::vector::iterator &);"); } res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); if (!SWIG_IsOK(res1)) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | SWIG_SHADOW); argvi++ ; @@ -86409,7 +84235,7 @@ XS(_wrap_OBResidueAtomIter_AddBond) { XS(_wrap_OBResidueAtomIter_InsertBond) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -86428,14 +84254,14 @@ XS(_wrap_OBResidueAtomIter_InsertBond) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(ST(1), &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(ST(2), &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -88389,314 +86215,6 @@ XS(_wrap_OBResidueAtomIter_MatchesSMARTS) { } -XS(_wrap_OBResidueAtomIter_Visit_set) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_Visit_set(self,Visit);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_Visit_get) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBResidueAtomIter_Visit_get(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_GetParent) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBResidueAtomIter_GetParent(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_SetParent) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_SetParent(self,OpenBabel::OBGraphBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_AddEdge) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_AddEdge(self,b);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_Error) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_Error(self,f);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Error" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int SWIG_PERL_CALL_ARGS_2(ST(1), &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_SetMatch) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_SetMatch(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_Eval) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 2) || (items > 2)) { - SWIG_croak("Usage: OBResidueAtomIter_Eval(self,OpenBabel::OBNodeBase *);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(ST(1), &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - ST(argvi) = SWIG_From_bool SWIG_PERL_CALL_ARGS_1(static_cast< bool >(result)); argvi++ ; - - - XSRETURN(argvi); - fail: - - - SWIG_croak_null(); - } -} - - -XS(_wrap_OBResidueAtomIter_GetMatch) { - { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - int argvi = 0; - dXSARGS; - - if ((items < 1) || (items > 1)) { - SWIG_croak("Usage: OBResidueAtomIter_GetMatch(self);"); - } - res1 = SWIG_ConvertPtr(ST(0), &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - ST(argvi) = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | SWIG_SHADOW); argvi++ ; - - XSRETURN(argvi); - fail: - - SWIG_croak_null(); - } -} - - XS(_wrap_OBResidueAtomIter_DoTransformations) { { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -89648,35 +87166,17 @@ static void *_p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase(void *x) static void *_p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase(void *x) { return (void *)((OpenBabel::OBGlobalDataBase *) ((OpenBabel::OBElementTable *) x)); } -static void *_p_OpenBabel__OBMolTo_p_OpenBabel__OBGraphBase(void *x) { - return (void *)((OpenBabel::OBGraphBase *) ((OpenBabel::OBMol *) x)); -} -static void *_p_OpenBabel__OBAtomTo_p_OpenBabel__OBNodeBase(void *x) { - return (void *)((OpenBabel::OBNodeBase *) ((OpenBabel::OBAtom *) x)); -} static void *_p_OpenBabel__OBMolTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBGraphBase *) ((OpenBabel::OBMol *) x)); -} -static void *_p_OpenBabel__OBNodeBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBNodeBase *) x)); -} -static void *_p_OpenBabel__OBEdgeBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBEdgeBase *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBMol *) x)); } static void *_p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase(void *x) { return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBResidue *) x)); } -static void *_p_OpenBabel__OBGraphBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBGraphBase *) x)); -} static void *_p_OpenBabel__OBBondTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBEdgeBase *) ((OpenBabel::OBBond *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBBond *) x)); } static void *_p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBNodeBase *) ((OpenBabel::OBAtom *) x)); -} -static void *_p_OpenBabel__OBBondTo_p_OpenBabel__OBEdgeBase(void *x) { - return (void *)((OpenBabel::OBEdgeBase *) ((OpenBabel::OBBond *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBAtom *) x)); } static void *_p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData(void *x) { return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSymmetryData *) x)); @@ -89735,7 +87235,6 @@ static swig_type_info _swigt__p_OpenBabel__OBChiralData = {"_p_OpenBabel__OBChir static swig_type_info _swigt__p_OpenBabel__OBCommentData = {"_p_OpenBabel__OBCommentData", "OpenBabel::OBCommentData *", 0, 0, (void*)"Chemistry::OpenBabel::OBCommentData", 0}; static swig_type_info _swigt__p_OpenBabel__OBConformerData = {"_p_OpenBabel__OBConformerData", "OpenBabel::OBConformerData *", 0, 0, (void*)"Chemistry::OpenBabel::OBConformerData", 0}; static swig_type_info _swigt__p_OpenBabel__OBConversion = {"_p_OpenBabel__OBConversion", "OpenBabel::OBConversion *", 0, 0, (void*)"Chemistry::OpenBabel::OBConversion", 0}; -static swig_type_info _swigt__p_OpenBabel__OBEdgeBase = {"_p_OpenBabel__OBEdgeBase", "OpenBabel::OBEdgeBase *", 0, 0, (void*)"Chemistry::OpenBabel::OBEdgeBase", 0}; static swig_type_info _swigt__p_OpenBabel__OBElement = {"_p_OpenBabel__OBElement", "OpenBabel::OBElement *", 0, 0, (void*)"Chemistry::OpenBabel::OBElement", 0}; static swig_type_info _swigt__p_OpenBabel__OBElementTable = {"_p_OpenBabel__OBElementTable", "OpenBabel::OBElementTable *", 0, 0, (void*)"Chemistry::OpenBabel::OBElementTable", 0}; static swig_type_info _swigt__p_OpenBabel__OBError = {"_p_OpenBabel__OBError", "OpenBabel::OBError *", 0, 0, (void*)"Chemistry::OpenBabel::OBError", 0}; @@ -89744,7 +87243,6 @@ static swig_type_info _swigt__p_OpenBabel__OBExternalBondData = {"_p_OpenBabel__ static swig_type_info _swigt__p_OpenBabel__OBFormat = {"_p_OpenBabel__OBFormat", "OpenBabel::OBFormat *", 0, 0, (void*)"Chemistry::OpenBabel::OBFormat", 0}; static swig_type_info _swigt__p_OpenBabel__OBGenericData = {"_p_OpenBabel__OBGenericData", "OpenBabel::OBGenericData *", 0, 0, (void*)"Chemistry::OpenBabel::OBGenericData", 0}; static swig_type_info _swigt__p_OpenBabel__OBGlobalDataBase = {"_p_OpenBabel__OBGlobalDataBase", "OpenBabel::OBGlobalDataBase *", 0, 0, (void*)"Chemistry::OpenBabel::OBGlobalDataBase", 0}; -static swig_type_info _swigt__p_OpenBabel__OBGraphBase = {"_p_OpenBabel__OBGraphBase", "OpenBabel::OBGraphBase *", 0, 0, (void*)"Chemistry::OpenBabel::OBGraphBase", 0}; static swig_type_info _swigt__p_OpenBabel__OBInternalCoord = {"_p_OpenBabel__OBInternalCoord", "OpenBabel::OBInternalCoord *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBIsotopeTable = {"_p_OpenBabel__OBIsotopeTable", "OpenBabel::OBIsotopeTable *", 0, 0, (void*)"Chemistry::OpenBabel::OBIsotopeTable", 0}; static swig_type_info _swigt__p_OpenBabel__OBMessageHandler = {"_p_OpenBabel__OBMessageHandler", "OpenBabel::OBMessageHandler *", 0, 0, (void*)"Chemistry::OpenBabel::OBMessageHandler", 0}; @@ -89753,7 +87251,6 @@ static swig_type_info _swigt__p_OpenBabel__OBMolAtomBFSIter = {"_p_OpenBabel__OB static swig_type_info _swigt__p_OpenBabel__OBMolAtomDFSIter = {"_p_OpenBabel__OBMolAtomDFSIter", "OpenBabel::OBMolAtomDFSIter *", 0, 0, (void*)"Chemistry::OpenBabel::OBMolAtomDFSIter", 0}; static swig_type_info _swigt__p_OpenBabel__OBMolAtomIter = {"_p_OpenBabel__OBMolAtomIter", "OpenBabel::OBMolAtomIter *", 0, 0, (void*)"Chemistry::OpenBabel::OBMolAtomIter", 0}; static swig_type_info _swigt__p_OpenBabel__OBMolBondIter = {"_p_OpenBabel__OBMolBondIter", "OpenBabel::OBMolBondIter *", 0, 0, (void*)"Chemistry::OpenBabel::OBMolBondIter", 0}; -static swig_type_info _swigt__p_OpenBabel__OBNodeBase = {"_p_OpenBabel__OBNodeBase", "OpenBabel::OBNodeBase *", 0, 0, (void*)"Chemistry::OpenBabel::OBNodeBase", 0}; static swig_type_info _swigt__p_OpenBabel__OBPairData = {"_p_OpenBabel__OBPairData", "OpenBabel::OBPairData *", 0, 0, (void*)"Chemistry::OpenBabel::OBPairData", 0}; static swig_type_info _swigt__p_OpenBabel__OBRTree = {"_p_OpenBabel__OBRTree", "OpenBabel::OBRTree *", 0, 0, (void*)"Chemistry::OpenBabel::OBRTree", 0}; static swig_type_info _swigt__p_OpenBabel__OBRandom = {"_p_OpenBabel__OBRandom", "OpenBabel::OBRandom *", 0, 0, (void*)"Chemistry::OpenBabel::OBRandom", 0}; @@ -89806,16 +87303,14 @@ static swig_type_info _swigt__p_std__type_info = {"_p_std__type_info", "std::typ static swig_type_info _swigt__p_std__vectorTOpenBabel__OBAtom_p_t = {"_p_std__vectorTOpenBabel__OBAtom_p_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBAtom_p_t__iterator = {"_p_std__vectorTOpenBabel__OBAtom_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_p_t = {"_p_std__vectorTOpenBabel__OBBond_p_t", "std::vector *", 0, 0, (void*)0, 0}; +static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_p_t__iterator = {"_p_std__vectorTOpenBabel__OBBond_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_t = {"_p_std__vectorTOpenBabel__OBBond_t", "std::vector *", 0, 0, (void*)"Chemistry::OpenBabel::vectorBond", 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator = {"_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBExternalBond_t = {"_p_std__vectorTOpenBabel__OBExternalBond_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBGenericData_p_t = {"_p_std__vectorTOpenBabel__OBGenericData_p_t", "std::vector *", 0, 0, (void*)"Chemistry::OpenBabel::vectorData", 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator = {"_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t = {"_p_std__vectorTOpenBabel__OBInternalCoord_p_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator = {"_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBMol_t = {"_p_std__vectorTOpenBabel__OBMol_t", "std::vector *", 0, 0, (void*)"Chemistry::OpenBabel::vectorMol", 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t = {"_p_std__vectorTOpenBabel__OBNodeBase_p_t", "std::vector *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator = {"_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBResidue_p_t__iterator = {"_p_std__vectorTOpenBabel__OBResidue_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBResidue_t = {"_p_std__vectorTOpenBabel__OBResidue_t", "std::vector *", 0, 0, (void*)"Chemistry::OpenBabel::vectorResidue", 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBRing_p_t = {"_p_std__vectorTOpenBabel__OBRing_p_t", "std::vector *", 0, 0, (void*)0, 0}; @@ -89858,7 +87353,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBCommentData, &_swigt__p_OpenBabel__OBConformerData, &_swigt__p_OpenBabel__OBConversion, - &_swigt__p_OpenBabel__OBEdgeBase, &_swigt__p_OpenBabel__OBElement, &_swigt__p_OpenBabel__OBElementTable, &_swigt__p_OpenBabel__OBError, @@ -89867,7 +87361,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBFormat, &_swigt__p_OpenBabel__OBGenericData, &_swigt__p_OpenBabel__OBGlobalDataBase, - &_swigt__p_OpenBabel__OBGraphBase, &_swigt__p_OpenBabel__OBInternalCoord, &_swigt__p_OpenBabel__OBIsotopeTable, &_swigt__p_OpenBabel__OBMessageHandler, @@ -89876,7 +87369,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBMolAtomDFSIter, &_swigt__p_OpenBabel__OBMolAtomIter, &_swigt__p_OpenBabel__OBMolBondIter, - &_swigt__p_OpenBabel__OBNodeBase, &_swigt__p_OpenBabel__OBPairData, &_swigt__p_OpenBabel__OBRTree, &_swigt__p_OpenBabel__OBRandom, @@ -89929,16 +87421,14 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_std__vectorTOpenBabel__OBAtom_p_t, &_swigt__p_std__vectorTOpenBabel__OBAtom_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBBond_p_t, + &_swigt__p_std__vectorTOpenBabel__OBBond_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBBond_t, - &_swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBExternalBond_t, &_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t, &_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t, &_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBMol_t, - &_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t, - &_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBResidue_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBResidue_t, &_swigt__p_std__vectorTOpenBabel__OBRing_p_t, @@ -89973,7 +87463,7 @@ static swig_cast_info _swigc__p_OpenBabel__OBAtom[] = { {&_swigt__p_OpenBabel__ static swig_cast_info _swigc__p_OpenBabel__OBAtomAtomIter[] = { {&_swigt__p_OpenBabel__OBAtomAtomIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBAtomBondIter[] = { {&_swigt__p_OpenBabel__OBAtomBondIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBAtomTyper[] = { {&_swigt__p_OpenBabel__OBAtomTyper, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBNodeBase, _p_OpenBabel__OBNodeBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBEdgeBase, _p_OpenBabel__OBEdgeBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBResidue, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBGraphBase, _p_OpenBabel__OBGraphBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase, 0, 0},{0, 0, 0, 0}}; +static swig_cast_info _swigc__p_OpenBabel__OBBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBResidue, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBBitVec[] = { {&_swigt__p_OpenBabel__OBBitVec, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBBond[] = { {&_swigt__p_OpenBabel__OBBond, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBChainsParser[] = { {&_swigt__p_OpenBabel__OBChainsParser, 0, 0, 0},{0, 0, 0, 0}}; @@ -89981,7 +87471,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBChiralData[] = { {&_swigt__p_OpenB static swig_cast_info _swigc__p_OpenBabel__OBCommentData[] = { {&_swigt__p_OpenBabel__OBCommentData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBConformerData[] = { {&_swigt__p_OpenBabel__OBConformerData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBConversion[] = { {&_swigt__p_OpenBabel__OBConversion, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBEdgeBase[] = { {&_swigt__p_OpenBabel__OBEdgeBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBEdgeBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBElement[] = { {&_swigt__p_OpenBabel__OBElement, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBElementTable[] = { {&_swigt__p_OpenBabel__OBElementTable, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBError[] = { {&_swigt__p_OpenBabel__OBError, 0, 0, 0},{0, 0, 0, 0}}; @@ -89990,7 +87479,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBExternalBondData[] = { {&_swigt__p static swig_cast_info _swigc__p_OpenBabel__OBFormat[] = { {&_swigt__p_OpenBabel__OBFormat, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBGenericData[] = { {&_swigt__p_OpenBabel__OBTorsionData, _p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBPairData, _p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBAngleData, _p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBChiralData, _p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBRingData, _p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSerialNums, _p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBExternalBondData, _p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSetData, _p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSymmetryData, _p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBCommentData, _p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBVirtualBond, _p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBConformerData, _p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBGenericData, 0, 0, 0}, {&_swigt__p_OpenBabel__OBUnitCell, _p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBGlobalDataBase[] = { {&_swigt__p_OpenBabel__OBAtomTyper, _p_OpenBabel__OBAtomTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBAromaticTyper, _p_OpenBabel__OBAromaticTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBGlobalDataBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBResidueData, _p_OpenBabel__OBResidueDataTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBIsotopeTable, _p_OpenBabel__OBIsotopeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBTypeTable, _p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBElementTable, _p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBGraphBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBGraphBase, 0, 0}, {&_swigt__p_OpenBabel__OBGraphBase, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBInternalCoord[] = { {&_swigt__p_OpenBabel__OBInternalCoord, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBIsotopeTable[] = { {&_swigt__p_OpenBabel__OBIsotopeTable, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMessageHandler[] = { {&_swigt__p_OpenBabel__OBMessageHandler, 0, 0, 0},{0, 0, 0, 0}}; @@ -89999,7 +87487,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBMolAtomBFSIter[] = { {&_swigt__p_O static swig_cast_info _swigc__p_OpenBabel__OBMolAtomDFSIter[] = { {&_swigt__p_OpenBabel__OBMolAtomDFSIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMolAtomIter[] = { {&_swigt__p_OpenBabel__OBMolAtomIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMolBondIter[] = { {&_swigt__p_OpenBabel__OBMolBondIter, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBNodeBase[] = { {&_swigt__p_OpenBabel__OBNodeBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBNodeBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBPairData[] = { {&_swigt__p_OpenBabel__OBPairData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBRTree[] = { {&_swigt__p_OpenBabel__OBRTree, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBRandom[] = { {&_swigt__p_OpenBabel__OBRandom, 0, 0, 0},{0, 0, 0, 0}}; @@ -90052,16 +87539,14 @@ static swig_cast_info _swigc__p_std__type_info[] = { {&_swigt__p_std__type_info static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBAtom_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBAtom_p_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBAtom_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBAtom_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_p_t, 0, 0, 0},{0, 0, 0, 0}}; +static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_t, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBExternalBond_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBExternalBond_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBMol_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBMol_t, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBResidue_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBResidue_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBResidue_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBResidue_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBRing_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBRing_p_t, 0, 0, 0},{0, 0, 0, 0}}; @@ -90104,7 +87589,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBCommentData, _swigc__p_OpenBabel__OBConformerData, _swigc__p_OpenBabel__OBConversion, - _swigc__p_OpenBabel__OBEdgeBase, _swigc__p_OpenBabel__OBElement, _swigc__p_OpenBabel__OBElementTable, _swigc__p_OpenBabel__OBError, @@ -90113,7 +87597,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBFormat, _swigc__p_OpenBabel__OBGenericData, _swigc__p_OpenBabel__OBGlobalDataBase, - _swigc__p_OpenBabel__OBGraphBase, _swigc__p_OpenBabel__OBInternalCoord, _swigc__p_OpenBabel__OBIsotopeTable, _swigc__p_OpenBabel__OBMessageHandler, @@ -90122,7 +87605,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBMolAtomDFSIter, _swigc__p_OpenBabel__OBMolAtomIter, _swigc__p_OpenBabel__OBMolBondIter, - _swigc__p_OpenBabel__OBNodeBase, _swigc__p_OpenBabel__OBPairData, _swigc__p_OpenBabel__OBRTree, _swigc__p_OpenBabel__OBRandom, @@ -90175,16 +87657,14 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_std__vectorTOpenBabel__OBAtom_p_t, _swigc__p_std__vectorTOpenBabel__OBAtom_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBBond_p_t, + _swigc__p_std__vectorTOpenBabel__OBBond_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBBond_t, - _swigc__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBExternalBond_t, _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t, _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t, _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBMol_t, - _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t, - _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBResidue_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBResidue_t, _swigc__p_std__vectorTOpenBabel__OBRing_p_t, @@ -90708,61 +88188,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBBase_BeginData", _wrap_OBBase_BeginData}, {"Chemistry::OpenBabelc::OBBase_EndData", _wrap_OBBase_EndData}, {"Chemistry::OpenBabelc::new_OBBase", _wrap_new_OBBase}, -{"Chemistry::OpenBabelc::OBNodeBase_Visit_set", _wrap_OBNodeBase_Visit_set}, -{"Chemistry::OpenBabelc::OBNodeBase_Visit_get", _wrap_OBNodeBase_Visit_get}, -{"Chemistry::OpenBabelc::new_OBNodeBase", _wrap_new_OBNodeBase}, -{"Chemistry::OpenBabelc::delete_OBNodeBase", _wrap_delete_OBNodeBase}, -{"Chemistry::OpenBabelc::OBNodeBase_GetIdx", _wrap_OBNodeBase_GetIdx}, -{"Chemistry::OpenBabelc::OBNodeBase_SetIdx", _wrap_OBNodeBase_SetIdx}, -{"Chemistry::OpenBabelc::OBNodeBase_GetParent", _wrap_OBNodeBase_GetParent}, -{"Chemistry::OpenBabelc::OBNodeBase_SetParent", _wrap_OBNodeBase_SetParent}, -{"Chemistry::OpenBabelc::OBNodeBase_AddEdge", _wrap_OBNodeBase_AddEdge}, -{"Chemistry::OpenBabelc::OBNodeBase_GetValence", _wrap_OBNodeBase_GetValence}, -{"Chemistry::OpenBabelc::OBNodeBase_IsConnected", _wrap_OBNodeBase_IsConnected}, -{"Chemistry::OpenBabelc::OBNodeBase_Error", _wrap_OBNodeBase_Error}, -{"Chemistry::OpenBabelc::OBNodeBase_GetFormalCharge", _wrap_OBNodeBase_GetFormalCharge}, -{"Chemistry::OpenBabelc::OBNodeBase_ExplicitHydrogenCount", _wrap_OBNodeBase_ExplicitHydrogenCount}, -{"Chemistry::OpenBabelc::OBNodeBase_ImplicitHydrogenCount", _wrap_OBNodeBase_ImplicitHydrogenCount}, -{"Chemistry::OpenBabelc::OBNodeBase_GetImplicitValence", _wrap_OBNodeBase_GetImplicitValence}, -{"Chemistry::OpenBabelc::OBNodeBase_GetHvyValence", _wrap_OBNodeBase_GetHvyValence}, -{"Chemistry::OpenBabelc::OBNodeBase_KBOSum", _wrap_OBNodeBase_KBOSum}, -{"Chemistry::OpenBabelc::OBNodeBase_GetHyb", _wrap_OBNodeBase_GetHyb}, -{"Chemistry::OpenBabelc::OBNodeBase_MemberOfRingCount", _wrap_OBNodeBase_MemberOfRingCount}, -{"Chemistry::OpenBabelc::OBNodeBase_GetAtomicNum", _wrap_OBNodeBase_GetAtomicNum}, -{"Chemistry::OpenBabelc::OBNodeBase_SetMatch", _wrap_OBNodeBase_SetMatch}, -{"Chemistry::OpenBabelc::OBNodeBase_SetAromatic", _wrap_OBNodeBase_SetAromatic}, -{"Chemistry::OpenBabelc::OBNodeBase_IsInRingSize", _wrap_OBNodeBase_IsInRingSize}, -{"Chemistry::OpenBabelc::OBNodeBase_IsAromatic", _wrap_OBNodeBase_IsAromatic}, -{"Chemistry::OpenBabelc::OBNodeBase_IsInRing", _wrap_OBNodeBase_IsInRing}, -{"Chemistry::OpenBabelc::OBNodeBase_Eval", _wrap_OBNodeBase_Eval}, -{"Chemistry::OpenBabelc::OBNodeBase_GetMatch", _wrap_OBNodeBase_GetMatch}, -{"Chemistry::OpenBabelc::OBEdgeBase_Visit_set", _wrap_OBEdgeBase_Visit_set}, -{"Chemistry::OpenBabelc::OBEdgeBase_Visit_get", _wrap_OBEdgeBase_Visit_get}, -{"Chemistry::OpenBabelc::new_OBEdgeBase", _wrap_new_OBEdgeBase}, -{"Chemistry::OpenBabelc::delete_OBEdgeBase", _wrap_delete_OBEdgeBase}, -{"Chemistry::OpenBabelc::OBEdgeBase_GetParent", _wrap_OBEdgeBase_GetParent}, -{"Chemistry::OpenBabelc::OBEdgeBase_SetParent", _wrap_OBEdgeBase_SetParent}, -{"Chemistry::OpenBabelc::OBEdgeBase_GetIdx", _wrap_OBEdgeBase_GetIdx}, -{"Chemistry::OpenBabelc::OBEdgeBase_SetIdx", _wrap_OBEdgeBase_SetIdx}, -{"Chemistry::OpenBabelc::OBEdgeBase_SetBgn", _wrap_OBEdgeBase_SetBgn}, -{"Chemistry::OpenBabelc::OBEdgeBase_SetEnd", _wrap_OBEdgeBase_SetEnd}, -{"Chemistry::OpenBabelc::OBEdgeBase_SwapEnds", _wrap_OBEdgeBase_SwapEnds}, -{"Chemistry::OpenBabelc::OBEdgeBase_GetBgn", _wrap_OBEdgeBase_GetBgn}, -{"Chemistry::OpenBabelc::OBEdgeBase_GetEnd", _wrap_OBEdgeBase_GetEnd}, -{"Chemistry::OpenBabelc::OBEdgeBase_Error", _wrap_OBEdgeBase_Error}, -{"Chemistry::OpenBabelc::OBEdgeBase_SetClosure", _wrap_OBEdgeBase_SetClosure}, -{"Chemistry::OpenBabelc::OBEdgeBase_IsAromatic", _wrap_OBEdgeBase_IsAromatic}, -{"Chemistry::OpenBabelc::OBEdgeBase_IsInRing", _wrap_OBEdgeBase_IsInRing}, -{"Chemistry::OpenBabelc::OBEdgeBase_IsClosure", _wrap_OBEdgeBase_IsClosure}, -{"Chemistry::OpenBabelc::OBEdgeBase_Eval", _wrap_OBEdgeBase_Eval}, -{"Chemistry::OpenBabelc::OBEdgeBase_GetBO", _wrap_OBEdgeBase_GetBO}, -{"Chemistry::OpenBabelc::new_OBGraphBase", _wrap_new_OBGraphBase}, -{"Chemistry::OpenBabelc::delete_OBGraphBase", _wrap_delete_OBGraphBase}, -{"Chemistry::OpenBabelc::OBGraphBase_NumNodes", _wrap_OBGraphBase_NumNodes}, -{"Chemistry::OpenBabelc::OBGraphBase_NumEdges", _wrap_OBGraphBase_NumEdges}, -{"Chemistry::OpenBabelc::OBGraphBase_ResetVisitFlags", _wrap_OBGraphBase_ResetVisitFlags}, -{"Chemistry::OpenBabelc::OBGraphBase_SetVisitLock", _wrap_OBGraphBase_SetVisitLock}, -{"Chemistry::OpenBabelc::OBGraphBase_GetVisitLock", _wrap_OBGraphBase_GetVisitLock}, {"Chemistry::OpenBabelc::new_OBError", _wrap_new_OBError}, {"Chemistry::OpenBabelc::OBError_message", _wrap_OBError_message}, {"Chemistry::OpenBabelc::OBError_GetMethod", _wrap_OBError_GetMethod}, @@ -90890,8 +88315,12 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBResidue_GetResidueProperty", _wrap_OBResidue_GetResidueProperty}, {"Chemistry::OpenBabelc::OBResidue_IsHetAtom", _wrap_OBResidue_IsHetAtom}, {"Chemistry::OpenBabelc::OBResidue_IsResidueType", _wrap_OBResidue_IsResidueType}, +{"Chemistry::OpenBabelc::OBResidue_BeginAtoms", _wrap_OBResidue_BeginAtoms}, +{"Chemistry::OpenBabelc::OBResidue_EndAtoms", _wrap_OBResidue_EndAtoms}, {"Chemistry::OpenBabelc::OBResidue_BeginAtom", _wrap_OBResidue_BeginAtom}, {"Chemistry::OpenBabelc::OBResidue_NextAtom", _wrap_OBResidue_NextAtom}, +{"Chemistry::OpenBabelc::OBAtom_Visit_set", _wrap_OBAtom_Visit_set}, +{"Chemistry::OpenBabelc::OBAtom_Visit_get", _wrap_OBAtom_Visit_get}, {"Chemistry::OpenBabelc::new_OBAtom", _wrap_new_OBAtom}, {"Chemistry::OpenBabelc::delete_OBAtom", _wrap_delete_OBAtom}, {"Chemistry::OpenBabelc::OBAtom_Clear", _wrap_OBAtom_Clear}, @@ -90909,6 +88338,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtom_SetCoordPtr", _wrap_OBAtom_SetCoordPtr}, {"Chemistry::OpenBabelc::OBAtom_SetVector", _wrap_OBAtom_SetVector}, {"Chemistry::OpenBabelc::OBAtom_SetResidue", _wrap_OBAtom_SetResidue}, +{"Chemistry::OpenBabelc::OBAtom_SetParent", _wrap_OBAtom_SetParent}, {"Chemistry::OpenBabelc::OBAtom_SetAromatic", _wrap_OBAtom_SetAromatic}, {"Chemistry::OpenBabelc::OBAtom_UnsetAromatic", _wrap_OBAtom_UnsetAromatic}, {"Chemistry::OpenBabelc::OBAtom_SetClockwiseStereo", _wrap_OBAtom_SetClockwiseStereo}, @@ -90944,6 +88374,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtom_GetVector", _wrap_OBAtom_GetVector}, {"Chemistry::OpenBabelc::OBAtom_GetPartialCharge", _wrap_OBAtom_GetPartialCharge}, {"Chemistry::OpenBabelc::OBAtom_GetResidue", _wrap_OBAtom_GetResidue}, +{"Chemistry::OpenBabelc::OBAtom_GetParent", _wrap_OBAtom_GetParent}, {"Chemistry::OpenBabelc::OBAtom_GetNewBondVector", _wrap_OBAtom_GetNewBondVector}, {"Chemistry::OpenBabelc::OBAtom_GetBond", _wrap_OBAtom_GetBond}, {"Chemistry::OpenBabelc::OBAtom_GetNextAtom", _wrap_OBAtom_GetNextAtom}, @@ -91017,12 +88448,15 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtom_HasDoubleBond", _wrap_OBAtom_HasDoubleBond}, {"Chemistry::OpenBabelc::OBAtom_HasAromaticBond", _wrap_OBAtom_HasAromaticBond}, {"Chemistry::OpenBabelc::OBAtom_MatchesSMARTS", _wrap_OBAtom_MatchesSMARTS}, +{"Chemistry::OpenBabelc::OBBond_Visit_set", _wrap_OBBond_Visit_set}, +{"Chemistry::OpenBabelc::OBBond_Visit_get", _wrap_OBBond_Visit_get}, {"Chemistry::OpenBabelc::new_OBBond", _wrap_new_OBBond}, {"Chemistry::OpenBabelc::delete_OBBond", _wrap_delete_OBBond}, {"Chemistry::OpenBabelc::OBBond_SetIdx", _wrap_OBBond_SetIdx}, {"Chemistry::OpenBabelc::OBBond_SetBO", _wrap_OBBond_SetBO}, {"Chemistry::OpenBabelc::OBBond_SetBegin", _wrap_OBBond_SetBegin}, {"Chemistry::OpenBabelc::OBBond_SetEnd", _wrap_OBBond_SetEnd}, +{"Chemistry::OpenBabelc::OBBond_SetParent", _wrap_OBBond_SetParent}, {"Chemistry::OpenBabelc::OBBond_SetLength", _wrap_OBBond_SetLength}, {"Chemistry::OpenBabelc::OBBond_Set", _wrap_OBBond_Set}, {"Chemistry::OpenBabelc::OBBond_SetKSingle", _wrap_OBBond_SetKSingle}, @@ -91041,6 +88475,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBBond_UnsetDown", _wrap_OBBond_UnsetDown}, {"Chemistry::OpenBabelc::OBBond_UnsetAromatic", _wrap_OBBond_UnsetAromatic}, {"Chemistry::OpenBabelc::OBBond_UnsetKekule", _wrap_OBBond_UnsetKekule}, +{"Chemistry::OpenBabelc::OBBond_GetIdx", _wrap_OBBond_GetIdx}, {"Chemistry::OpenBabelc::OBBond_GetBO", _wrap_OBBond_GetBO}, {"Chemistry::OpenBabelc::OBBond_GetBondOrder", _wrap_OBBond_GetBondOrder}, {"Chemistry::OpenBabelc::OBBond_GetFlags", _wrap_OBBond_GetFlags}, @@ -91049,6 +88484,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBBond_GetBeginAtom", _wrap_OBBond_GetBeginAtom}, {"Chemistry::OpenBabelc::OBBond_GetEndAtom", _wrap_OBBond_GetEndAtom}, {"Chemistry::OpenBabelc::OBBond_GetNbrAtom", _wrap_OBBond_GetNbrAtom}, +{"Chemistry::OpenBabelc::OBBond_GetParent", _wrap_OBBond_GetParent}, {"Chemistry::OpenBabelc::OBBond_GetEquibLength", _wrap_OBBond_GetEquibLength}, {"Chemistry::OpenBabelc::OBBond_GetLength", _wrap_OBBond_GetLength}, {"Chemistry::OpenBabelc::OBBond_GetNbrAtomIdx", _wrap_OBBond_GetNbrAtomIdx}, @@ -91214,6 +88650,12 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMol_BeginConformer", _wrap_OBMol_BeginConformer}, {"Chemistry::OpenBabelc::OBMol_NextConformer", _wrap_OBMol_NextConformer}, {"Chemistry::OpenBabelc::OBMol_GetConformers", _wrap_OBMol_GetConformers}, +{"Chemistry::OpenBabelc::OBMol_BeginAtoms", _wrap_OBMol_BeginAtoms}, +{"Chemistry::OpenBabelc::OBMol_EndAtoms", _wrap_OBMol_EndAtoms}, +{"Chemistry::OpenBabelc::OBMol_BeginBonds", _wrap_OBMol_BeginBonds}, +{"Chemistry::OpenBabelc::OBMol_EndBonds", _wrap_OBMol_EndBonds}, +{"Chemistry::OpenBabelc::OBMol_BeginResidues", _wrap_OBMol_BeginResidues}, +{"Chemistry::OpenBabelc::OBMol_EndResidues", _wrap_OBMol_EndResidues}, {"Chemistry::OpenBabelc::OBMol_BeginAtom", _wrap_OBMol_BeginAtom}, {"Chemistry::OpenBabelc::OBMol_NextAtom", _wrap_OBMol_NextAtom}, {"Chemistry::OpenBabelc::OBMol_BeginBond", _wrap_OBMol_BeginBond}, @@ -91289,6 +88731,8 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomIter_deref", _wrap_OBMolAtomIter_deref}, {"Chemistry::OpenBabelc::OBMolAtomIter___ref__", _wrap_OBMolAtomIter___ref__}, {"Chemistry::OpenBabelc::delete_OBMolAtomIter", _wrap_delete_OBMolAtomIter}, +{"Chemistry::OpenBabelc::OBMolAtomIter_Visit_set", _wrap_OBMolAtomIter_Visit_set}, +{"Chemistry::OpenBabelc::OBMolAtomIter_Visit_get", _wrap_OBMolAtomIter_Visit_get}, {"Chemistry::OpenBabelc::OBMolAtomIter_Clear", _wrap_OBMolAtomIter_Clear}, {"Chemistry::OpenBabelc::OBMolAtomIter_SetIdx", _wrap_OBMolAtomIter_SetIdx}, {"Chemistry::OpenBabelc::OBMolAtomIter_SetHyb", _wrap_OBMolAtomIter_SetHyb}, @@ -91304,6 +88748,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomIter_SetVector", _wrap_OBMolAtomIter_SetVector}, {"Chemistry::OpenBabelc::OBMolAtomIter_SetCoordPtr", _wrap_OBMolAtomIter_SetCoordPtr}, {"Chemistry::OpenBabelc::OBMolAtomIter_SetResidue", _wrap_OBMolAtomIter_SetResidue}, +{"Chemistry::OpenBabelc::OBMolAtomIter_SetParent", _wrap_OBMolAtomIter_SetParent}, {"Chemistry::OpenBabelc::OBMolAtomIter_SetAromatic", _wrap_OBMolAtomIter_SetAromatic}, {"Chemistry::OpenBabelc::OBMolAtomIter_UnsetAromatic", _wrap_OBMolAtomIter_UnsetAromatic}, {"Chemistry::OpenBabelc::OBMolAtomIter_SetClockwiseStereo", _wrap_OBMolAtomIter_SetClockwiseStereo}, @@ -91339,6 +88784,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomIter_GetVector", _wrap_OBMolAtomIter_GetVector}, {"Chemistry::OpenBabelc::OBMolAtomIter_GetPartialCharge", _wrap_OBMolAtomIter_GetPartialCharge}, {"Chemistry::OpenBabelc::OBMolAtomIter_GetResidue", _wrap_OBMolAtomIter_GetResidue}, +{"Chemistry::OpenBabelc::OBMolAtomIter_GetParent", _wrap_OBMolAtomIter_GetParent}, {"Chemistry::OpenBabelc::OBMolAtomIter_GetNewBondVector", _wrap_OBMolAtomIter_GetNewBondVector}, {"Chemistry::OpenBabelc::OBMolAtomIter_GetBond", _wrap_OBMolAtomIter_GetBond}, {"Chemistry::OpenBabelc::OBMolAtomIter_GetNextAtom", _wrap_OBMolAtomIter_GetNextAtom}, @@ -91412,15 +88858,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomIter_HasDoubleBond", _wrap_OBMolAtomIter_HasDoubleBond}, {"Chemistry::OpenBabelc::OBMolAtomIter_HasAromaticBond", _wrap_OBMolAtomIter_HasAromaticBond}, {"Chemistry::OpenBabelc::OBMolAtomIter_MatchesSMARTS", _wrap_OBMolAtomIter_MatchesSMARTS}, -{"Chemistry::OpenBabelc::OBMolAtomIter_Visit_set", _wrap_OBMolAtomIter_Visit_set}, -{"Chemistry::OpenBabelc::OBMolAtomIter_Visit_get", _wrap_OBMolAtomIter_Visit_get}, -{"Chemistry::OpenBabelc::OBMolAtomIter_GetParent", _wrap_OBMolAtomIter_GetParent}, -{"Chemistry::OpenBabelc::OBMolAtomIter_SetParent", _wrap_OBMolAtomIter_SetParent}, -{"Chemistry::OpenBabelc::OBMolAtomIter_AddEdge", _wrap_OBMolAtomIter_AddEdge}, -{"Chemistry::OpenBabelc::OBMolAtomIter_Error", _wrap_OBMolAtomIter_Error}, -{"Chemistry::OpenBabelc::OBMolAtomIter_SetMatch", _wrap_OBMolAtomIter_SetMatch}, -{"Chemistry::OpenBabelc::OBMolAtomIter_Eval", _wrap_OBMolAtomIter_Eval}, -{"Chemistry::OpenBabelc::OBMolAtomIter_GetMatch", _wrap_OBMolAtomIter_GetMatch}, {"Chemistry::OpenBabelc::OBMolAtomIter_DoTransformations", _wrap_OBMolAtomIter_DoTransformations}, {"Chemistry::OpenBabelc::OBMolAtomIter_ClassDescription", _wrap_OBMolAtomIter_ClassDescription}, {"Chemistry::OpenBabelc::OBMolAtomIter_HasData", _wrap_OBMolAtomIter_HasData}, @@ -91435,6 +88872,8 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomDFSIter___deref__", _wrap_OBMolAtomDFSIter___deref__}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter___ref__", _wrap_OBMolAtomDFSIter___ref__}, {"Chemistry::OpenBabelc::delete_OBMolAtomDFSIter", _wrap_delete_OBMolAtomDFSIter}, +{"Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_set", _wrap_OBMolAtomDFSIter_Visit_set}, +{"Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_get", _wrap_OBMolAtomDFSIter_Visit_get}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_Clear", _wrap_OBMolAtomDFSIter_Clear}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetIdx", _wrap_OBMolAtomDFSIter_SetIdx}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetHyb", _wrap_OBMolAtomDFSIter_SetHyb}, @@ -91450,6 +88889,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetVector", _wrap_OBMolAtomDFSIter_SetVector}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetCoordPtr", _wrap_OBMolAtomDFSIter_SetCoordPtr}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetResidue", _wrap_OBMolAtomDFSIter_SetResidue}, +{"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetParent", _wrap_OBMolAtomDFSIter_SetParent}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetAromatic", _wrap_OBMolAtomDFSIter_SetAromatic}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_UnsetAromatic", _wrap_OBMolAtomDFSIter_UnsetAromatic}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetClockwiseStereo", _wrap_OBMolAtomDFSIter_SetClockwiseStereo}, @@ -91485,6 +88925,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetVector", _wrap_OBMolAtomDFSIter_GetVector}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetPartialCharge", _wrap_OBMolAtomDFSIter_GetPartialCharge}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetResidue", _wrap_OBMolAtomDFSIter_GetResidue}, +{"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetParent", _wrap_OBMolAtomDFSIter_GetParent}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetNewBondVector", _wrap_OBMolAtomDFSIter_GetNewBondVector}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetBond", _wrap_OBMolAtomDFSIter_GetBond}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetNextAtom", _wrap_OBMolAtomDFSIter_GetNextAtom}, @@ -91558,15 +88999,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomDFSIter_HasDoubleBond", _wrap_OBMolAtomDFSIter_HasDoubleBond}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_HasAromaticBond", _wrap_OBMolAtomDFSIter_HasAromaticBond}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_MatchesSMARTS", _wrap_OBMolAtomDFSIter_MatchesSMARTS}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_set", _wrap_OBMolAtomDFSIter_Visit_set}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_Visit_get", _wrap_OBMolAtomDFSIter_Visit_get}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetParent", _wrap_OBMolAtomDFSIter_GetParent}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetParent", _wrap_OBMolAtomDFSIter_SetParent}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_AddEdge", _wrap_OBMolAtomDFSIter_AddEdge}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_Error", _wrap_OBMolAtomDFSIter_Error}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_SetMatch", _wrap_OBMolAtomDFSIter_SetMatch}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_Eval", _wrap_OBMolAtomDFSIter_Eval}, -{"Chemistry::OpenBabelc::OBMolAtomDFSIter_GetMatch", _wrap_OBMolAtomDFSIter_GetMatch}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_DoTransformations", _wrap_OBMolAtomDFSIter_DoTransformations}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_ClassDescription", _wrap_OBMolAtomDFSIter_ClassDescription}, {"Chemistry::OpenBabelc::OBMolAtomDFSIter_HasData", _wrap_OBMolAtomDFSIter_HasData}, @@ -91581,6 +89013,8 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomBFSIter___deref__", _wrap_OBMolAtomBFSIter___deref__}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter___ref__", _wrap_OBMolAtomBFSIter___ref__}, {"Chemistry::OpenBabelc::delete_OBMolAtomBFSIter", _wrap_delete_OBMolAtomBFSIter}, +{"Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_set", _wrap_OBMolAtomBFSIter_Visit_set}, +{"Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_get", _wrap_OBMolAtomBFSIter_Visit_get}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_Clear", _wrap_OBMolAtomBFSIter_Clear}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetIdx", _wrap_OBMolAtomBFSIter_SetIdx}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetHyb", _wrap_OBMolAtomBFSIter_SetHyb}, @@ -91596,6 +89030,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetVector", _wrap_OBMolAtomBFSIter_SetVector}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetCoordPtr", _wrap_OBMolAtomBFSIter_SetCoordPtr}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetResidue", _wrap_OBMolAtomBFSIter_SetResidue}, +{"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetParent", _wrap_OBMolAtomBFSIter_SetParent}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetAromatic", _wrap_OBMolAtomBFSIter_SetAromatic}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_UnsetAromatic", _wrap_OBMolAtomBFSIter_UnsetAromatic}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetClockwiseStereo", _wrap_OBMolAtomBFSIter_SetClockwiseStereo}, @@ -91631,6 +89066,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetVector", _wrap_OBMolAtomBFSIter_GetVector}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetPartialCharge", _wrap_OBMolAtomBFSIter_GetPartialCharge}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetResidue", _wrap_OBMolAtomBFSIter_GetResidue}, +{"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetParent", _wrap_OBMolAtomBFSIter_GetParent}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetNewBondVector", _wrap_OBMolAtomBFSIter_GetNewBondVector}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetBond", _wrap_OBMolAtomBFSIter_GetBond}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetNextAtom", _wrap_OBMolAtomBFSIter_GetNextAtom}, @@ -91704,15 +89140,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolAtomBFSIter_HasDoubleBond", _wrap_OBMolAtomBFSIter_HasDoubleBond}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_HasAromaticBond", _wrap_OBMolAtomBFSIter_HasAromaticBond}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_MatchesSMARTS", _wrap_OBMolAtomBFSIter_MatchesSMARTS}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_set", _wrap_OBMolAtomBFSIter_Visit_set}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_Visit_get", _wrap_OBMolAtomBFSIter_Visit_get}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetParent", _wrap_OBMolAtomBFSIter_GetParent}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetParent", _wrap_OBMolAtomBFSIter_SetParent}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_AddEdge", _wrap_OBMolAtomBFSIter_AddEdge}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_Error", _wrap_OBMolAtomBFSIter_Error}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_SetMatch", _wrap_OBMolAtomBFSIter_SetMatch}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_Eval", _wrap_OBMolAtomBFSIter_Eval}, -{"Chemistry::OpenBabelc::OBMolAtomBFSIter_GetMatch", _wrap_OBMolAtomBFSIter_GetMatch}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_DoTransformations", _wrap_OBMolAtomBFSIter_DoTransformations}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_ClassDescription", _wrap_OBMolAtomBFSIter_ClassDescription}, {"Chemistry::OpenBabelc::OBMolAtomBFSIter_HasData", _wrap_OBMolAtomBFSIter_HasData}, @@ -91728,10 +89155,13 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolBondIter_deref", _wrap_OBMolBondIter_deref}, {"Chemistry::OpenBabelc::OBMolBondIter___ref__", _wrap_OBMolBondIter___ref__}, {"Chemistry::OpenBabelc::delete_OBMolBondIter", _wrap_delete_OBMolBondIter}, +{"Chemistry::OpenBabelc::OBMolBondIter_Visit_set", _wrap_OBMolBondIter_Visit_set}, +{"Chemistry::OpenBabelc::OBMolBondIter_Visit_get", _wrap_OBMolBondIter_Visit_get}, {"Chemistry::OpenBabelc::OBMolBondIter_SetIdx", _wrap_OBMolBondIter_SetIdx}, {"Chemistry::OpenBabelc::OBMolBondIter_SetBO", _wrap_OBMolBondIter_SetBO}, {"Chemistry::OpenBabelc::OBMolBondIter_SetBegin", _wrap_OBMolBondIter_SetBegin}, {"Chemistry::OpenBabelc::OBMolBondIter_SetEnd", _wrap_OBMolBondIter_SetEnd}, +{"Chemistry::OpenBabelc::OBMolBondIter_SetParent", _wrap_OBMolBondIter_SetParent}, {"Chemistry::OpenBabelc::OBMolBondIter_SetLength", _wrap_OBMolBondIter_SetLength}, {"Chemistry::OpenBabelc::OBMolBondIter_Set", _wrap_OBMolBondIter_Set}, {"Chemistry::OpenBabelc::OBMolBondIter_SetKSingle", _wrap_OBMolBondIter_SetKSingle}, @@ -91750,6 +89180,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolBondIter_UnsetDown", _wrap_OBMolBondIter_UnsetDown}, {"Chemistry::OpenBabelc::OBMolBondIter_UnsetAromatic", _wrap_OBMolBondIter_UnsetAromatic}, {"Chemistry::OpenBabelc::OBMolBondIter_UnsetKekule", _wrap_OBMolBondIter_UnsetKekule}, +{"Chemistry::OpenBabelc::OBMolBondIter_GetIdx", _wrap_OBMolBondIter_GetIdx}, {"Chemistry::OpenBabelc::OBMolBondIter_GetBO", _wrap_OBMolBondIter_GetBO}, {"Chemistry::OpenBabelc::OBMolBondIter_GetBondOrder", _wrap_OBMolBondIter_GetBondOrder}, {"Chemistry::OpenBabelc::OBMolBondIter_GetFlags", _wrap_OBMolBondIter_GetFlags}, @@ -91758,6 +89189,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolBondIter_GetBeginAtom", _wrap_OBMolBondIter_GetBeginAtom}, {"Chemistry::OpenBabelc::OBMolBondIter_GetEndAtom", _wrap_OBMolBondIter_GetEndAtom}, {"Chemistry::OpenBabelc::OBMolBondIter_GetNbrAtom", _wrap_OBMolBondIter_GetNbrAtom}, +{"Chemistry::OpenBabelc::OBMolBondIter_GetParent", _wrap_OBMolBondIter_GetParent}, {"Chemistry::OpenBabelc::OBMolBondIter_GetEquibLength", _wrap_OBMolBondIter_GetEquibLength}, {"Chemistry::OpenBabelc::OBMolBondIter_GetLength", _wrap_OBMolBondIter_GetLength}, {"Chemistry::OpenBabelc::OBMolBondIter_GetNbrAtomIdx", _wrap_OBMolBondIter_GetNbrAtomIdx}, @@ -91781,17 +89213,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBMolBondIter_IsWedge", _wrap_OBMolBondIter_IsWedge}, {"Chemistry::OpenBabelc::OBMolBondIter_IsHash", _wrap_OBMolBondIter_IsHash}, {"Chemistry::OpenBabelc::OBMolBondIter_IsDoubleBondGeometry", _wrap_OBMolBondIter_IsDoubleBondGeometry}, -{"Chemistry::OpenBabelc::OBMolBondIter_Visit_set", _wrap_OBMolBondIter_Visit_set}, -{"Chemistry::OpenBabelc::OBMolBondIter_Visit_get", _wrap_OBMolBondIter_Visit_get}, -{"Chemistry::OpenBabelc::OBMolBondIter_GetParent", _wrap_OBMolBondIter_GetParent}, -{"Chemistry::OpenBabelc::OBMolBondIter_SetParent", _wrap_OBMolBondIter_SetParent}, -{"Chemistry::OpenBabelc::OBMolBondIter_GetIdx", _wrap_OBMolBondIter_GetIdx}, -{"Chemistry::OpenBabelc::OBMolBondIter_SetBgn", _wrap_OBMolBondIter_SetBgn}, -{"Chemistry::OpenBabelc::OBMolBondIter_SwapEnds", _wrap_OBMolBondIter_SwapEnds}, -{"Chemistry::OpenBabelc::OBMolBondIter_GetBgn", _wrap_OBMolBondIter_GetBgn}, -{"Chemistry::OpenBabelc::OBMolBondIter_GetEnd", _wrap_OBMolBondIter_GetEnd}, -{"Chemistry::OpenBabelc::OBMolBondIter_Error", _wrap_OBMolBondIter_Error}, -{"Chemistry::OpenBabelc::OBMolBondIter_Eval", _wrap_OBMolBondIter_Eval}, {"Chemistry::OpenBabelc::OBMolBondIter_DoTransformations", _wrap_OBMolBondIter_DoTransformations}, {"Chemistry::OpenBabelc::OBMolBondIter_ClassDescription", _wrap_OBMolBondIter_ClassDescription}, {"Chemistry::OpenBabelc::OBMolBondIter_HasData", _wrap_OBMolBondIter_HasData}, @@ -91807,6 +89228,8 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomAtomIter_deref", _wrap_OBAtomAtomIter_deref}, {"Chemistry::OpenBabelc::OBAtomAtomIter___ref__", _wrap_OBAtomAtomIter___ref__}, {"Chemistry::OpenBabelc::delete_OBAtomAtomIter", _wrap_delete_OBAtomAtomIter}, +{"Chemistry::OpenBabelc::OBAtomAtomIter_Visit_set", _wrap_OBAtomAtomIter_Visit_set}, +{"Chemistry::OpenBabelc::OBAtomAtomIter_Visit_get", _wrap_OBAtomAtomIter_Visit_get}, {"Chemistry::OpenBabelc::OBAtomAtomIter_Clear", _wrap_OBAtomAtomIter_Clear}, {"Chemistry::OpenBabelc::OBAtomAtomIter_SetIdx", _wrap_OBAtomAtomIter_SetIdx}, {"Chemistry::OpenBabelc::OBAtomAtomIter_SetHyb", _wrap_OBAtomAtomIter_SetHyb}, @@ -91822,6 +89245,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomAtomIter_SetVector", _wrap_OBAtomAtomIter_SetVector}, {"Chemistry::OpenBabelc::OBAtomAtomIter_SetCoordPtr", _wrap_OBAtomAtomIter_SetCoordPtr}, {"Chemistry::OpenBabelc::OBAtomAtomIter_SetResidue", _wrap_OBAtomAtomIter_SetResidue}, +{"Chemistry::OpenBabelc::OBAtomAtomIter_SetParent", _wrap_OBAtomAtomIter_SetParent}, {"Chemistry::OpenBabelc::OBAtomAtomIter_SetAromatic", _wrap_OBAtomAtomIter_SetAromatic}, {"Chemistry::OpenBabelc::OBAtomAtomIter_UnsetAromatic", _wrap_OBAtomAtomIter_UnsetAromatic}, {"Chemistry::OpenBabelc::OBAtomAtomIter_SetClockwiseStereo", _wrap_OBAtomAtomIter_SetClockwiseStereo}, @@ -91857,6 +89281,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomAtomIter_GetVector", _wrap_OBAtomAtomIter_GetVector}, {"Chemistry::OpenBabelc::OBAtomAtomIter_GetPartialCharge", _wrap_OBAtomAtomIter_GetPartialCharge}, {"Chemistry::OpenBabelc::OBAtomAtomIter_GetResidue", _wrap_OBAtomAtomIter_GetResidue}, +{"Chemistry::OpenBabelc::OBAtomAtomIter_GetParent", _wrap_OBAtomAtomIter_GetParent}, {"Chemistry::OpenBabelc::OBAtomAtomIter_GetNewBondVector", _wrap_OBAtomAtomIter_GetNewBondVector}, {"Chemistry::OpenBabelc::OBAtomAtomIter_GetBond", _wrap_OBAtomAtomIter_GetBond}, {"Chemistry::OpenBabelc::OBAtomAtomIter_GetNextAtom", _wrap_OBAtomAtomIter_GetNextAtom}, @@ -91930,15 +89355,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomAtomIter_HasDoubleBond", _wrap_OBAtomAtomIter_HasDoubleBond}, {"Chemistry::OpenBabelc::OBAtomAtomIter_HasAromaticBond", _wrap_OBAtomAtomIter_HasAromaticBond}, {"Chemistry::OpenBabelc::OBAtomAtomIter_MatchesSMARTS", _wrap_OBAtomAtomIter_MatchesSMARTS}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_Visit_set", _wrap_OBAtomAtomIter_Visit_set}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_Visit_get", _wrap_OBAtomAtomIter_Visit_get}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_GetParent", _wrap_OBAtomAtomIter_GetParent}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_SetParent", _wrap_OBAtomAtomIter_SetParent}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_AddEdge", _wrap_OBAtomAtomIter_AddEdge}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_Error", _wrap_OBAtomAtomIter_Error}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_SetMatch", _wrap_OBAtomAtomIter_SetMatch}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_Eval", _wrap_OBAtomAtomIter_Eval}, -{"Chemistry::OpenBabelc::OBAtomAtomIter_GetMatch", _wrap_OBAtomAtomIter_GetMatch}, {"Chemistry::OpenBabelc::OBAtomAtomIter_DoTransformations", _wrap_OBAtomAtomIter_DoTransformations}, {"Chemistry::OpenBabelc::OBAtomAtomIter_ClassDescription", _wrap_OBAtomAtomIter_ClassDescription}, {"Chemistry::OpenBabelc::OBAtomAtomIter_HasData", _wrap_OBAtomAtomIter_HasData}, @@ -91954,10 +89370,13 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomBondIter_deref", _wrap_OBAtomBondIter_deref}, {"Chemistry::OpenBabelc::OBAtomBondIter___ref__", _wrap_OBAtomBondIter___ref__}, {"Chemistry::OpenBabelc::delete_OBAtomBondIter", _wrap_delete_OBAtomBondIter}, +{"Chemistry::OpenBabelc::OBAtomBondIter_Visit_set", _wrap_OBAtomBondIter_Visit_set}, +{"Chemistry::OpenBabelc::OBAtomBondIter_Visit_get", _wrap_OBAtomBondIter_Visit_get}, {"Chemistry::OpenBabelc::OBAtomBondIter_SetIdx", _wrap_OBAtomBondIter_SetIdx}, {"Chemistry::OpenBabelc::OBAtomBondIter_SetBO", _wrap_OBAtomBondIter_SetBO}, {"Chemistry::OpenBabelc::OBAtomBondIter_SetBegin", _wrap_OBAtomBondIter_SetBegin}, {"Chemistry::OpenBabelc::OBAtomBondIter_SetEnd", _wrap_OBAtomBondIter_SetEnd}, +{"Chemistry::OpenBabelc::OBAtomBondIter_SetParent", _wrap_OBAtomBondIter_SetParent}, {"Chemistry::OpenBabelc::OBAtomBondIter_SetLength", _wrap_OBAtomBondIter_SetLength}, {"Chemistry::OpenBabelc::OBAtomBondIter_Set", _wrap_OBAtomBondIter_Set}, {"Chemistry::OpenBabelc::OBAtomBondIter_SetKSingle", _wrap_OBAtomBondIter_SetKSingle}, @@ -91976,6 +89395,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomBondIter_UnsetDown", _wrap_OBAtomBondIter_UnsetDown}, {"Chemistry::OpenBabelc::OBAtomBondIter_UnsetAromatic", _wrap_OBAtomBondIter_UnsetAromatic}, {"Chemistry::OpenBabelc::OBAtomBondIter_UnsetKekule", _wrap_OBAtomBondIter_UnsetKekule}, +{"Chemistry::OpenBabelc::OBAtomBondIter_GetIdx", _wrap_OBAtomBondIter_GetIdx}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetBO", _wrap_OBAtomBondIter_GetBO}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetBondOrder", _wrap_OBAtomBondIter_GetBondOrder}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetFlags", _wrap_OBAtomBondIter_GetFlags}, @@ -91984,6 +89404,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomBondIter_GetBeginAtom", _wrap_OBAtomBondIter_GetBeginAtom}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetEndAtom", _wrap_OBAtomBondIter_GetEndAtom}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetNbrAtom", _wrap_OBAtomBondIter_GetNbrAtom}, +{"Chemistry::OpenBabelc::OBAtomBondIter_GetParent", _wrap_OBAtomBondIter_GetParent}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetEquibLength", _wrap_OBAtomBondIter_GetEquibLength}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetLength", _wrap_OBAtomBondIter_GetLength}, {"Chemistry::OpenBabelc::OBAtomBondIter_GetNbrAtomIdx", _wrap_OBAtomBondIter_GetNbrAtomIdx}, @@ -92007,17 +89428,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBAtomBondIter_IsWedge", _wrap_OBAtomBondIter_IsWedge}, {"Chemistry::OpenBabelc::OBAtomBondIter_IsHash", _wrap_OBAtomBondIter_IsHash}, {"Chemistry::OpenBabelc::OBAtomBondIter_IsDoubleBondGeometry", _wrap_OBAtomBondIter_IsDoubleBondGeometry}, -{"Chemistry::OpenBabelc::OBAtomBondIter_Visit_set", _wrap_OBAtomBondIter_Visit_set}, -{"Chemistry::OpenBabelc::OBAtomBondIter_Visit_get", _wrap_OBAtomBondIter_Visit_get}, -{"Chemistry::OpenBabelc::OBAtomBondIter_GetParent", _wrap_OBAtomBondIter_GetParent}, -{"Chemistry::OpenBabelc::OBAtomBondIter_SetParent", _wrap_OBAtomBondIter_SetParent}, -{"Chemistry::OpenBabelc::OBAtomBondIter_GetIdx", _wrap_OBAtomBondIter_GetIdx}, -{"Chemistry::OpenBabelc::OBAtomBondIter_SetBgn", _wrap_OBAtomBondIter_SetBgn}, -{"Chemistry::OpenBabelc::OBAtomBondIter_SwapEnds", _wrap_OBAtomBondIter_SwapEnds}, -{"Chemistry::OpenBabelc::OBAtomBondIter_GetBgn", _wrap_OBAtomBondIter_GetBgn}, -{"Chemistry::OpenBabelc::OBAtomBondIter_GetEnd", _wrap_OBAtomBondIter_GetEnd}, -{"Chemistry::OpenBabelc::OBAtomBondIter_Error", _wrap_OBAtomBondIter_Error}, -{"Chemistry::OpenBabelc::OBAtomBondIter_Eval", _wrap_OBAtomBondIter_Eval}, {"Chemistry::OpenBabelc::OBAtomBondIter_DoTransformations", _wrap_OBAtomBondIter_DoTransformations}, {"Chemistry::OpenBabelc::OBAtomBondIter_ClassDescription", _wrap_OBAtomBondIter_ClassDescription}, {"Chemistry::OpenBabelc::OBAtomBondIter_HasData", _wrap_OBAtomBondIter_HasData}, @@ -92061,6 +89471,8 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBResidueIter_GetResidueProperty", _wrap_OBResidueIter_GetResidueProperty}, {"Chemistry::OpenBabelc::OBResidueIter_IsHetAtom", _wrap_OBResidueIter_IsHetAtom}, {"Chemistry::OpenBabelc::OBResidueIter_IsResidueType", _wrap_OBResidueIter_IsResidueType}, +{"Chemistry::OpenBabelc::OBResidueIter_BeginAtoms", _wrap_OBResidueIter_BeginAtoms}, +{"Chemistry::OpenBabelc::OBResidueIter_EndAtoms", _wrap_OBResidueIter_EndAtoms}, {"Chemistry::OpenBabelc::OBResidueIter_BeginAtom", _wrap_OBResidueIter_BeginAtom}, {"Chemistry::OpenBabelc::OBResidueIter_NextAtom", _wrap_OBResidueIter_NextAtom}, {"Chemistry::OpenBabelc::OBResidueIter_DoTransformations", _wrap_OBResidueIter_DoTransformations}, @@ -92078,6 +89490,8 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBResidueAtomIter_deref", _wrap_OBResidueAtomIter_deref}, {"Chemistry::OpenBabelc::OBResidueAtomIter___ref__", _wrap_OBResidueAtomIter___ref__}, {"Chemistry::OpenBabelc::delete_OBResidueAtomIter", _wrap_delete_OBResidueAtomIter}, +{"Chemistry::OpenBabelc::OBResidueAtomIter_Visit_set", _wrap_OBResidueAtomIter_Visit_set}, +{"Chemistry::OpenBabelc::OBResidueAtomIter_Visit_get", _wrap_OBResidueAtomIter_Visit_get}, {"Chemistry::OpenBabelc::OBResidueAtomIter_Clear", _wrap_OBResidueAtomIter_Clear}, {"Chemistry::OpenBabelc::OBResidueAtomIter_SetIdx", _wrap_OBResidueAtomIter_SetIdx}, {"Chemistry::OpenBabelc::OBResidueAtomIter_SetHyb", _wrap_OBResidueAtomIter_SetHyb}, @@ -92093,6 +89507,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBResidueAtomIter_SetVector", _wrap_OBResidueAtomIter_SetVector}, {"Chemistry::OpenBabelc::OBResidueAtomIter_SetCoordPtr", _wrap_OBResidueAtomIter_SetCoordPtr}, {"Chemistry::OpenBabelc::OBResidueAtomIter_SetResidue", _wrap_OBResidueAtomIter_SetResidue}, +{"Chemistry::OpenBabelc::OBResidueAtomIter_SetParent", _wrap_OBResidueAtomIter_SetParent}, {"Chemistry::OpenBabelc::OBResidueAtomIter_SetAromatic", _wrap_OBResidueAtomIter_SetAromatic}, {"Chemistry::OpenBabelc::OBResidueAtomIter_UnsetAromatic", _wrap_OBResidueAtomIter_UnsetAromatic}, {"Chemistry::OpenBabelc::OBResidueAtomIter_SetClockwiseStereo", _wrap_OBResidueAtomIter_SetClockwiseStereo}, @@ -92128,6 +89543,7 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBResidueAtomIter_GetVector", _wrap_OBResidueAtomIter_GetVector}, {"Chemistry::OpenBabelc::OBResidueAtomIter_GetPartialCharge", _wrap_OBResidueAtomIter_GetPartialCharge}, {"Chemistry::OpenBabelc::OBResidueAtomIter_GetResidue", _wrap_OBResidueAtomIter_GetResidue}, +{"Chemistry::OpenBabelc::OBResidueAtomIter_GetParent", _wrap_OBResidueAtomIter_GetParent}, {"Chemistry::OpenBabelc::OBResidueAtomIter_GetNewBondVector", _wrap_OBResidueAtomIter_GetNewBondVector}, {"Chemistry::OpenBabelc::OBResidueAtomIter_GetBond", _wrap_OBResidueAtomIter_GetBond}, {"Chemistry::OpenBabelc::OBResidueAtomIter_GetNextAtom", _wrap_OBResidueAtomIter_GetNextAtom}, @@ -92201,15 +89617,6 @@ static swig_command_info swig_commands[] = { {"Chemistry::OpenBabelc::OBResidueAtomIter_HasDoubleBond", _wrap_OBResidueAtomIter_HasDoubleBond}, {"Chemistry::OpenBabelc::OBResidueAtomIter_HasAromaticBond", _wrap_OBResidueAtomIter_HasAromaticBond}, {"Chemistry::OpenBabelc::OBResidueAtomIter_MatchesSMARTS", _wrap_OBResidueAtomIter_MatchesSMARTS}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_Visit_set", _wrap_OBResidueAtomIter_Visit_set}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_Visit_get", _wrap_OBResidueAtomIter_Visit_get}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_GetParent", _wrap_OBResidueAtomIter_GetParent}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_SetParent", _wrap_OBResidueAtomIter_SetParent}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_AddEdge", _wrap_OBResidueAtomIter_AddEdge}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_Error", _wrap_OBResidueAtomIter_Error}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_SetMatch", _wrap_OBResidueAtomIter_SetMatch}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_Eval", _wrap_OBResidueAtomIter_Eval}, -{"Chemistry::OpenBabelc::OBResidueAtomIter_GetMatch", _wrap_OBResidueAtomIter_GetMatch}, {"Chemistry::OpenBabelc::OBResidueAtomIter_DoTransformations", _wrap_OBResidueAtomIter_DoTransformations}, {"Chemistry::OpenBabelc::OBResidueAtomIter_ClassDescription", _wrap_OBResidueAtomIter_ClassDescription}, {"Chemistry::OpenBabelc::OBResidueAtomIter_HasData", _wrap_OBResidueAtomIter_HasData}, @@ -92617,9 +90024,6 @@ XS(SWIG_init) { SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBChiralData, (void*) "Chemistry::OpenBabel::OBChiralData"); SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBSerialNums, (void*) "Chemistry::OpenBabel::OBSerialNums"); SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBBase, (void*) "Chemistry::OpenBabel::OBBase"); - SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBNodeBase, (void*) "Chemistry::OpenBabel::OBNodeBase"); - SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBEdgeBase, (void*) "Chemistry::OpenBabel::OBEdgeBase"); - SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBGraphBase, (void*) "Chemistry::OpenBabel::OBGraphBase"); /*@SWIG:%set_constant@*/ do { SV *sv = get_sv((char*) SWIG_prefix "obError", TRUE | 0x2); sv_setsv(sv, SWIG_From_int SWIG_PERL_CALL_ARGS_1(static_cast< int >(OpenBabel::obError))); diff --git a/scripts/python/openbabel.py b/scripts/python/openbabel.py index e7bd4df68..052ba1d7c 100644 --- a/scripts/python/openbabel.py +++ b/scripts/python/openbabel.py @@ -1013,83 +1013,6 @@ OBBase_swigregister = _openbabel.OBBase_swigregister OBBase_swigregister(OBBase) OBBase_ClassDescription = _openbabel.OBBase_ClassDescription -class OBNodeBase(OBBase): - thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') - __repr__ = _swig_repr - Visit = _swig_property(_openbabel.OBNodeBase_Visit_get, _openbabel.OBNodeBase_Visit_set) - def __init__(self, *args): - _openbabel.OBNodeBase_swiginit(self,_openbabel.new_OBNodeBase(*args)) - __swig_destroy__ = _openbabel.delete_OBNodeBase - __del__ = lambda self : None; - def GetIdx(*args): return _openbabel.OBNodeBase_GetIdx(*args) - def SetIdx(*args): return _openbabel.OBNodeBase_SetIdx(*args) - def GetParent(*args): return _openbabel.OBNodeBase_GetParent(*args) - def SetParent(*args): return _openbabel.OBNodeBase_SetParent(*args) - def AddEdge(*args): return _openbabel.OBNodeBase_AddEdge(*args) - def GetValence(*args): return _openbabel.OBNodeBase_GetValence(*args) - def IsConnected(*args): return _openbabel.OBNodeBase_IsConnected(*args) - def Error(*args): return _openbabel.OBNodeBase_Error(*args) - def GetFormalCharge(*args): return _openbabel.OBNodeBase_GetFormalCharge(*args) - def ExplicitHydrogenCount(*args): return _openbabel.OBNodeBase_ExplicitHydrogenCount(*args) - def ImplicitHydrogenCount(*args): return _openbabel.OBNodeBase_ImplicitHydrogenCount(*args) - def GetImplicitValence(*args): return _openbabel.OBNodeBase_GetImplicitValence(*args) - def GetHvyValence(*args): return _openbabel.OBNodeBase_GetHvyValence(*args) - def KBOSum(*args): return _openbabel.OBNodeBase_KBOSum(*args) - def GetHyb(*args): return _openbabel.OBNodeBase_GetHyb(*args) - def MemberOfRingCount(*args): return _openbabel.OBNodeBase_MemberOfRingCount(*args) - def GetAtomicNum(*args): return _openbabel.OBNodeBase_GetAtomicNum(*args) - def SetMatch(*args): return _openbabel.OBNodeBase_SetMatch(*args) - def SetAromatic(*args): return _openbabel.OBNodeBase_SetAromatic(*args) - def IsInRingSize(*args): return _openbabel.OBNodeBase_IsInRingSize(*args) - def IsAromatic(*args): return _openbabel.OBNodeBase_IsAromatic(*args) - def IsInRing(*args): return _openbabel.OBNodeBase_IsInRing(*args) - def Eval(*args): return _openbabel.OBNodeBase_Eval(*args) - def GetMatch(*args): return _openbabel.OBNodeBase_GetMatch(*args) -OBNodeBase_swigregister = _openbabel.OBNodeBase_swigregister -OBNodeBase_swigregister(OBNodeBase) - -class OBEdgeBase(OBBase): - thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') - __repr__ = _swig_repr - Visit = _swig_property(_openbabel.OBEdgeBase_Visit_get, _openbabel.OBEdgeBase_Visit_set) - def __init__(self, *args): - _openbabel.OBEdgeBase_swiginit(self,_openbabel.new_OBEdgeBase(*args)) - __swig_destroy__ = _openbabel.delete_OBEdgeBase - __del__ = lambda self : None; - def GetParent(*args): return _openbabel.OBEdgeBase_GetParent(*args) - def SetParent(*args): return _openbabel.OBEdgeBase_SetParent(*args) - def GetIdx(*args): return _openbabel.OBEdgeBase_GetIdx(*args) - def SetIdx(*args): return _openbabel.OBEdgeBase_SetIdx(*args) - def SetBgn(*args): return _openbabel.OBEdgeBase_SetBgn(*args) - def SetEnd(*args): return _openbabel.OBEdgeBase_SetEnd(*args) - def SwapEnds(*args): return _openbabel.OBEdgeBase_SwapEnds(*args) - def GetBgn(*args): return _openbabel.OBEdgeBase_GetBgn(*args) - def GetEnd(*args): return _openbabel.OBEdgeBase_GetEnd(*args) - def Error(*args): return _openbabel.OBEdgeBase_Error(*args) - def SetClosure(*args): return _openbabel.OBEdgeBase_SetClosure(*args) - def IsAromatic(*args): return _openbabel.OBEdgeBase_IsAromatic(*args) - def IsInRing(*args): return _openbabel.OBEdgeBase_IsInRing(*args) - def IsClosure(*args): return _openbabel.OBEdgeBase_IsClosure(*args) - def Eval(*args): return _openbabel.OBEdgeBase_Eval(*args) - def GetBO(*args): return _openbabel.OBEdgeBase_GetBO(*args) -OBEdgeBase_swigregister = _openbabel.OBEdgeBase_swigregister -OBEdgeBase_swigregister(OBEdgeBase) - -class OBGraphBase(OBBase): - thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') - __repr__ = _swig_repr - def __init__(self, *args): - _openbabel.OBGraphBase_swiginit(self,_openbabel.new_OBGraphBase(*args)) - __swig_destroy__ = _openbabel.delete_OBGraphBase - __del__ = lambda self : None; - def NumNodes(*args): return _openbabel.OBGraphBase_NumNodes(*args) - def NumEdges(*args): return _openbabel.OBGraphBase_NumEdges(*args) - def ResetVisitFlags(*args): return _openbabel.OBGraphBase_ResetVisitFlags(*args) - def SetVisitLock(*args): return _openbabel.OBGraphBase_SetVisitLock(*args) - def GetVisitLock(*args): return _openbabel.OBGraphBase_GetVisitLock(*args) -OBGraphBase_swigregister = _openbabel.OBGraphBase_swigregister -OBGraphBase_swigregister(OBGraphBase) - obError = _openbabel.obError obWarning = _openbabel.obWarning obInfo = _openbabel.obInfo @@ -1300,6 +1223,8 @@ class OBResidue(OBBase): def GetResidueProperty(*args): return _openbabel.OBResidue_GetResidueProperty(*args) def IsHetAtom(*args): return _openbabel.OBResidue_IsHetAtom(*args) def IsResidueType(*args): return _openbabel.OBResidue_IsResidueType(*args) + def BeginAtoms(*args): return _openbabel.OBResidue_BeginAtoms(*args) + def EndAtoms(*args): return _openbabel.OBResidue_EndAtoms(*args) def BeginAtom(*args): return _openbabel.OBResidue_BeginAtom(*args) def NextAtom(*args): return _openbabel.OBResidue_NextAtom(*args) OBResidue_swigregister = _openbabel.OBResidue_swigregister @@ -1342,9 +1267,10 @@ OB_CHIRAL_ATOM = _openbabel.OB_CHIRAL_ATOM OB_POS_CHIRAL_ATOM = _openbabel.OB_POS_CHIRAL_ATOM OB_NEG_CHIRAL_ATOM = _openbabel.OB_NEG_CHIRAL_ATOM OB_ATOM_HAS_NO_H = _openbabel.OB_ATOM_HAS_NO_H -class OBAtom(OBNodeBase): +class OBAtom(OBBase): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr + Visit = _swig_property(_openbabel.OBAtom_Visit_get, _openbabel.OBAtom_Visit_set) def __init__(self, *args): _openbabel.OBAtom_swiginit(self,_openbabel.new_OBAtom(*args)) __swig_destroy__ = _openbabel.delete_OBAtom @@ -1364,6 +1290,7 @@ class OBAtom(OBNodeBase): def SetCoordPtr(*args): return _openbabel.OBAtom_SetCoordPtr(*args) def SetVector(*args): return _openbabel.OBAtom_SetVector(*args) def SetResidue(*args): return _openbabel.OBAtom_SetResidue(*args) + def SetParent(*args): return _openbabel.OBAtom_SetParent(*args) def SetAromatic(*args): return _openbabel.OBAtom_SetAromatic(*args) def UnsetAromatic(*args): return _openbabel.OBAtom_UnsetAromatic(*args) def SetClockwiseStereo(*args): return _openbabel.OBAtom_SetClockwiseStereo(*args) @@ -1399,6 +1326,7 @@ class OBAtom(OBNodeBase): def GetVector(*args): return _openbabel.OBAtom_GetVector(*args) def GetPartialCharge(*args): return _openbabel.OBAtom_GetPartialCharge(*args) def GetResidue(*args): return _openbabel.OBAtom_GetResidue(*args) + def GetParent(*args): return _openbabel.OBAtom_GetParent(*args) def GetNewBondVector(*args): return _openbabel.OBAtom_GetNewBondVector(*args) def GetBond(*args): return _openbabel.OBAtom_GetBond(*args) def GetNextAtom(*args): return _openbabel.OBAtom_GetNextAtom(*args) @@ -1570,9 +1498,10 @@ OB_KSINGLE_BOND = _openbabel.OB_KSINGLE_BOND OB_KDOUBLE_BOND = _openbabel.OB_KDOUBLE_BOND OB_KTRIPLE_BOND = _openbabel.OB_KTRIPLE_BOND OB_CLOSURE_BOND = _openbabel.OB_CLOSURE_BOND -class OBBond(OBEdgeBase): +class OBBond(OBBase): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr + Visit = _swig_property(_openbabel.OBBond_Visit_get, _openbabel.OBBond_Visit_set) def __init__(self, *args): _openbabel.OBBond_swiginit(self,_openbabel.new_OBBond(*args)) __swig_destroy__ = _openbabel.delete_OBBond @@ -1581,6 +1510,7 @@ class OBBond(OBEdgeBase): def SetBO(*args): return _openbabel.OBBond_SetBO(*args) def SetBegin(*args): return _openbabel.OBBond_SetBegin(*args) def SetEnd(*args): return _openbabel.OBBond_SetEnd(*args) + def SetParent(*args): return _openbabel.OBBond_SetParent(*args) def SetLength(*args): return _openbabel.OBBond_SetLength(*args) def Set(*args): return _openbabel.OBBond_Set(*args) def SetKSingle(*args): return _openbabel.OBBond_SetKSingle(*args) @@ -1599,6 +1529,7 @@ class OBBond(OBEdgeBase): def UnsetDown(*args): return _openbabel.OBBond_UnsetDown(*args) def UnsetAromatic(*args): return _openbabel.OBBond_UnsetAromatic(*args) def UnsetKekule(*args): return _openbabel.OBBond_UnsetKekule(*args) + def GetIdx(*args): return _openbabel.OBBond_GetIdx(*args) def GetBO(*args): return _openbabel.OBBond_GetBO(*args) def GetBondOrder(*args): return _openbabel.OBBond_GetBondOrder(*args) def GetFlags(*args): return _openbabel.OBBond_GetFlags(*args) @@ -1607,6 +1538,7 @@ class OBBond(OBEdgeBase): def GetBeginAtom(*args): return _openbabel.OBBond_GetBeginAtom(*args) def GetEndAtom(*args): return _openbabel.OBBond_GetEndAtom(*args) def GetNbrAtom(*args): return _openbabel.OBBond_GetNbrAtom(*args) + def GetParent(*args): return _openbabel.OBBond_GetParent(*args) def GetEquibLength(*args): return _openbabel.OBBond_GetEquibLength(*args) def GetLength(*args): return _openbabel.OBBond_GetLength(*args) def GetNbrAtomIdx(*args): return _openbabel.OBBond_GetNbrAtomIdx(*args) @@ -1650,7 +1582,7 @@ OB_CHAINS_MOL = _openbabel.OB_CHAINS_MOL OB_TCHARGE_MOL = _openbabel.OB_TCHARGE_MOL OB_TSPIN_MOL = _openbabel.OB_TSPIN_MOL OB_CURRENT_CONFORMER = _openbabel.OB_CURRENT_CONFORMER -class OBMol(OBGraphBase): +class OBMol(OBBase): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __init__(self, *args): @@ -1798,6 +1730,12 @@ class OBMol(OBGraphBase): def BeginConformer(*args): return _openbabel.OBMol_BeginConformer(*args) def NextConformer(*args): return _openbabel.OBMol_NextConformer(*args) def GetConformers(*args): return _openbabel.OBMol_GetConformers(*args) + def BeginAtoms(*args): return _openbabel.OBMol_BeginAtoms(*args) + def EndAtoms(*args): return _openbabel.OBMol_EndAtoms(*args) + def BeginBonds(*args): return _openbabel.OBMol_BeginBonds(*args) + def EndBonds(*args): return _openbabel.OBMol_EndBonds(*args) + def BeginResidues(*args): return _openbabel.OBMol_BeginResidues(*args) + def EndResidues(*args): return _openbabel.OBMol_EndResidues(*args) def BeginAtom(*args): return _openbabel.OBMol_BeginAtom(*args) def NextAtom(*args): return _openbabel.OBMol_NextAtom(*args) def BeginBond(*args): return _openbabel.OBMol_BeginBond(*args) @@ -1921,6 +1859,7 @@ class OBMolAtomIter(object): def __ref__(*args): return _openbabel.OBMolAtomIter___ref__(*args) __swig_destroy__ = _openbabel.delete_OBMolAtomIter __del__ = lambda self : None; + Visit = _swig_property(_openbabel.OBMolAtomIter_Visit_get, _openbabel.OBMolAtomIter_Visit_set) def Clear(*args): return _openbabel.OBMolAtomIter_Clear(*args) def SetIdx(*args): return _openbabel.OBMolAtomIter_SetIdx(*args) def SetHyb(*args): return _openbabel.OBMolAtomIter_SetHyb(*args) @@ -1936,6 +1875,7 @@ class OBMolAtomIter(object): def SetVector(*args): return _openbabel.OBMolAtomIter_SetVector(*args) def SetCoordPtr(*args): return _openbabel.OBMolAtomIter_SetCoordPtr(*args) def SetResidue(*args): return _openbabel.OBMolAtomIter_SetResidue(*args) + def SetParent(*args): return _openbabel.OBMolAtomIter_SetParent(*args) def SetAromatic(*args): return _openbabel.OBMolAtomIter_SetAromatic(*args) def UnsetAromatic(*args): return _openbabel.OBMolAtomIter_UnsetAromatic(*args) def SetClockwiseStereo(*args): return _openbabel.OBMolAtomIter_SetClockwiseStereo(*args) @@ -1971,6 +1911,7 @@ class OBMolAtomIter(object): def GetVector(*args): return _openbabel.OBMolAtomIter_GetVector(*args) def GetPartialCharge(*args): return _openbabel.OBMolAtomIter_GetPartialCharge(*args) def GetResidue(*args): return _openbabel.OBMolAtomIter_GetResidue(*args) + def GetParent(*args): return _openbabel.OBMolAtomIter_GetParent(*args) def GetNewBondVector(*args): return _openbabel.OBMolAtomIter_GetNewBondVector(*args) def GetBond(*args): return _openbabel.OBMolAtomIter_GetBond(*args) def GetNextAtom(*args): return _openbabel.OBMolAtomIter_GetNextAtom(*args) @@ -2044,14 +1985,6 @@ class OBMolAtomIter(object): def HasDoubleBond(*args): return _openbabel.OBMolAtomIter_HasDoubleBond(*args) def HasAromaticBond(*args): return _openbabel.OBMolAtomIter_HasAromaticBond(*args) def MatchesSMARTS(*args): return _openbabel.OBMolAtomIter_MatchesSMARTS(*args) - Visit = _swig_property(_openbabel.OBMolAtomIter_Visit_get, _openbabel.OBMolAtomIter_Visit_set) - def GetParent(*args): return _openbabel.OBMolAtomIter_GetParent(*args) - def SetParent(*args): return _openbabel.OBMolAtomIter_SetParent(*args) - def AddEdge(*args): return _openbabel.OBMolAtomIter_AddEdge(*args) - def Error(*args): return _openbabel.OBMolAtomIter_Error(*args) - def SetMatch(*args): return _openbabel.OBMolAtomIter_SetMatch(*args) - def Eval(*args): return _openbabel.OBMolAtomIter_Eval(*args) - def GetMatch(*args): return _openbabel.OBMolAtomIter_GetMatch(*args) def DoTransformations(*args): return _openbabel.OBMolAtomIter_DoTransformations(*args) def ClassDescription(*args): return _openbabel.OBMolAtomIter_ClassDescription(*args) def HasData(*args): return _openbabel.OBMolAtomIter_HasData(*args) @@ -2073,6 +2006,7 @@ class OBMolAtomDFSIter(object): def __ref__(*args): return _openbabel.OBMolAtomDFSIter___ref__(*args) __swig_destroy__ = _openbabel.delete_OBMolAtomDFSIter __del__ = lambda self : None; + Visit = _swig_property(_openbabel.OBMolAtomDFSIter_Visit_get, _openbabel.OBMolAtomDFSIter_Visit_set) def Clear(*args): return _openbabel.OBMolAtomDFSIter_Clear(*args) def SetIdx(*args): return _openbabel.OBMolAtomDFSIter_SetIdx(*args) def SetHyb(*args): return _openbabel.OBMolAtomDFSIter_SetHyb(*args) @@ -2088,6 +2022,7 @@ class OBMolAtomDFSIter(object): def SetVector(*args): return _openbabel.OBMolAtomDFSIter_SetVector(*args) def SetCoordPtr(*args): return _openbabel.OBMolAtomDFSIter_SetCoordPtr(*args) def SetResidue(*args): return _openbabel.OBMolAtomDFSIter_SetResidue(*args) + def SetParent(*args): return _openbabel.OBMolAtomDFSIter_SetParent(*args) def SetAromatic(*args): return _openbabel.OBMolAtomDFSIter_SetAromatic(*args) def UnsetAromatic(*args): return _openbabel.OBMolAtomDFSIter_UnsetAromatic(*args) def SetClockwiseStereo(*args): return _openbabel.OBMolAtomDFSIter_SetClockwiseStereo(*args) @@ -2123,6 +2058,7 @@ class OBMolAtomDFSIter(object): def GetVector(*args): return _openbabel.OBMolAtomDFSIter_GetVector(*args) def GetPartialCharge(*args): return _openbabel.OBMolAtomDFSIter_GetPartialCharge(*args) def GetResidue(*args): return _openbabel.OBMolAtomDFSIter_GetResidue(*args) + def GetParent(*args): return _openbabel.OBMolAtomDFSIter_GetParent(*args) def GetNewBondVector(*args): return _openbabel.OBMolAtomDFSIter_GetNewBondVector(*args) def GetBond(*args): return _openbabel.OBMolAtomDFSIter_GetBond(*args) def GetNextAtom(*args): return _openbabel.OBMolAtomDFSIter_GetNextAtom(*args) @@ -2196,14 +2132,6 @@ class OBMolAtomDFSIter(object): def HasDoubleBond(*args): return _openbabel.OBMolAtomDFSIter_HasDoubleBond(*args) def HasAromaticBond(*args): return _openbabel.OBMolAtomDFSIter_HasAromaticBond(*args) def MatchesSMARTS(*args): return _openbabel.OBMolAtomDFSIter_MatchesSMARTS(*args) - Visit = _swig_property(_openbabel.OBMolAtomDFSIter_Visit_get, _openbabel.OBMolAtomDFSIter_Visit_set) - def GetParent(*args): return _openbabel.OBMolAtomDFSIter_GetParent(*args) - def SetParent(*args): return _openbabel.OBMolAtomDFSIter_SetParent(*args) - def AddEdge(*args): return _openbabel.OBMolAtomDFSIter_AddEdge(*args) - def Error(*args): return _openbabel.OBMolAtomDFSIter_Error(*args) - def SetMatch(*args): return _openbabel.OBMolAtomDFSIter_SetMatch(*args) - def Eval(*args): return _openbabel.OBMolAtomDFSIter_Eval(*args) - def GetMatch(*args): return _openbabel.OBMolAtomDFSIter_GetMatch(*args) def DoTransformations(*args): return _openbabel.OBMolAtomDFSIter_DoTransformations(*args) def ClassDescription(*args): return _openbabel.OBMolAtomDFSIter_ClassDescription(*args) def HasData(*args): return _openbabel.OBMolAtomDFSIter_HasData(*args) @@ -2225,6 +2153,7 @@ class OBMolAtomBFSIter(object): def __ref__(*args): return _openbabel.OBMolAtomBFSIter___ref__(*args) __swig_destroy__ = _openbabel.delete_OBMolAtomBFSIter __del__ = lambda self : None; + Visit = _swig_property(_openbabel.OBMolAtomBFSIter_Visit_get, _openbabel.OBMolAtomBFSIter_Visit_set) def Clear(*args): return _openbabel.OBMolAtomBFSIter_Clear(*args) def SetIdx(*args): return _openbabel.OBMolAtomBFSIter_SetIdx(*args) def SetHyb(*args): return _openbabel.OBMolAtomBFSIter_SetHyb(*args) @@ -2240,6 +2169,7 @@ class OBMolAtomBFSIter(object): def SetVector(*args): return _openbabel.OBMolAtomBFSIter_SetVector(*args) def SetCoordPtr(*args): return _openbabel.OBMolAtomBFSIter_SetCoordPtr(*args) def SetResidue(*args): return _openbabel.OBMolAtomBFSIter_SetResidue(*args) + def SetParent(*args): return _openbabel.OBMolAtomBFSIter_SetParent(*args) def SetAromatic(*args): return _openbabel.OBMolAtomBFSIter_SetAromatic(*args) def UnsetAromatic(*args): return _openbabel.OBMolAtomBFSIter_UnsetAromatic(*args) def SetClockwiseStereo(*args): return _openbabel.OBMolAtomBFSIter_SetClockwiseStereo(*args) @@ -2275,6 +2205,7 @@ class OBMolAtomBFSIter(object): def GetVector(*args): return _openbabel.OBMolAtomBFSIter_GetVector(*args) def GetPartialCharge(*args): return _openbabel.OBMolAtomBFSIter_GetPartialCharge(*args) def GetResidue(*args): return _openbabel.OBMolAtomBFSIter_GetResidue(*args) + def GetParent(*args): return _openbabel.OBMolAtomBFSIter_GetParent(*args) def GetNewBondVector(*args): return _openbabel.OBMolAtomBFSIter_GetNewBondVector(*args) def GetBond(*args): return _openbabel.OBMolAtomBFSIter_GetBond(*args) def GetNextAtom(*args): return _openbabel.OBMolAtomBFSIter_GetNextAtom(*args) @@ -2348,14 +2279,6 @@ class OBMolAtomBFSIter(object): def HasDoubleBond(*args): return _openbabel.OBMolAtomBFSIter_HasDoubleBond(*args) def HasAromaticBond(*args): return _openbabel.OBMolAtomBFSIter_HasAromaticBond(*args) def MatchesSMARTS(*args): return _openbabel.OBMolAtomBFSIter_MatchesSMARTS(*args) - Visit = _swig_property(_openbabel.OBMolAtomBFSIter_Visit_get, _openbabel.OBMolAtomBFSIter_Visit_set) - def GetParent(*args): return _openbabel.OBMolAtomBFSIter_GetParent(*args) - def SetParent(*args): return _openbabel.OBMolAtomBFSIter_SetParent(*args) - def AddEdge(*args): return _openbabel.OBMolAtomBFSIter_AddEdge(*args) - def Error(*args): return _openbabel.OBMolAtomBFSIter_Error(*args) - def SetMatch(*args): return _openbabel.OBMolAtomBFSIter_SetMatch(*args) - def Eval(*args): return _openbabel.OBMolAtomBFSIter_Eval(*args) - def GetMatch(*args): return _openbabel.OBMolAtomBFSIter_GetMatch(*args) def DoTransformations(*args): return _openbabel.OBMolAtomBFSIter_DoTransformations(*args) def ClassDescription(*args): return _openbabel.OBMolAtomBFSIter_ClassDescription(*args) def HasData(*args): return _openbabel.OBMolAtomBFSIter_HasData(*args) @@ -2379,10 +2302,12 @@ class OBMolBondIter(object): def __ref__(*args): return _openbabel.OBMolBondIter___ref__(*args) __swig_destroy__ = _openbabel.delete_OBMolBondIter __del__ = lambda self : None; + Visit = _swig_property(_openbabel.OBMolBondIter_Visit_get, _openbabel.OBMolBondIter_Visit_set) def SetIdx(*args): return _openbabel.OBMolBondIter_SetIdx(*args) def SetBO(*args): return _openbabel.OBMolBondIter_SetBO(*args) def SetBegin(*args): return _openbabel.OBMolBondIter_SetBegin(*args) def SetEnd(*args): return _openbabel.OBMolBondIter_SetEnd(*args) + def SetParent(*args): return _openbabel.OBMolBondIter_SetParent(*args) def SetLength(*args): return _openbabel.OBMolBondIter_SetLength(*args) def Set(*args): return _openbabel.OBMolBondIter_Set(*args) def SetKSingle(*args): return _openbabel.OBMolBondIter_SetKSingle(*args) @@ -2401,6 +2326,7 @@ class OBMolBondIter(object): def UnsetDown(*args): return _openbabel.OBMolBondIter_UnsetDown(*args) def UnsetAromatic(*args): return _openbabel.OBMolBondIter_UnsetAromatic(*args) def UnsetKekule(*args): return _openbabel.OBMolBondIter_UnsetKekule(*args) + def GetIdx(*args): return _openbabel.OBMolBondIter_GetIdx(*args) def GetBO(*args): return _openbabel.OBMolBondIter_GetBO(*args) def GetBondOrder(*args): return _openbabel.OBMolBondIter_GetBondOrder(*args) def GetFlags(*args): return _openbabel.OBMolBondIter_GetFlags(*args) @@ -2409,6 +2335,7 @@ class OBMolBondIter(object): def GetBeginAtom(*args): return _openbabel.OBMolBondIter_GetBeginAtom(*args) def GetEndAtom(*args): return _openbabel.OBMolBondIter_GetEndAtom(*args) def GetNbrAtom(*args): return _openbabel.OBMolBondIter_GetNbrAtom(*args) + def GetParent(*args): return _openbabel.OBMolBondIter_GetParent(*args) def GetEquibLength(*args): return _openbabel.OBMolBondIter_GetEquibLength(*args) def GetLength(*args): return _openbabel.OBMolBondIter_GetLength(*args) def GetNbrAtomIdx(*args): return _openbabel.OBMolBondIter_GetNbrAtomIdx(*args) @@ -2432,16 +2359,6 @@ class OBMolBondIter(object): def IsWedge(*args): return _openbabel.OBMolBondIter_IsWedge(*args) def IsHash(*args): return _openbabel.OBMolBondIter_IsHash(*args) def IsDoubleBondGeometry(*args): return _openbabel.OBMolBondIter_IsDoubleBondGeometry(*args) - Visit = _swig_property(_openbabel.OBMolBondIter_Visit_get, _openbabel.OBMolBondIter_Visit_set) - def GetParent(*args): return _openbabel.OBMolBondIter_GetParent(*args) - def SetParent(*args): return _openbabel.OBMolBondIter_SetParent(*args) - def GetIdx(*args): return _openbabel.OBMolBondIter_GetIdx(*args) - def SetBgn(*args): return _openbabel.OBMolBondIter_SetBgn(*args) - def SwapEnds(*args): return _openbabel.OBMolBondIter_SwapEnds(*args) - def GetBgn(*args): return _openbabel.OBMolBondIter_GetBgn(*args) - def GetEnd(*args): return _openbabel.OBMolBondIter_GetEnd(*args) - def Error(*args): return _openbabel.OBMolBondIter_Error(*args) - def Eval(*args): return _openbabel.OBMolBondIter_Eval(*args) def DoTransformations(*args): return _openbabel.OBMolBondIter_DoTransformations(*args) def ClassDescription(*args): return _openbabel.OBMolBondIter_ClassDescription(*args) def HasData(*args): return _openbabel.OBMolBondIter_HasData(*args) @@ -2465,6 +2382,7 @@ class OBAtomAtomIter(object): def __ref__(*args): return _openbabel.OBAtomAtomIter___ref__(*args) __swig_destroy__ = _openbabel.delete_OBAtomAtomIter __del__ = lambda self : None; + Visit = _swig_property(_openbabel.OBAtomAtomIter_Visit_get, _openbabel.OBAtomAtomIter_Visit_set) def Clear(*args): return _openbabel.OBAtomAtomIter_Clear(*args) def SetIdx(*args): return _openbabel.OBAtomAtomIter_SetIdx(*args) def SetHyb(*args): return _openbabel.OBAtomAtomIter_SetHyb(*args) @@ -2480,6 +2398,7 @@ class OBAtomAtomIter(object): def SetVector(*args): return _openbabel.OBAtomAtomIter_SetVector(*args) def SetCoordPtr(*args): return _openbabel.OBAtomAtomIter_SetCoordPtr(*args) def SetResidue(*args): return _openbabel.OBAtomAtomIter_SetResidue(*args) + def SetParent(*args): return _openbabel.OBAtomAtomIter_SetParent(*args) def SetAromatic(*args): return _openbabel.OBAtomAtomIter_SetAromatic(*args) def UnsetAromatic(*args): return _openbabel.OBAtomAtomIter_UnsetAromatic(*args) def SetClockwiseStereo(*args): return _openbabel.OBAtomAtomIter_SetClockwiseStereo(*args) @@ -2515,6 +2434,7 @@ class OBAtomAtomIter(object): def GetVector(*args): return _openbabel.OBAtomAtomIter_GetVector(*args) def GetPartialCharge(*args): return _openbabel.OBAtomAtomIter_GetPartialCharge(*args) def GetResidue(*args): return _openbabel.OBAtomAtomIter_GetResidue(*args) + def GetParent(*args): return _openbabel.OBAtomAtomIter_GetParent(*args) def GetNewBondVector(*args): return _openbabel.OBAtomAtomIter_GetNewBondVector(*args) def GetBond(*args): return _openbabel.OBAtomAtomIter_GetBond(*args) def GetNextAtom(*args): return _openbabel.OBAtomAtomIter_GetNextAtom(*args) @@ -2588,14 +2508,6 @@ class OBAtomAtomIter(object): def HasDoubleBond(*args): return _openbabel.OBAtomAtomIter_HasDoubleBond(*args) def HasAromaticBond(*args): return _openbabel.OBAtomAtomIter_HasAromaticBond(*args) def MatchesSMARTS(*args): return _openbabel.OBAtomAtomIter_MatchesSMARTS(*args) - Visit = _swig_property(_openbabel.OBAtomAtomIter_Visit_get, _openbabel.OBAtomAtomIter_Visit_set) - def GetParent(*args): return _openbabel.OBAtomAtomIter_GetParent(*args) - def SetParent(*args): return _openbabel.OBAtomAtomIter_SetParent(*args) - def AddEdge(*args): return _openbabel.OBAtomAtomIter_AddEdge(*args) - def Error(*args): return _openbabel.OBAtomAtomIter_Error(*args) - def SetMatch(*args): return _openbabel.OBAtomAtomIter_SetMatch(*args) - def Eval(*args): return _openbabel.OBAtomAtomIter_Eval(*args) - def GetMatch(*args): return _openbabel.OBAtomAtomIter_GetMatch(*args) def DoTransformations(*args): return _openbabel.OBAtomAtomIter_DoTransformations(*args) def ClassDescription(*args): return _openbabel.OBAtomAtomIter_ClassDescription(*args) def HasData(*args): return _openbabel.OBAtomAtomIter_HasData(*args) @@ -2619,10 +2531,12 @@ class OBAtomBondIter(object): def __ref__(*args): return _openbabel.OBAtomBondIter___ref__(*args) __swig_destroy__ = _openbabel.delete_OBAtomBondIter __del__ = lambda self : None; + Visit = _swig_property(_openbabel.OBAtomBondIter_Visit_get, _openbabel.OBAtomBondIter_Visit_set) def SetIdx(*args): return _openbabel.OBAtomBondIter_SetIdx(*args) def SetBO(*args): return _openbabel.OBAtomBondIter_SetBO(*args) def SetBegin(*args): return _openbabel.OBAtomBondIter_SetBegin(*args) def SetEnd(*args): return _openbabel.OBAtomBondIter_SetEnd(*args) + def SetParent(*args): return _openbabel.OBAtomBondIter_SetParent(*args) def SetLength(*args): return _openbabel.OBAtomBondIter_SetLength(*args) def Set(*args): return _openbabel.OBAtomBondIter_Set(*args) def SetKSingle(*args): return _openbabel.OBAtomBondIter_SetKSingle(*args) @@ -2641,6 +2555,7 @@ class OBAtomBondIter(object): def UnsetDown(*args): return _openbabel.OBAtomBondIter_UnsetDown(*args) def UnsetAromatic(*args): return _openbabel.OBAtomBondIter_UnsetAromatic(*args) def UnsetKekule(*args): return _openbabel.OBAtomBondIter_UnsetKekule(*args) + def GetIdx(*args): return _openbabel.OBAtomBondIter_GetIdx(*args) def GetBO(*args): return _openbabel.OBAtomBondIter_GetBO(*args) def GetBondOrder(*args): return _openbabel.OBAtomBondIter_GetBondOrder(*args) def GetFlags(*args): return _openbabel.OBAtomBondIter_GetFlags(*args) @@ -2649,6 +2564,7 @@ class OBAtomBondIter(object): def GetBeginAtom(*args): return _openbabel.OBAtomBondIter_GetBeginAtom(*args) def GetEndAtom(*args): return _openbabel.OBAtomBondIter_GetEndAtom(*args) def GetNbrAtom(*args): return _openbabel.OBAtomBondIter_GetNbrAtom(*args) + def GetParent(*args): return _openbabel.OBAtomBondIter_GetParent(*args) def GetEquibLength(*args): return _openbabel.OBAtomBondIter_GetEquibLength(*args) def GetLength(*args): return _openbabel.OBAtomBondIter_GetLength(*args) def GetNbrAtomIdx(*args): return _openbabel.OBAtomBondIter_GetNbrAtomIdx(*args) @@ -2672,16 +2588,6 @@ class OBAtomBondIter(object): def IsWedge(*args): return _openbabel.OBAtomBondIter_IsWedge(*args) def IsHash(*args): return _openbabel.OBAtomBondIter_IsHash(*args) def IsDoubleBondGeometry(*args): return _openbabel.OBAtomBondIter_IsDoubleBondGeometry(*args) - Visit = _swig_property(_openbabel.OBAtomBondIter_Visit_get, _openbabel.OBAtomBondIter_Visit_set) - def GetParent(*args): return _openbabel.OBAtomBondIter_GetParent(*args) - def SetParent(*args): return _openbabel.OBAtomBondIter_SetParent(*args) - def GetIdx(*args): return _openbabel.OBAtomBondIter_GetIdx(*args) - def SetBgn(*args): return _openbabel.OBAtomBondIter_SetBgn(*args) - def SwapEnds(*args): return _openbabel.OBAtomBondIter_SwapEnds(*args) - def GetBgn(*args): return _openbabel.OBAtomBondIter_GetBgn(*args) - def GetEnd(*args): return _openbabel.OBAtomBondIter_GetEnd(*args) - def Error(*args): return _openbabel.OBAtomBondIter_Error(*args) - def Eval(*args): return _openbabel.OBAtomBondIter_Eval(*args) def DoTransformations(*args): return _openbabel.OBAtomBondIter_DoTransformations(*args) def ClassDescription(*args): return _openbabel.OBAtomBondIter_ClassDescription(*args) def HasData(*args): return _openbabel.OBAtomBondIter_HasData(*args) @@ -2733,6 +2639,8 @@ class OBResidueIter(object): def GetResidueProperty(*args): return _openbabel.OBResidueIter_GetResidueProperty(*args) def IsHetAtom(*args): return _openbabel.OBResidueIter_IsHetAtom(*args) def IsResidueType(*args): return _openbabel.OBResidueIter_IsResidueType(*args) + def BeginAtoms(*args): return _openbabel.OBResidueIter_BeginAtoms(*args) + def EndAtoms(*args): return _openbabel.OBResidueIter_EndAtoms(*args) def BeginAtom(*args): return _openbabel.OBResidueIter_BeginAtom(*args) def NextAtom(*args): return _openbabel.OBResidueIter_NextAtom(*args) def DoTransformations(*args): return _openbabel.OBResidueIter_DoTransformations(*args) @@ -2758,6 +2666,7 @@ class OBResidueAtomIter(object): def __ref__(*args): return _openbabel.OBResidueAtomIter___ref__(*args) __swig_destroy__ = _openbabel.delete_OBResidueAtomIter __del__ = lambda self : None; + Visit = _swig_property(_openbabel.OBResidueAtomIter_Visit_get, _openbabel.OBResidueAtomIter_Visit_set) def Clear(*args): return _openbabel.OBResidueAtomIter_Clear(*args) def SetIdx(*args): return _openbabel.OBResidueAtomIter_SetIdx(*args) def SetHyb(*args): return _openbabel.OBResidueAtomIter_SetHyb(*args) @@ -2773,6 +2682,7 @@ class OBResidueAtomIter(object): def SetVector(*args): return _openbabel.OBResidueAtomIter_SetVector(*args) def SetCoordPtr(*args): return _openbabel.OBResidueAtomIter_SetCoordPtr(*args) def SetResidue(*args): return _openbabel.OBResidueAtomIter_SetResidue(*args) + def SetParent(*args): return _openbabel.OBResidueAtomIter_SetParent(*args) def SetAromatic(*args): return _openbabel.OBResidueAtomIter_SetAromatic(*args) def UnsetAromatic(*args): return _openbabel.OBResidueAtomIter_UnsetAromatic(*args) def SetClockwiseStereo(*args): return _openbabel.OBResidueAtomIter_SetClockwiseStereo(*args) @@ -2808,6 +2718,7 @@ class OBResidueAtomIter(object): def GetVector(*args): return _openbabel.OBResidueAtomIter_GetVector(*args) def GetPartialCharge(*args): return _openbabel.OBResidueAtomIter_GetPartialCharge(*args) def GetResidue(*args): return _openbabel.OBResidueAtomIter_GetResidue(*args) + def GetParent(*args): return _openbabel.OBResidueAtomIter_GetParent(*args) def GetNewBondVector(*args): return _openbabel.OBResidueAtomIter_GetNewBondVector(*args) def GetBond(*args): return _openbabel.OBResidueAtomIter_GetBond(*args) def GetNextAtom(*args): return _openbabel.OBResidueAtomIter_GetNextAtom(*args) @@ -2881,14 +2792,6 @@ class OBResidueAtomIter(object): def HasDoubleBond(*args): return _openbabel.OBResidueAtomIter_HasDoubleBond(*args) def HasAromaticBond(*args): return _openbabel.OBResidueAtomIter_HasAromaticBond(*args) def MatchesSMARTS(*args): return _openbabel.OBResidueAtomIter_MatchesSMARTS(*args) - Visit = _swig_property(_openbabel.OBResidueAtomIter_Visit_get, _openbabel.OBResidueAtomIter_Visit_set) - def GetParent(*args): return _openbabel.OBResidueAtomIter_GetParent(*args) - def SetParent(*args): return _openbabel.OBResidueAtomIter_SetParent(*args) - def AddEdge(*args): return _openbabel.OBResidueAtomIter_AddEdge(*args) - def Error(*args): return _openbabel.OBResidueAtomIter_Error(*args) - def SetMatch(*args): return _openbabel.OBResidueAtomIter_SetMatch(*args) - def Eval(*args): return _openbabel.OBResidueAtomIter_Eval(*args) - def GetMatch(*args): return _openbabel.OBResidueAtomIter_GetMatch(*args) def DoTransformations(*args): return _openbabel.OBResidueAtomIter_DoTransformations(*args) def ClassDescription(*args): return _openbabel.OBResidueAtomIter_ClassDescription(*args) def HasData(*args): return _openbabel.OBResidueAtomIter_HasData(*args) diff --git a/scripts/python/openbabel_python.cpp b/scripts/python/openbabel_python.cpp index 7e895ddc7..78f78be04 100644 --- a/scripts/python/openbabel_python.cpp +++ b/scripts/python/openbabel_python.cpp @@ -2483,132 +2483,127 @@ SWIG_Python_MustGetPtr(PyObject *obj, swig_type_info *ty, int argnum, int flags) #define SWIGTYPE_p_OpenBabel__OBCommentData swig_types[15] #define SWIGTYPE_p_OpenBabel__OBConformerData swig_types[16] #define SWIGTYPE_p_OpenBabel__OBConversion swig_types[17] -#define SWIGTYPE_p_OpenBabel__OBEdgeBase swig_types[18] -#define SWIGTYPE_p_OpenBabel__OBElement swig_types[19] -#define SWIGTYPE_p_OpenBabel__OBElementTable swig_types[20] -#define SWIGTYPE_p_OpenBabel__OBError swig_types[21] -#define SWIGTYPE_p_OpenBabel__OBExternalBond swig_types[22] -#define SWIGTYPE_p_OpenBabel__OBExternalBondData swig_types[23] -#define SWIGTYPE_p_OpenBabel__OBFormat swig_types[24] -#define SWIGTYPE_p_OpenBabel__OBGenericData swig_types[25] -#define SWIGTYPE_p_OpenBabel__OBGlobalDataBase swig_types[26] -#define SWIGTYPE_p_OpenBabel__OBGraphBase swig_types[27] -#define SWIGTYPE_p_OpenBabel__OBInternalCoord swig_types[28] -#define SWIGTYPE_p_OpenBabel__OBIsotopeTable swig_types[29] -#define SWIGTYPE_p_OpenBabel__OBMessageHandler swig_types[30] -#define SWIGTYPE_p_OpenBabel__OBMol swig_types[31] -#define SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter swig_types[32] -#define SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter swig_types[33] -#define SWIGTYPE_p_OpenBabel__OBMolAtomIter swig_types[34] -#define SWIGTYPE_p_OpenBabel__OBMolBondIter swig_types[35] -#define SWIGTYPE_p_OpenBabel__OBNodeBase swig_types[36] -#define SWIGTYPE_p_OpenBabel__OBPairData swig_types[37] -#define SWIGTYPE_p_OpenBabel__OBRTree swig_types[38] -#define SWIGTYPE_p_OpenBabel__OBRandom swig_types[39] -#define SWIGTYPE_p_OpenBabel__OBResidue swig_types[40] -#define SWIGTYPE_p_OpenBabel__OBResidueAtomIter swig_types[41] -#define SWIGTYPE_p_OpenBabel__OBResidueData swig_types[42] -#define SWIGTYPE_p_OpenBabel__OBResidueIter swig_types[43] -#define SWIGTYPE_p_OpenBabel__OBRing swig_types[44] -#define SWIGTYPE_p_OpenBabel__OBRingData swig_types[45] -#define SWIGTYPE_p_OpenBabel__OBRingSearch swig_types[46] -#define SWIGTYPE_p_OpenBabel__OBSSMatch swig_types[47] -#define SWIGTYPE_p_OpenBabel__OBSerialNums swig_types[48] -#define SWIGTYPE_p_OpenBabel__OBSetData swig_types[49] -#define SWIGTYPE_p_OpenBabel__OBSmartsPattern swig_types[50] -#define SWIGTYPE_p_OpenBabel__OBSqrtTbl swig_types[51] -#define SWIGTYPE_p_OpenBabel__OBStopwatch swig_types[52] -#define SWIGTYPE_p_OpenBabel__OBSymmetryData swig_types[53] -#define SWIGTYPE_p_OpenBabel__OBTorsion swig_types[54] -#define SWIGTYPE_p_OpenBabel__OBTorsionData swig_types[55] -#define SWIGTYPE_p_OpenBabel__OBTypeTable swig_types[56] -#define SWIGTYPE_p_OpenBabel__OBUnitCell swig_types[57] -#define SWIGTYPE_p_OpenBabel__OBVirtualBond swig_types[58] -#define SWIGTYPE_p_OpenBabel__Pattern swig_types[59] -#define SWIGTYPE_p_OpenBabel__Template swig_types[60] -#define SWIGTYPE_p_OpenBabel__matrix3x3 swig_types[61] -#define SWIGTYPE_p_OpenBabel__obLogBuf swig_types[62] -#define SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[63] -#define SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[64] -#define SWIGTYPE_p_OpenBabel__vector3 swig_types[65] -#define SWIGTYPE_p_a_3__double swig_types[66] -#define SWIGTYPE_p_a_4__char swig_types[67] -#define SWIGTYPE_p_allocator_type swig_types[68] -#define SWIGTYPE_p_char swig_types[69] -#define SWIGTYPE_p_const_reference swig_types[70] -#define SWIGTYPE_p_difference_type swig_types[71] -#define SWIGTYPE_p_double swig_types[72] -#define SWIGTYPE_p_int swig_types[73] -#define SWIGTYPE_p_p_OpenBabel__OBFormat swig_types[74] -#define SWIGTYPE_p_p_PyObject swig_types[75] -#define SWIGTYPE_p_p_double swig_types[76] -#define SWIGTYPE_p_p_int swig_types[77] -#define SWIGTYPE_p_reference swig_types[78] -#define SWIGTYPE_p_size_type swig_types[79] -#define SWIGTYPE_p_std__dequeTint_t swig_types[80] -#define SWIGTYPE_p_std__ifstream swig_types[81] -#define SWIGTYPE_p_std__invalid_argument swig_types[82] -#define SWIGTYPE_p_std__istream swig_types[83] -#define SWIGTYPE_p_std__mapTchar_const_p_OpenBabel__OBFormat_p_OpenBabel__CharPtrLess_std__allocatorTstd__pairTchar_const_pconst_OpenBabel__OBFormat_p_t_t_t swig_types[84] -#define SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_std__lessTint_t_std__allocatorTstd__pairTint_const_OpenBabel__OBAtom_p_t_t_t swig_types[85] -#define SWIGTYPE_p_std__mapTstd__string_std__string_std__lessTstd__string_t_std__allocatorTstd__pairTstd__string_const_std__string_t_t_t swig_types[86] -#define SWIGTYPE_p_std__ostream swig_types[87] -#define SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[88] -#define SWIGTYPE_p_std__streampos swig_types[89] -#define SWIGTYPE_p_std__string swig_types[90] -#define SWIGTYPE_p_std__type_info swig_types[91] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t swig_types[92] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator swig_types[93] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t swig_types[94] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t swig_types[95] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type swig_types[96] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type swig_types[97] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator swig_types[98] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t swig_types[99] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t swig_types[100] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type swig_types[101] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_std__allocatorTOpenBabel__OBInternalCoord_p_t_t swig_types[102] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_std__allocatorTOpenBabel__OBInternalCoord_p_t_t__iterator swig_types[103] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t swig_types[104] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type swig_types[105] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type swig_types[106] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t swig_types[107] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator swig_types[108] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator swig_types[109] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t swig_types[110] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type swig_types[111] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__value_type swig_types[112] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_std__allocatorTOpenBabel__OBRing_p_t_t swig_types[113] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_std__allocatorTOpenBabel__OBRing_p_t_t__iterator swig_types[114] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_std__allocatorTOpenBabel__OBRing_t_t swig_types[115] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_std__allocatorTOpenBabel__OBRing_t_t__allocator_type swig_types[116] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_std__allocatorTOpenBabel__OBRing_t_t__value_type swig_types[117] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_std__allocatorTOpenBabel__OBTorsion_t_t swig_types[118] -#define SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t swig_types[119] -#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t swig_types[120] -#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t__allocator_type swig_types[121] -#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t__value_type swig_types[122] -#define SWIGTYPE_p_std__vectorTdouble_p_std__allocatorTdouble_p_t_t swig_types[123] -#define SWIGTYPE_p_std__vectorTdouble_p_std__allocatorTdouble_p_t_t__iterator swig_types[124] -#define SWIGTYPE_p_std__vectorTdouble_std__allocatorTdouble_t_t swig_types[125] -#define SWIGTYPE_p_std__vectorTdouble_std__allocatorTdouble_t_t__allocator_type swig_types[126] -#define SWIGTYPE_p_std__vectorTint_std__allocatorTint_t_t swig_types[127] -#define SWIGTYPE_p_std__vectorTint_std__allocatorTint_t_t__allocator_type swig_types[128] -#define SWIGTYPE_p_std__vectorTstd__pairTint_int_t_std__allocatorTstd__pairTint_int_t_t_t swig_types[129] -#define SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_std__allocatorTstd__pairTstd__string_std__string_t_t_t swig_types[130] -#define SWIGTYPE_p_std__vectorTstd__string_std__allocatorTstd__string_t_t swig_types[131] -#define SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t_std__allocatorTstd__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t_t_t swig_types[132] -#define SWIGTYPE_p_std__vectorTstd__vectorTint_std__allocatorTint_t_t_std__allocatorTstd__vectorTint_std__allocatorTint_t_t_t_t swig_types[133] -#define SWIGTYPE_p_std__vectorTstd__vectorTint_std__allocatorTint_t_t_std__allocatorTstd__vectorTint_std__allocatorTint_t_t_t_t__allocator_type swig_types[134] -#define SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_std__allocatorTunsigned_int_t_t_std__allocatorTstd__vectorTunsigned_int_std__allocatorTunsigned_int_t_t_t_t swig_types[135] -#define SWIGTYPE_p_std__vectorTunsigned_int_std__allocatorTunsigned_int_t_t swig_types[136] -#define SWIGTYPE_p_std__vectorTunsigned_short_std__allocatorTunsigned_short_t_t swig_types[137] -#define SWIGTYPE_p_swig__PySwigIterator swig_types[138] -#define SWIGTYPE_p_unsigned_int swig_types[139] -#define SWIGTYPE_p_value_type swig_types[140] -#define SWIGTYPE_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__value_type swig_types[141] -static swig_type_info *swig_types[143]; -static swig_module_info swig_module = {swig_types, 142, 0, 0, 0, 0}; +#define SWIGTYPE_p_OpenBabel__OBElement swig_types[18] +#define SWIGTYPE_p_OpenBabel__OBElementTable swig_types[19] +#define SWIGTYPE_p_OpenBabel__OBError swig_types[20] +#define SWIGTYPE_p_OpenBabel__OBExternalBond swig_types[21] +#define SWIGTYPE_p_OpenBabel__OBExternalBondData swig_types[22] +#define SWIGTYPE_p_OpenBabel__OBFormat swig_types[23] +#define SWIGTYPE_p_OpenBabel__OBGenericData swig_types[24] +#define SWIGTYPE_p_OpenBabel__OBGlobalDataBase swig_types[25] +#define SWIGTYPE_p_OpenBabel__OBInternalCoord swig_types[26] +#define SWIGTYPE_p_OpenBabel__OBIsotopeTable swig_types[27] +#define SWIGTYPE_p_OpenBabel__OBMessageHandler swig_types[28] +#define SWIGTYPE_p_OpenBabel__OBMol swig_types[29] +#define SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter swig_types[30] +#define SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter swig_types[31] +#define SWIGTYPE_p_OpenBabel__OBMolAtomIter swig_types[32] +#define SWIGTYPE_p_OpenBabel__OBMolBondIter swig_types[33] +#define SWIGTYPE_p_OpenBabel__OBPairData swig_types[34] +#define SWIGTYPE_p_OpenBabel__OBRTree swig_types[35] +#define SWIGTYPE_p_OpenBabel__OBRandom swig_types[36] +#define SWIGTYPE_p_OpenBabel__OBResidue swig_types[37] +#define SWIGTYPE_p_OpenBabel__OBResidueAtomIter swig_types[38] +#define SWIGTYPE_p_OpenBabel__OBResidueData swig_types[39] +#define SWIGTYPE_p_OpenBabel__OBResidueIter swig_types[40] +#define SWIGTYPE_p_OpenBabel__OBRing swig_types[41] +#define SWIGTYPE_p_OpenBabel__OBRingData swig_types[42] +#define SWIGTYPE_p_OpenBabel__OBRingSearch swig_types[43] +#define SWIGTYPE_p_OpenBabel__OBSSMatch swig_types[44] +#define SWIGTYPE_p_OpenBabel__OBSerialNums swig_types[45] +#define SWIGTYPE_p_OpenBabel__OBSetData swig_types[46] +#define SWIGTYPE_p_OpenBabel__OBSmartsPattern swig_types[47] +#define SWIGTYPE_p_OpenBabel__OBSqrtTbl swig_types[48] +#define SWIGTYPE_p_OpenBabel__OBStopwatch swig_types[49] +#define SWIGTYPE_p_OpenBabel__OBSymmetryData swig_types[50] +#define SWIGTYPE_p_OpenBabel__OBTorsion swig_types[51] +#define SWIGTYPE_p_OpenBabel__OBTorsionData swig_types[52] +#define SWIGTYPE_p_OpenBabel__OBTypeTable swig_types[53] +#define SWIGTYPE_p_OpenBabel__OBUnitCell swig_types[54] +#define SWIGTYPE_p_OpenBabel__OBVirtualBond swig_types[55] +#define SWIGTYPE_p_OpenBabel__Pattern swig_types[56] +#define SWIGTYPE_p_OpenBabel__Template swig_types[57] +#define SWIGTYPE_p_OpenBabel__matrix3x3 swig_types[58] +#define SWIGTYPE_p_OpenBabel__obLogBuf swig_types[59] +#define SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[60] +#define SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[61] +#define SWIGTYPE_p_OpenBabel__vector3 swig_types[62] +#define SWIGTYPE_p_a_3__double swig_types[63] +#define SWIGTYPE_p_a_4__char swig_types[64] +#define SWIGTYPE_p_allocator_type swig_types[65] +#define SWIGTYPE_p_char swig_types[66] +#define SWIGTYPE_p_const_reference swig_types[67] +#define SWIGTYPE_p_difference_type swig_types[68] +#define SWIGTYPE_p_double swig_types[69] +#define SWIGTYPE_p_int swig_types[70] +#define SWIGTYPE_p_p_OpenBabel__OBFormat swig_types[71] +#define SWIGTYPE_p_p_PyObject swig_types[72] +#define SWIGTYPE_p_p_double swig_types[73] +#define SWIGTYPE_p_p_int swig_types[74] +#define SWIGTYPE_p_reference swig_types[75] +#define SWIGTYPE_p_size_type swig_types[76] +#define SWIGTYPE_p_std__dequeTint_t swig_types[77] +#define SWIGTYPE_p_std__ifstream swig_types[78] +#define SWIGTYPE_p_std__invalid_argument swig_types[79] +#define SWIGTYPE_p_std__istream swig_types[80] +#define SWIGTYPE_p_std__mapTchar_const_p_OpenBabel__OBFormat_p_OpenBabel__CharPtrLess_std__allocatorTstd__pairTchar_const_pconst_OpenBabel__OBFormat_p_t_t_t swig_types[81] +#define SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_std__lessTint_t_std__allocatorTstd__pairTint_const_OpenBabel__OBAtom_p_t_t_t swig_types[82] +#define SWIGTYPE_p_std__mapTstd__string_std__string_std__lessTstd__string_t_std__allocatorTstd__pairTstd__string_const_std__string_t_t_t swig_types[83] +#define SWIGTYPE_p_std__ostream swig_types[84] +#define SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[85] +#define SWIGTYPE_p_std__streampos swig_types[86] +#define SWIGTYPE_p_std__string swig_types[87] +#define SWIGTYPE_p_std__type_info swig_types[88] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t swig_types[89] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator swig_types[90] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t swig_types[91] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator swig_types[92] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t swig_types[93] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type swig_types[94] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type swig_types[95] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t swig_types[96] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t swig_types[97] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type swig_types[98] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_std__allocatorTOpenBabel__OBInternalCoord_p_t_t swig_types[99] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_std__allocatorTOpenBabel__OBInternalCoord_p_t_t__iterator swig_types[100] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t swig_types[101] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type swig_types[102] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type swig_types[103] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator swig_types[104] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t swig_types[105] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type swig_types[106] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__value_type swig_types[107] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_std__allocatorTOpenBabel__OBRing_p_t_t swig_types[108] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_std__allocatorTOpenBabel__OBRing_p_t_t__iterator swig_types[109] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_std__allocatorTOpenBabel__OBRing_t_t swig_types[110] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_std__allocatorTOpenBabel__OBRing_t_t__allocator_type swig_types[111] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_std__allocatorTOpenBabel__OBRing_t_t__value_type swig_types[112] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_std__allocatorTOpenBabel__OBTorsion_t_t swig_types[113] +#define SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t swig_types[114] +#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t swig_types[115] +#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t__allocator_type swig_types[116] +#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t__value_type swig_types[117] +#define SWIGTYPE_p_std__vectorTdouble_p_std__allocatorTdouble_p_t_t swig_types[118] +#define SWIGTYPE_p_std__vectorTdouble_p_std__allocatorTdouble_p_t_t__iterator swig_types[119] +#define SWIGTYPE_p_std__vectorTdouble_std__allocatorTdouble_t_t swig_types[120] +#define SWIGTYPE_p_std__vectorTdouble_std__allocatorTdouble_t_t__allocator_type swig_types[121] +#define SWIGTYPE_p_std__vectorTint_std__allocatorTint_t_t swig_types[122] +#define SWIGTYPE_p_std__vectorTint_std__allocatorTint_t_t__allocator_type swig_types[123] +#define SWIGTYPE_p_std__vectorTstd__pairTint_int_t_std__allocatorTstd__pairTint_int_t_t_t swig_types[124] +#define SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_std__allocatorTstd__pairTstd__string_std__string_t_t_t swig_types[125] +#define SWIGTYPE_p_std__vectorTstd__string_std__allocatorTstd__string_t_t swig_types[126] +#define SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t_std__allocatorTstd__vectorTOpenBabel__vector3_std__allocatorTOpenBabel__vector3_t_t_t_t swig_types[127] +#define SWIGTYPE_p_std__vectorTstd__vectorTint_std__allocatorTint_t_t_std__allocatorTstd__vectorTint_std__allocatorTint_t_t_t_t swig_types[128] +#define SWIGTYPE_p_std__vectorTstd__vectorTint_std__allocatorTint_t_t_std__allocatorTstd__vectorTint_std__allocatorTint_t_t_t_t__allocator_type swig_types[129] +#define SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_std__allocatorTunsigned_int_t_t_std__allocatorTstd__vectorTunsigned_int_std__allocatorTunsigned_int_t_t_t_t swig_types[130] +#define SWIGTYPE_p_std__vectorTunsigned_int_std__allocatorTunsigned_int_t_t swig_types[131] +#define SWIGTYPE_p_std__vectorTunsigned_short_std__allocatorTunsigned_short_t_t swig_types[132] +#define SWIGTYPE_p_swig__PySwigIterator swig_types[133] +#define SWIGTYPE_p_unsigned_int swig_types[134] +#define SWIGTYPE_p_value_type swig_types[135] +#define SWIGTYPE_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__value_type swig_types[136] +static swig_type_info *swig_types[138]; +static swig_module_info swig_module = {swig_types, 137, 0, 0, 0, 0}; #define SWIG_TypeQuery(name) SWIG_TypeQueryModule(&swig_module, &swig_module, name) #define SWIG_MangledTypeQuery(name) SWIG_MangledTypeQueryModule(&swig_module, &swig_module, name) @@ -27203,6 +27198,40 @@ fail: SWIGINTERN PyObject *_wrap_OBSetData_GetData__SWIG_0(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int res2 ; + char *buf2 = 0 ; + int alloc2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBSetData_GetData",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBSetData, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_GetData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); + res2 = SWIG_AsCharPtrAndSize(obj1, &buf2, NULL, &alloc2); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSetData_GetData" "', argument " "2"" of type '" "char const *""'"); + } + arg2 = reinterpret_cast< char * >(buf2); + result = (OpenBabel::OBGenericData *)(arg1)->GetData((char const *)arg2); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, 0 | 0 ); + if (alloc2 == SWIG_NEWOBJ) delete[] buf2; + return resultobj; +fail: + if (alloc2 == SWIG_NEWOBJ) delete[] buf2; + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBSetData_GetData__SWIG_1(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; std::string *arg2 = 0 ; @@ -27240,7 +27269,7 @@ fail: } -SWIGINTERN PyObject *_wrap_OBSetData_GetData__SWIG_1(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { +SWIGINTERN PyObject *_wrap_OBSetData_GetData__SWIG_2(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; std::vector > *result = 0 ; @@ -27281,7 +27310,7 @@ SWIGINTERN PyObject *_wrap_OBSetData_GetData(PyObject *self, PyObject *args) { int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_OpenBabel__OBSetData, 0); _v = SWIG_CheckState(res); if (_v) { - return _wrap_OBSetData_GetData__SWIG_1(self, args); + return _wrap_OBSetData_GetData__SWIG_2(self, args); } } if (argc == 2) { @@ -27292,6 +27321,19 @@ SWIGINTERN PyObject *_wrap_OBSetData_GetData(PyObject *self, PyObject *args) { if (_v) { int res = SWIG_AsPtr_std_string(argv[1], (std::string**)(0)); _v = SWIG_CheckState(res); + if (_v) { + return _wrap_OBSetData_GetData__SWIG_1(self, args); + } + } + } + if (argc == 2) { + int _v; + void *vptr = 0; + int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_OpenBabel__OBSetData, 0); + _v = SWIG_CheckState(res); + if (_v) { + int res = SWIG_AsCharPtrAndSize(argv[1], 0, NULL, 0); + _v = SWIG_CheckState(res); if (_v) { return _wrap_OBSetData_GetData__SWIG_0(self, args); } @@ -27299,7 +27341,7 @@ SWIGINTERN PyObject *_wrap_OBSetData_GetData(PyObject *self, PyObject *args) { } fail: - SWIG_SetErrorMsg(PyExc_NotImplementedError,"Wrong number of arguments for overloaded function 'OBSetData_GetData'.\n Possible C/C++ prototypes are:\n GetData(std::string const &)\n GetData()\n"); + SWIG_SetErrorMsg(PyExc_NotImplementedError,"Wrong number of arguments for overloaded function 'OBSetData_GetData'.\n Possible C/C++ prototypes are:\n GetData(char const *)\n GetData(std::string const &)\n GetData()\n"); return NULL; } @@ -32341,1479 +32383,6 @@ SWIGINTERN PyObject *OBBase_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *a return SWIG_Python_InitShadowInstance(args); } -SWIGINTERN PyObject *_wrap_OBNodeBase_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool) ((arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_new_OBNodeBase(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *result = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"new_OBNodeBase",0,0)) SWIG_fail; - result = (OpenBabel::OBNodeBase *)new OpenBabel::OBNodeBase(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, SWIG_POINTER_NEW | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_delete_OBNodeBase(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"delete_OBNodeBase",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, SWIG_POINTER_DISOWN | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBNodeBase" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - delete arg1; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetIdx",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetIdx(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_SetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_SetIdx",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_SetIdx" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->SetIdx(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetParent" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (OpenBabel::OBGraphBase *)(arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetParent" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_AddEdge(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_AddEdge",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (arg1)->AddEdge(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetValence(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetValence",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetValence(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_IsConnected(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_IsConnected",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(arg1)->IsConnected(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Error" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetFormalCharge(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetFormalCharge",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (int)((OpenBabel::OBNodeBase const *)arg1)->GetFormalCharge(); - resultobj = SWIG_From_int(static_cast< int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_ExplicitHydrogenCount(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_ExplicitHydrogenCount",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->ExplicitHydrogenCount(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_ImplicitHydrogenCount(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_ImplicitHydrogenCount",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->ImplicitHydrogenCount(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetImplicitValence(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetImplicitValence",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetImplicitValence(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetHvyValence(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetHvyValence",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetHvyValence(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_KBOSum(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_KBOSum",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->KBOSum(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetHyb(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetHyb",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetHyb(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_MemberOfRingCount(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_MemberOfRingCount",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->MemberOfRingCount(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetAtomicNum(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetAtomicNum",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetAtomicNum(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_SetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_SetMatch",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetMatch(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_SetAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_SetAromatic",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - (arg1)->SetAromatic(); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_IsInRingSize(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_IsInRingSize",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBNodeBase_IsInRingSize" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsInRingSize(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_IsAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_IsAromatic",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsAromatic(); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_IsInRing(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_IsInRing",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsInRing(); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_Eval" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBNodeBase_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBNodeBase_GetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBNodeBase_GetMatch",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBNodeBase_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetMatch(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *OBNodeBase_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *obj; - if (!PyArg_UnpackTuple(args,(char*)"swigregister", 1, 1,&obj)) return NULL; - SWIG_TypeNewClientData(SWIGTYPE_p_OpenBabel__OBNodeBase, SWIG_NewClientData(obj)); - return SWIG_Py_Void(); -} - -SWIGINTERN PyObject *OBNodeBase_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - return SWIG_Python_InitShadowInstance(args); -} - -SWIGINTERN PyObject *_wrap_OBEdgeBase_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBEdgeBase_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool) ((arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_new_OBEdgeBase__SWIG_0(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *result = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"new_OBEdgeBase",0,0)) SWIG_fail; - result = (OpenBabel::OBEdgeBase *)new OpenBabel::OBEdgeBase(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBEdgeBase, SWIG_POINTER_NEW | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_new_OBEdgeBase__SWIG_1(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBEdgeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"new_OBEdgeBase",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBEdgeBase" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBEdgeBase" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (OpenBabel::OBEdgeBase *)new OpenBabel::OBEdgeBase(arg1,arg2); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBEdgeBase, SWIG_POINTER_NEW | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_new_OBEdgeBase(PyObject *self, PyObject *args) { - int argc; - PyObject *argv[3]; - int ii; - - if (!PyTuple_Check(args)) SWIG_fail; - argc = PyObject_Length(args); - for (ii = 0; (ii < argc) && (ii < 2); ii++) { - argv[ii] = PyTuple_GET_ITEM(args,ii); - } - if (argc == 0) { - return _wrap_new_OBEdgeBase__SWIG_0(self, args); - } - if (argc == 2) { - int _v; - void *vptr = 0; - int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_OpenBabel__OBNodeBase, 0); - _v = SWIG_CheckState(res); - if (_v) { - void *vptr = 0; - int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_OpenBabel__OBNodeBase, 0); - _v = SWIG_CheckState(res); - if (_v) { - return _wrap_new_OBEdgeBase__SWIG_1(self, args); - } - } - } - -fail: - SWIG_SetErrorMsg(PyExc_NotImplementedError,"Wrong number of arguments for overloaded function 'new_OBEdgeBase'.\n Possible C/C++ prototypes are:\n OpenBabel::OBEdgeBase()\n OpenBabel::OBEdgeBase(OpenBabel::OBNodeBase *,OpenBabel::OBNodeBase *)\n"); - return NULL; -} - - -SWIGINTERN PyObject *_wrap_delete_OBEdgeBase(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"delete_OBEdgeBase",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, SWIG_POINTER_DISOWN | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBEdgeBase" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - delete arg1; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetParent" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBGraphBase *)(arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetParent" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_GetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_GetIdx",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (unsigned int)(arg1)->GetIdx(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_SetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_SetIdx",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBEdgeBase_SetIdx" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->SetIdx(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_SetBgn(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_SetBgn",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetBgn" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetBgn(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_SetEnd(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_SetEnd",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetEnd" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_SetEnd" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetEnd(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_SwapEnds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_SwapEnds",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - (arg1)->SwapEnds(); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_GetBgn(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_GetBgn",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetBgn" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetBgn(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_GetEnd(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_GetEnd",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetEnd(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Error" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBEdgeBase_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_SetClosure(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_SetClosure",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_SetClosure" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - (arg1)->SetClosure(); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_IsAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_IsAromatic",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)((OpenBabel::OBEdgeBase const *)arg1)->IsAromatic(); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_IsInRing(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_IsInRing",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)((OpenBabel::OBEdgeBase const *)arg1)->IsInRing(); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_IsClosure(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_IsClosure",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_IsClosure" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)(arg1)->IsClosure(); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_Eval" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBEdgeBase_Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBEdgeBase_GetBO(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBEdgeBase_GetBO",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEdgeBase_GetBO" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBEdgeBase const *)arg1)->GetBO(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *OBEdgeBase_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *obj; - if (!PyArg_UnpackTuple(args,(char*)"swigregister", 1, 1,&obj)) return NULL; - SWIG_TypeNewClientData(SWIGTYPE_p_OpenBabel__OBEdgeBase, SWIG_NewClientData(obj)); - return SWIG_Py_Void(); -} - -SWIGINTERN PyObject *OBEdgeBase_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - return SWIG_Python_InitShadowInstance(args); -} - -SWIGINTERN PyObject *_wrap_new_OBGraphBase__SWIG_0(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *result = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"new_OBGraphBase",0,0)) SWIG_fail; - result = (OpenBabel::OBGraphBase *)new OpenBabel::OBGraphBase(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, SWIG_POINTER_NEW | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_new_OBGraphBase__SWIG_1(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *arg1 = 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"new_OBGraphBase",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1, SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase const &""'"); - } - if (!argp1) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase const &""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (OpenBabel::OBGraphBase *)new OpenBabel::OBGraphBase((OpenBabel::OBGraphBase const &)*arg1); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, SWIG_POINTER_NEW | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_new_OBGraphBase(PyObject *self, PyObject *args) { - int argc; - PyObject *argv[2]; - int ii; - - if (!PyTuple_Check(args)) SWIG_fail; - argc = PyObject_Length(args); - for (ii = 0; (ii < argc) && (ii < 1); ii++) { - argv[ii] = PyTuple_GET_ITEM(args,ii); - } - if (argc == 0) { - return _wrap_new_OBGraphBase__SWIG_0(self, args); - } - if (argc == 1) { - int _v; - int res = SWIG_ConvertPtr(argv[0], 0, SWIGTYPE_p_OpenBabel__OBGraphBase, 0); - _v = SWIG_CheckState(res); - if (_v) { - return _wrap_new_OBGraphBase__SWIG_1(self, args); - } - } - -fail: - SWIG_SetErrorMsg(PyExc_NotImplementedError,"Wrong number of arguments for overloaded function 'new_OBGraphBase'.\n Possible C/C++ prototypes are:\n OpenBabel::OBGraphBase()\n OpenBabel::OBGraphBase(OpenBabel::OBGraphBase const &)\n"); - return NULL; -} - - -SWIGINTERN PyObject *_wrap_delete_OBGraphBase(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"delete_OBGraphBase",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, SWIG_POINTER_DISOWN | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - delete arg1; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBGraphBase_NumNodes(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBGraphBase_NumNodes",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_NumNodes" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (unsigned int)(arg1)->NumNodes(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBGraphBase_NumEdges(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBGraphBase_NumEdges",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_NumEdges" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (unsigned int)(arg1)->NumEdges(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBGraphBase_ResetVisitFlags(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBGraphBase_ResetVisitFlags",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_ResetVisitFlags" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - (arg1)->ResetVisitFlags(); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBGraphBase_SetVisitLock(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - bool arg2 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBGraphBase_SetVisitLock",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_SetVisitLock" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBGraphBase_SetVisitLock" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - result = (bool)(arg1)->SetVisitLock(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBGraphBase_GetVisitLock(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBGraphBase_GetVisitLock",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphBase_GetVisitLock" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (bool)(arg1)->GetVisitLock(); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *OBGraphBase_swigregister(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *obj; - if (!PyArg_UnpackTuple(args,(char*)"swigregister", 1, 1,&obj)) return NULL; - SWIG_TypeNewClientData(SWIGTYPE_p_OpenBabel__OBGraphBase, SWIG_NewClientData(obj)); - return SWIG_Py_Void(); -} - -SWIGINTERN PyObject *OBGraphBase_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - return SWIG_Python_InitShadowInstance(args); -} - SWIGINTERN PyObject *_wrap_new_OBError__SWIG_0(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; std::string *arg1 = 0 ; @@ -39470,6 +38039,50 @@ fail: } +SWIGINTERN PyObject *_wrap_OBResidue_BeginAtoms(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidue_BeginAtoms",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidue, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); + result = (arg1)->BeginAtoms(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBResidue_EndAtoms(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidue_EndAtoms",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidue, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); + result = (arg1)->EndAtoms(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBResidue_BeginAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; @@ -40853,6 +39466,59 @@ SWIGINTERN PyObject *ElemNo_get(void) { } +SWIGINTERN PyObject *_wrap_OBAtom_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtom_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtom_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBAtom_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtom_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + result = (bool) ((arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_new_OBAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *result = 0 ; @@ -41530,6 +40196,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtom_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtom_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtom_SetAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; @@ -42293,6 +40989,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtom_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtom_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtom_GetNewBondVector(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; @@ -42392,7 +41110,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtom_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -42404,7 +41122,7 @@ SWIGINTERN PyObject *_wrap_OBAtom_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyO } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->BeginBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -42414,7 +41132,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtom_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -42426,7 +41144,7 @@ SWIGINTERN PyObject *_wrap_OBAtom_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObj } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->EndBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -42436,7 +41154,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtom_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -42451,14 +41169,14 @@ SWIGINTERN PyObject *_wrap_OBAtom_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyOb SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -42470,7 +41188,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtom_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -42485,14 +41203,14 @@ SWIGINTERN PyObject *_wrap_OBAtom_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObj SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -42504,7 +41222,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtom_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -42519,14 +41237,14 @@ SWIGINTERN PyObject *_wrap_OBAtom_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(self), P SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->BeginNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -42538,7 +41256,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtom_NextNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -42553,14 +41271,14 @@ SWIGINTERN PyObject *_wrap_OBAtom_NextNbrAtom(PyObject *SWIGUNUSEDPARM(self), Py SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->NextNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -42889,7 +41607,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtom_InsertBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -42907,14 +41625,14 @@ SWIGINTERN PyObject *_wrap_OBAtom_InsertBond(PyObject *SWIGUNUSEDPARM(self), PyO SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); res3 = SWIG_ConvertPtr(obj2, &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtom_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -44441,6 +43159,59 @@ SWIGINTERN PyObject *OBAtom_swiginit(PyObject *SWIGUNUSEDPARM(self), PyObject *a return SWIG_Python_InitShadowInstance(args); } +SWIGINTERN PyObject *_wrap_OBBond_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBBond_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBond_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBBond_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBBond_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (bool) ((arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_new_OBBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBBond *result = 0 ; @@ -44596,6 +43367,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBBond_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBBond_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBBond_SetLength(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -45037,6 +43838,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBBond_GetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBBond_GetIdx",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetIdx(); + resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBBond_GetBO(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -45222,6 +44045,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBBond_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBBond_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBBond_GetEquibLength(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -45972,7 +44817,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMol_DestroyAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -45986,11 +44831,11 @@ SWIGINTERN PyObject *_wrap_OBMol_DestroyAtom(PyObject *SWIGUNUSEDPARM(self), PyO SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DestroyAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyAtom" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'"); } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); + arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->DestroyAtom(arg2); resultobj = SWIG_Py_Void(); return resultobj; @@ -46002,7 +44847,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMol_DestroyBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -46016,11 +44861,11 @@ SWIGINTERN PyObject *_wrap_OBMol_DestroyBond(PyObject *SWIGUNUSEDPARM(self), PyO SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DestroyBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyBond" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'"); } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); + arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (arg1)->DestroyBond(arg2); resultobj = SWIG_Py_Void(); return resultobj; @@ -48768,7 +47613,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMol_RenumberAtoms(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector > *arg2 = 0 ; + std::vector > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -48782,14 +47627,14 @@ SWIGINTERN PyObject *_wrap_OBMol_RenumberAtoms(PyObject *SWIGUNUSEDPARM(self), P SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_RenumberAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector > &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector > &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector > &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector > &""'"); } - arg2 = reinterpret_cast< std::vector > * >(argp2); + arg2 = reinterpret_cast< std::vector > * >(argp2); (arg1)->RenumberAtoms(*arg2); resultobj = SWIG_Py_Void(); return resultobj; @@ -51144,10 +49989,142 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMol_BeginAtoms(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMol_BeginAtoms",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginAtoms(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMol_EndAtoms(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMol_EndAtoms",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndAtoms(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMol_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMol_BeginBonds",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginBonds(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMol_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMol_EndBonds",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndBonds(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMol_BeginResidues(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMol_BeginResidues",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginResidues" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginResidues(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBResidueIterator(static_cast< const OpenBabel::OBResidueIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMol_EndResidues(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMol_EndResidues",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndResidues" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndResidues(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBResidueIterator(static_cast< const OpenBabel::OBResidueIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMol_BeginAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51162,14 +50139,14 @@ SWIGINTERN PyObject *_wrap_OBMol_BeginAtom(PyObject *SWIGUNUSEDPARM(self), PyObj SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->BeginAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -51181,7 +50158,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMol_NextAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51196,14 +50173,14 @@ SWIGINTERN PyObject *_wrap_OBMol_NextAtom(PyObject *SWIGUNUSEDPARM(self), PyObje SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NextAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->NextAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -51215,7 +50192,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMol_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51230,14 +50207,14 @@ SWIGINTERN PyObject *_wrap_OBMol_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObj SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -51249,7 +50226,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMol_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51264,14 +50241,14 @@ SWIGINTERN PyObject *_wrap_OBMol_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObje SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -52373,7 +51350,7 @@ fail: SWIGINTERN PyObject *_wrap_OBRTree_PathToRoot(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; - std::vector > *arg2 = 0 ; + std::vector > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -52387,14 +51364,14 @@ SWIGINTERN PyObject *_wrap_OBRTree_PathToRoot(PyObject *SWIGUNUSEDPARM(self), Py SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRTree_PathToRoot" "', argument " "1"" of type '" "OpenBabel::OBRTree *""'"); } arg1 = reinterpret_cast< OpenBabel::OBRTree * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector > &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector > &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector > &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector > &""'"); } - arg2 = reinterpret_cast< std::vector > * >(argp2); + arg2 = reinterpret_cast< std::vector > * >(argp2); (arg1)->PathToRoot(*arg2); resultobj = SWIG_Py_Void(); return resultobj; @@ -54893,6 +53870,59 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMolAtomIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomIter_Clear(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -55535,6 +54565,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomIter_SetAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -56298,6 +55358,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomIter_GetNewBondVector(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -56397,7 +55479,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomIter_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -56409,7 +55491,7 @@ SWIGINTERN PyObject *_wrap_OBMolAtomIter_BeginBonds(PyObject *SWIGUNUSEDPARM(sel } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -56419,7 +55501,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomIter_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -56431,7 +55513,7 @@ SWIGINTERN PyObject *_wrap_OBMolAtomIter_EndBonds(PyObject *SWIGUNUSEDPARM(self) } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->EndBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -56441,7 +55523,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomIter_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -56456,14 +55538,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomIter_BeginBond(PyObject *SWIGUNUSEDPARM(self SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -56475,7 +55557,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomIter_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -56490,14 +55572,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomIter_NextBond(PyObject *SWIGUNUSEDPARM(self) SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -56509,7 +55591,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomIter_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -56524,14 +55606,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomIter_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(s SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -56543,7 +55625,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -56558,14 +55640,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM(se SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -56894,7 +55976,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomIter_InsertBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -56912,14 +55994,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomIter_InsertBond(PyObject *SWIGUNUSEDPARM(sel SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); res3 = SWIG_ConvertPtr(obj2, &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -58435,254 +57517,6 @@ fail: } -SWIGINTERN PyObject *_wrap_OBMolAtomIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_AddEdge(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_AddEdge",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_SetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_SetMatch",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomIter_GetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomIter_GetMatch",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - SWIGINTERN PyObject *_wrap_OBMolAtomIter_DoTransformations(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -59554,6 +58388,59 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + result = (bool) ((*arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_Clear(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -60196,6 +59083,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_SetAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -60959,6 +59876,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_GetNewBondVector(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -61058,7 +59997,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -61070,7 +60009,7 @@ SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_BeginBonds(PyObject *SWIGUNUSEDPARM( } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->BeginBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -61080,7 +60019,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -61092,7 +60031,7 @@ SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_EndBonds(PyObject *SWIGUNUSEDPARM(se } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->EndBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -61102,7 +60041,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -61117,14 +60056,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_BeginBond(PyObject *SWIGUNUSEDPARM(s SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -61136,7 +60075,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -61151,14 +60090,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_NextBond(PyObject *SWIGUNUSEDPARM(se SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -61170,7 +60109,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -61185,14 +60124,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_BeginNbrAtom(PyObject *SWIGUNUSEDPAR SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -61204,7 +60143,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -61219,14 +60158,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -61555,7 +60494,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_InsertBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -61573,14 +60512,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_InsertBond(PyObject *SWIGUNUSEDPARM( SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); res3 = SWIG_ConvertPtr(obj2, &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -63096,254 +62035,6 @@ fail: } -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (bool) ((*arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_AddEdge(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_AddEdge",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_SetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_SetMatch",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_GetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomDFSIter_GetMatch",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - SWIGINTERN PyObject *_wrap_OBMolAtomDFSIter_DoTransformations(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -64215,6 +62906,59 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + result = (bool) ((*arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_Clear(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -64857,6 +63601,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_SetAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -65620,6 +64394,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_GetNewBondVector(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -65719,7 +64515,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -65731,7 +64527,7 @@ SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_BeginBonds(PyObject *SWIGUNUSEDPARM( } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->BeginBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -65741,7 +64537,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -65753,7 +64549,7 @@ SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_EndBonds(PyObject *SWIGUNUSEDPARM(se } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->EndBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -65763,7 +64559,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -65778,14 +64574,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_BeginBond(PyObject *SWIGUNUSEDPARM(s SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -65797,7 +64593,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -65812,14 +64608,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_NextBond(PyObject *SWIGUNUSEDPARM(se SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -65831,7 +64627,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -65846,14 +64642,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_BeginNbrAtom(PyObject *SWIGUNUSEDPAR SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -65865,7 +64661,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -65880,14 +64676,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -66216,7 +65012,7 @@ fail: SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_InsertBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -66234,14 +65030,14 @@ SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_InsertBond(PyObject *SWIGUNUSEDPARM( SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); res3 = SWIG_ConvertPtr(obj2, &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -67757,254 +66553,6 @@ fail: } -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (bool) ((*arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_AddEdge(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_AddEdge",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_SetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_SetMatch",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_GetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolAtomBFSIter_GetMatch",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - SWIGINTERN PyObject *_wrap_OBMolAtomBFSIter_DoTransformations(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -68929,6 +67477,59 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolBondIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBMolBondIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (bool) ((*arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolBondIter_SetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -69049,6 +67650,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolBondIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolBondIter_SetLength(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -69490,6 +68121,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolBondIter_GetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_GetIdx",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (unsigned int)(*arg1)->GetIdx(); + resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolBondIter_GetBO(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -69675,6 +68328,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBMolBondIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBMolBondIter_GetEquibLength(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -70190,289 +68865,6 @@ fail: } -SWIGINTERN PyObject *_wrap_OBMolBondIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (bool) ((*arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_GetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_GetIdx",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (unsigned int)(*arg1)->GetIdx(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_SetBgn(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_SetBgn",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetBgn" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetBgn(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_SwapEnds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_SwapEnds",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - (*arg1)->SwapEnds(); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_GetBgn(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_GetBgn",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetBgn" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetBgn(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_GetEnd(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_GetEnd",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetEnd(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Error" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBMolBondIter_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBMolBondIter_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - SWIGINTERN PyObject *_wrap_OBMolBondIter_DoTransformations(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -71397,6 +69789,59 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtomAtomIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBAtomAtomIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtomAtomIter_Clear(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -72039,6 +70484,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtomAtomIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtomAtomIter_SetAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -72802,6 +71277,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtomAtomIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtomAtomIter_GetNewBondVector(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -72901,7 +71398,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtomAtomIter_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -72913,7 +71410,7 @@ SWIGINTERN PyObject *_wrap_OBAtomAtomIter_BeginBonds(PyObject *SWIGUNUSEDPARM(se } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -72923,7 +71420,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtomAtomIter_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -72935,7 +71432,7 @@ SWIGINTERN PyObject *_wrap_OBAtomAtomIter_EndBonds(PyObject *SWIGUNUSEDPARM(self } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->EndBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -72945,7 +71442,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtomAtomIter_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -72960,14 +71457,14 @@ SWIGINTERN PyObject *_wrap_OBAtomAtomIter_BeginBond(PyObject *SWIGUNUSEDPARM(sel SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -72979,7 +71476,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtomAtomIter_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -72994,14 +71491,14 @@ SWIGINTERN PyObject *_wrap_OBAtomAtomIter_NextBond(PyObject *SWIGUNUSEDPARM(self SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -73013,7 +71510,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtomAtomIter_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -73028,14 +71525,14 @@ SWIGINTERN PyObject *_wrap_OBAtomAtomIter_BeginNbrAtom(PyObject *SWIGUNUSEDPARM( SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -73047,7 +71544,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtomAtomIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -73062,14 +71559,14 @@ SWIGINTERN PyObject *_wrap_OBAtomAtomIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM(s SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -73398,7 +71895,7 @@ fail: SWIGINTERN PyObject *_wrap_OBAtomAtomIter_InsertBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -73416,14 +71913,14 @@ SWIGINTERN PyObject *_wrap_OBAtomAtomIter_InsertBond(PyObject *SWIGUNUSEDPARM(se SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); res3 = SWIG_ConvertPtr(obj2, &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -74939,254 +73436,6 @@ fail: } -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_AddEdge(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_AddEdge",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Error" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_SetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_SetMatch",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomAtomIter_GetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomAtomIter_GetMatch",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - SWIGINTERN PyObject *_wrap_OBAtomAtomIter_DoTransformations(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -76111,6 +74360,59 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtomBondIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBAtomBondIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (bool) ((*arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtomBondIter_SetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -76231,6 +74533,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtomBondIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtomBondIter_SetLength(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -76672,6 +75004,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_GetIdx",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (unsigned int)(*arg1)->GetIdx(); + resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetBO(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -76857,6 +75211,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetEquibLength(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -77372,289 +75748,6 @@ fail: } -SWIGINTERN PyObject *_wrap_OBAtomBondIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (bool) ((*arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetIdx(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_GetIdx",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (unsigned int)(*arg1)->GetIdx(); - resultobj = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_SetBgn(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_SetBgn",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetBgn" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetBgn(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_SwapEnds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_SwapEnds",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - (*arg1)->SwapEnds(); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetBgn(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_GetBgn",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetBgn" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetBgn(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_GetEnd(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_GetEnd",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetEnd(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Error" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBAtomBondIter_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBAtomBondIter_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - SWIGINTERN PyObject *_wrap_OBAtomBondIter_DoTransformations(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -79467,6 +77560,50 @@ fail: } +SWIGINTERN PyObject *_wrap_OBResidueIter_BeginAtoms(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidueIter_BeginAtoms",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); + result = (*arg1)->BeginAtoms(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBResidueIter_EndAtoms(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper >::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidueIter_EndAtoms",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); + result = (*arg1)->EndAtoms(); + resultobj = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBResidueIter_BeginAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; @@ -80459,6 +78596,59 @@ fail: } +SWIGINTERN PyObject *_wrap_OBResidueAtomIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool(obj1, &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + +SWIGINTERN PyObject *_wrap_OBResidueAtomIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_Visit_get",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + resultobj = SWIG_From_bool(static_cast< bool >(result)); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBResidueAtomIter_Clear(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -81101,6 +79291,36 @@ fail: } +SWIGINTERN PyObject *_wrap_OBResidueAtomIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + PyObject * obj0 = 0 ; + PyObject * obj1 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + resultobj = SWIG_Py_Void(); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBResidueAtomIter_SetAromatic(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -81864,6 +80084,28 @@ fail: } +SWIGINTERN PyObject *_wrap_OBResidueAtomIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { + PyObject *resultobj = 0; + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + PyObject * obj0 = 0 ; + + if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_GetParent",1,1,&obj0)) SWIG_fail; + res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return resultobj; +fail: + return NULL; +} + + SWIGINTERN PyObject *_wrap_OBResidueAtomIter_GetNewBondVector(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -81963,7 +80205,7 @@ fail: SWIGINTERN PyObject *_wrap_OBResidueAtomIter_BeginBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -81975,7 +80217,7 @@ SWIGINTERN PyObject *_wrap_OBResidueAtomIter_BeginBonds(PyObject *SWIGUNUSEDPARM } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -81985,7 +80227,7 @@ fail: SWIGINTERN PyObject *_wrap_OBResidueAtomIter_EndBonds(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - SwigValueWrapper >::iterator > result; + SwigValueWrapper >::iterator > result; void *argp1 = 0 ; int res1 = 0 ; PyObject * obj0 = 0 ; @@ -81997,7 +80239,7 @@ SWIGINTERN PyObject *_wrap_OBResidueAtomIter_EndBonds(PyObject *SWIGUNUSEDPARM(s } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->EndBonds(); - resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); + resultobj = SWIG_NewPointerObj((new std::vector >::iterator(static_cast< const std::vector >::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN | 0 ); return resultobj; fail: return NULL; @@ -82007,7 +80249,7 @@ fail: SWIGINTERN PyObject *_wrap_OBResidueAtomIter_BeginBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -82022,14 +80264,14 @@ SWIGINTERN PyObject *_wrap_OBResidueAtomIter_BeginBond(PyObject *SWIGUNUSEDPARM( SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -82041,7 +80283,7 @@ fail: SWIGINTERN PyObject *_wrap_OBResidueAtomIter_NextBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -82056,14 +80298,14 @@ SWIGINTERN PyObject *_wrap_OBResidueAtomIter_NextBond(PyObject *SWIGUNUSEDPARM(s SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return resultobj; @@ -82075,7 +80317,7 @@ fail: SWIGINTERN PyObject *_wrap_OBResidueAtomIter_BeginNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -82090,14 +80332,14 @@ SWIGINTERN PyObject *_wrap_OBResidueAtomIter_BeginNbrAtom(PyObject *SWIGUNUSEDPA SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -82109,7 +80351,7 @@ fail: SWIGINTERN PyObject *_wrap_OBResidueAtomIter_NextNbrAtom(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -82124,14 +80366,14 @@ SWIGINTERN PyObject *_wrap_OBResidueAtomIter_NextNbrAtom(PyObject *SWIGUNUSEDPAR SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return resultobj; @@ -82460,7 +80702,7 @@ fail: SWIGINTERN PyObject *_wrap_OBResidueAtomIter_InsertBond(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector >::iterator *arg2 = 0 ; + std::vector >::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -82478,14 +80720,14 @@ SWIGINTERN PyObject *_wrap_OBResidueAtomIter_InsertBond(PyObject *SWIGUNUSEDPARM SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(obj1, &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "std::vector >::iterator &""'"); } - arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector >::iterator * >(argp2); res3 = SWIG_ConvertPtr(obj2, &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -84001,254 +82243,6 @@ fail: } -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_Visit_set(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_Visit_set",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_Visit_get(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_Visit_get",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_GetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_GetParent",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_SetParent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_SetParent",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_AddEdge(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_AddEdge",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_AddEdge" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_Error(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_Error",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Error" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int(obj1, &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_SetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_SetMatch",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetMatch" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - resultobj = SWIG_Py_Void(); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_Eval(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - PyObject * obj0 = 0 ; - PyObject * obj1 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_Eval",2,2,&obj0,&obj1)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Eval" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(obj1, &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - resultobj = SWIG_From_bool(static_cast< bool >(result)); - return resultobj; -fail: - return NULL; -} - - -SWIGINTERN PyObject *_wrap_OBResidueAtomIter_GetMatch(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { - PyObject *resultobj = 0; - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - PyObject * obj0 = 0 ; - - if(!PyArg_UnpackTuple(args,(char *)"OBResidueAtomIter_GetMatch",1,1,&obj0)) SWIG_fail; - res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetMatch" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return resultobj; -fail: - return NULL; -} - - SWIGINTERN PyObject *_wrap_OBResidueAtomIter_DoTransformations(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -85568,67 +83562,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"new_OBBase", _wrap_new_OBBase, METH_VARARGS, NULL}, { (char *)"OBBase_swigregister", OBBase_swigregister, METH_VARARGS, NULL}, { (char *)"OBBase_swiginit", OBBase_swiginit, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_Visit_set", _wrap_OBNodeBase_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_Visit_get", _wrap_OBNodeBase_Visit_get, METH_VARARGS, NULL}, - { (char *)"new_OBNodeBase", _wrap_new_OBNodeBase, METH_VARARGS, NULL}, - { (char *)"delete_OBNodeBase", _wrap_delete_OBNodeBase, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetIdx", _wrap_OBNodeBase_GetIdx, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_SetIdx", _wrap_OBNodeBase_SetIdx, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetParent", _wrap_OBNodeBase_GetParent, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_SetParent", _wrap_OBNodeBase_SetParent, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_AddEdge", _wrap_OBNodeBase_AddEdge, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetValence", _wrap_OBNodeBase_GetValence, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_IsConnected", _wrap_OBNodeBase_IsConnected, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_Error", _wrap_OBNodeBase_Error, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetFormalCharge", _wrap_OBNodeBase_GetFormalCharge, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_ExplicitHydrogenCount", _wrap_OBNodeBase_ExplicitHydrogenCount, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_ImplicitHydrogenCount", _wrap_OBNodeBase_ImplicitHydrogenCount, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetImplicitValence", _wrap_OBNodeBase_GetImplicitValence, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetHvyValence", _wrap_OBNodeBase_GetHvyValence, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_KBOSum", _wrap_OBNodeBase_KBOSum, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetHyb", _wrap_OBNodeBase_GetHyb, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_MemberOfRingCount", _wrap_OBNodeBase_MemberOfRingCount, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetAtomicNum", _wrap_OBNodeBase_GetAtomicNum, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_SetMatch", _wrap_OBNodeBase_SetMatch, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_SetAromatic", _wrap_OBNodeBase_SetAromatic, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_IsInRingSize", _wrap_OBNodeBase_IsInRingSize, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_IsAromatic", _wrap_OBNodeBase_IsAromatic, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_IsInRing", _wrap_OBNodeBase_IsInRing, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_Eval", _wrap_OBNodeBase_Eval, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_GetMatch", _wrap_OBNodeBase_GetMatch, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_swigregister", OBNodeBase_swigregister, METH_VARARGS, NULL}, - { (char *)"OBNodeBase_swiginit", OBNodeBase_swiginit, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_Visit_set", _wrap_OBEdgeBase_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_Visit_get", _wrap_OBEdgeBase_Visit_get, METH_VARARGS, NULL}, - { (char *)"new_OBEdgeBase", _wrap_new_OBEdgeBase, METH_VARARGS, NULL}, - { (char *)"delete_OBEdgeBase", _wrap_delete_OBEdgeBase, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_GetParent", _wrap_OBEdgeBase_GetParent, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_SetParent", _wrap_OBEdgeBase_SetParent, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_GetIdx", _wrap_OBEdgeBase_GetIdx, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_SetIdx", _wrap_OBEdgeBase_SetIdx, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_SetBgn", _wrap_OBEdgeBase_SetBgn, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_SetEnd", _wrap_OBEdgeBase_SetEnd, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_SwapEnds", _wrap_OBEdgeBase_SwapEnds, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_GetBgn", _wrap_OBEdgeBase_GetBgn, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_GetEnd", _wrap_OBEdgeBase_GetEnd, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_Error", _wrap_OBEdgeBase_Error, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_SetClosure", _wrap_OBEdgeBase_SetClosure, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_IsAromatic", _wrap_OBEdgeBase_IsAromatic, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_IsInRing", _wrap_OBEdgeBase_IsInRing, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_IsClosure", _wrap_OBEdgeBase_IsClosure, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_Eval", _wrap_OBEdgeBase_Eval, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_GetBO", _wrap_OBEdgeBase_GetBO, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_swigregister", OBEdgeBase_swigregister, METH_VARARGS, NULL}, - { (char *)"OBEdgeBase_swiginit", OBEdgeBase_swiginit, METH_VARARGS, NULL}, - { (char *)"new_OBGraphBase", _wrap_new_OBGraphBase, METH_VARARGS, NULL}, - { (char *)"delete_OBGraphBase", _wrap_delete_OBGraphBase, METH_VARARGS, NULL}, - { (char *)"OBGraphBase_NumNodes", _wrap_OBGraphBase_NumNodes, METH_VARARGS, NULL}, - { (char *)"OBGraphBase_NumEdges", _wrap_OBGraphBase_NumEdges, METH_VARARGS, NULL}, - { (char *)"OBGraphBase_ResetVisitFlags", _wrap_OBGraphBase_ResetVisitFlags, METH_VARARGS, NULL}, - { (char *)"OBGraphBase_SetVisitLock", _wrap_OBGraphBase_SetVisitLock, METH_VARARGS, NULL}, - { (char *)"OBGraphBase_GetVisitLock", _wrap_OBGraphBase_GetVisitLock, METH_VARARGS, NULL}, - { (char *)"OBGraphBase_swigregister", OBGraphBase_swigregister, METH_VARARGS, NULL}, - { (char *)"OBGraphBase_swiginit", OBGraphBase_swiginit, METH_VARARGS, NULL}, { (char *)"new_OBError", _wrap_new_OBError, METH_VARARGS, NULL}, { (char *)"OBError_message", _wrap_OBError_message, METH_VARARGS, NULL}, { (char *)"OBError_GetMethod", _wrap_OBError_GetMethod, METH_VARARGS, NULL}, @@ -85767,10 +83700,14 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBResidue_GetResidueProperty", _wrap_OBResidue_GetResidueProperty, METH_VARARGS, NULL}, { (char *)"OBResidue_IsHetAtom", _wrap_OBResidue_IsHetAtom, METH_VARARGS, NULL}, { (char *)"OBResidue_IsResidueType", _wrap_OBResidue_IsResidueType, METH_VARARGS, NULL}, + { (char *)"OBResidue_BeginAtoms", _wrap_OBResidue_BeginAtoms, METH_VARARGS, NULL}, + { (char *)"OBResidue_EndAtoms", _wrap_OBResidue_EndAtoms, METH_VARARGS, NULL}, { (char *)"OBResidue_BeginAtom", _wrap_OBResidue_BeginAtom, METH_VARARGS, NULL}, { (char *)"OBResidue_NextAtom", _wrap_OBResidue_NextAtom, METH_VARARGS, NULL}, { (char *)"OBResidue_swigregister", OBResidue_swigregister, METH_VARARGS, NULL}, { (char *)"OBResidue_swiginit", OBResidue_swiginit, METH_VARARGS, NULL}, + { (char *)"OBAtom_Visit_set", _wrap_OBAtom_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBAtom_Visit_get", _wrap_OBAtom_Visit_get, METH_VARARGS, NULL}, { (char *)"new_OBAtom", _wrap_new_OBAtom, METH_VARARGS, NULL}, { (char *)"delete_OBAtom", _wrap_delete_OBAtom, METH_VARARGS, NULL}, { (char *)"OBAtom_Clear", _wrap_OBAtom_Clear, METH_VARARGS, NULL}, @@ -85788,6 +83725,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtom_SetCoordPtr", _wrap_OBAtom_SetCoordPtr, METH_VARARGS, NULL}, { (char *)"OBAtom_SetVector", _wrap_OBAtom_SetVector, METH_VARARGS, NULL}, { (char *)"OBAtom_SetResidue", _wrap_OBAtom_SetResidue, METH_VARARGS, NULL}, + { (char *)"OBAtom_SetParent", _wrap_OBAtom_SetParent, METH_VARARGS, NULL}, { (char *)"OBAtom_SetAromatic", _wrap_OBAtom_SetAromatic, METH_VARARGS, NULL}, { (char *)"OBAtom_UnsetAromatic", _wrap_OBAtom_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBAtom_SetClockwiseStereo", _wrap_OBAtom_SetClockwiseStereo, METH_VARARGS, NULL}, @@ -85823,6 +83761,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtom_GetVector", _wrap_OBAtom_GetVector, METH_VARARGS, NULL}, { (char *)"OBAtom_GetPartialCharge", _wrap_OBAtom_GetPartialCharge, METH_VARARGS, NULL}, { (char *)"OBAtom_GetResidue", _wrap_OBAtom_GetResidue, METH_VARARGS, NULL}, + { (char *)"OBAtom_GetParent", _wrap_OBAtom_GetParent, METH_VARARGS, NULL}, { (char *)"OBAtom_GetNewBondVector", _wrap_OBAtom_GetNewBondVector, METH_VARARGS, NULL}, { (char *)"OBAtom_GetBond", _wrap_OBAtom_GetBond, METH_VARARGS, NULL}, { (char *)"OBAtom_GetNextAtom", _wrap_OBAtom_GetNextAtom, METH_VARARGS, NULL}, @@ -85898,12 +83837,15 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtom_MatchesSMARTS", _wrap_OBAtom_MatchesSMARTS, METH_VARARGS, NULL}, { (char *)"OBAtom_swigregister", OBAtom_swigregister, METH_VARARGS, NULL}, { (char *)"OBAtom_swiginit", OBAtom_swiginit, METH_VARARGS, NULL}, + { (char *)"OBBond_Visit_set", _wrap_OBBond_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBBond_Visit_get", _wrap_OBBond_Visit_get, METH_VARARGS, NULL}, { (char *)"new_OBBond", _wrap_new_OBBond, METH_VARARGS, NULL}, { (char *)"delete_OBBond", _wrap_delete_OBBond, METH_VARARGS, NULL}, { (char *)"OBBond_SetIdx", _wrap_OBBond_SetIdx, METH_VARARGS, NULL}, { (char *)"OBBond_SetBO", _wrap_OBBond_SetBO, METH_VARARGS, NULL}, { (char *)"OBBond_SetBegin", _wrap_OBBond_SetBegin, METH_VARARGS, NULL}, { (char *)"OBBond_SetEnd", _wrap_OBBond_SetEnd, METH_VARARGS, NULL}, + { (char *)"OBBond_SetParent", _wrap_OBBond_SetParent, METH_VARARGS, NULL}, { (char *)"OBBond_SetLength", _wrap_OBBond_SetLength, METH_VARARGS, NULL}, { (char *)"OBBond_Set", _wrap_OBBond_Set, METH_VARARGS, NULL}, { (char *)"OBBond_SetKSingle", _wrap_OBBond_SetKSingle, METH_VARARGS, NULL}, @@ -85922,6 +83864,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBBond_UnsetDown", _wrap_OBBond_UnsetDown, METH_VARARGS, NULL}, { (char *)"OBBond_UnsetAromatic", _wrap_OBBond_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBBond_UnsetKekule", _wrap_OBBond_UnsetKekule, METH_VARARGS, NULL}, + { (char *)"OBBond_GetIdx", _wrap_OBBond_GetIdx, METH_VARARGS, NULL}, { (char *)"OBBond_GetBO", _wrap_OBBond_GetBO, METH_VARARGS, NULL}, { (char *)"OBBond_GetBondOrder", _wrap_OBBond_GetBondOrder, METH_VARARGS, NULL}, { (char *)"OBBond_GetFlags", _wrap_OBBond_GetFlags, METH_VARARGS, NULL}, @@ -85930,6 +83873,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBBond_GetBeginAtom", _wrap_OBBond_GetBeginAtom, METH_VARARGS, NULL}, { (char *)"OBBond_GetEndAtom", _wrap_OBBond_GetEndAtom, METH_VARARGS, NULL}, { (char *)"OBBond_GetNbrAtom", _wrap_OBBond_GetNbrAtom, METH_VARARGS, NULL}, + { (char *)"OBBond_GetParent", _wrap_OBBond_GetParent, METH_VARARGS, NULL}, { (char *)"OBBond_GetEquibLength", _wrap_OBBond_GetEquibLength, METH_VARARGS, NULL}, { (char *)"OBBond_GetLength", _wrap_OBBond_GetLength, METH_VARARGS, NULL}, { (char *)"OBBond_GetNbrAtomIdx", _wrap_OBBond_GetNbrAtomIdx, METH_VARARGS, NULL}, @@ -86098,6 +84042,12 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMol_BeginConformer", _wrap_OBMol_BeginConformer, METH_VARARGS, NULL}, { (char *)"OBMol_NextConformer", _wrap_OBMol_NextConformer, METH_VARARGS, NULL}, { (char *)"OBMol_GetConformers", _wrap_OBMol_GetConformers, METH_VARARGS, NULL}, + { (char *)"OBMol_BeginAtoms", _wrap_OBMol_BeginAtoms, METH_VARARGS, NULL}, + { (char *)"OBMol_EndAtoms", _wrap_OBMol_EndAtoms, METH_VARARGS, NULL}, + { (char *)"OBMol_BeginBonds", _wrap_OBMol_BeginBonds, METH_VARARGS, NULL}, + { (char *)"OBMol_EndBonds", _wrap_OBMol_EndBonds, METH_VARARGS, NULL}, + { (char *)"OBMol_BeginResidues", _wrap_OBMol_BeginResidues, METH_VARARGS, NULL}, + { (char *)"OBMol_EndResidues", _wrap_OBMol_EndResidues, METH_VARARGS, NULL}, { (char *)"OBMol_BeginAtom", _wrap_OBMol_BeginAtom, METH_VARARGS, NULL}, { (char *)"OBMol_NextAtom", _wrap_OBMol_NextAtom, METH_VARARGS, NULL}, { (char *)"OBMol_BeginBond", _wrap_OBMol_BeginBond, METH_VARARGS, NULL}, @@ -86185,6 +84135,8 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomIter_deref", _wrap_OBMolAtomIter_deref, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter___ref__", _wrap_OBMolAtomIter___ref__, METH_VARARGS, NULL}, { (char *)"delete_OBMolAtomIter", _wrap_delete_OBMolAtomIter, METH_VARARGS, NULL}, + { (char *)"OBMolAtomIter_Visit_set", _wrap_OBMolAtomIter_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBMolAtomIter_Visit_get", _wrap_OBMolAtomIter_Visit_get, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_Clear", _wrap_OBMolAtomIter_Clear, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_SetIdx", _wrap_OBMolAtomIter_SetIdx, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_SetHyb", _wrap_OBMolAtomIter_SetHyb, METH_VARARGS, NULL}, @@ -86200,6 +84152,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomIter_SetVector", _wrap_OBMolAtomIter_SetVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_SetCoordPtr", _wrap_OBMolAtomIter_SetCoordPtr, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_SetResidue", _wrap_OBMolAtomIter_SetResidue, METH_VARARGS, NULL}, + { (char *)"OBMolAtomIter_SetParent", _wrap_OBMolAtomIter_SetParent, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_SetAromatic", _wrap_OBMolAtomIter_SetAromatic, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_UnsetAromatic", _wrap_OBMolAtomIter_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_SetClockwiseStereo", _wrap_OBMolAtomIter_SetClockwiseStereo, METH_VARARGS, NULL}, @@ -86235,6 +84188,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomIter_GetVector", _wrap_OBMolAtomIter_GetVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_GetPartialCharge", _wrap_OBMolAtomIter_GetPartialCharge, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_GetResidue", _wrap_OBMolAtomIter_GetResidue, METH_VARARGS, NULL}, + { (char *)"OBMolAtomIter_GetParent", _wrap_OBMolAtomIter_GetParent, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_GetNewBondVector", _wrap_OBMolAtomIter_GetNewBondVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_GetBond", _wrap_OBMolAtomIter_GetBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_GetNextAtom", _wrap_OBMolAtomIter_GetNextAtom, METH_VARARGS, NULL}, @@ -86308,15 +84262,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomIter_HasDoubleBond", _wrap_OBMolAtomIter_HasDoubleBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_HasAromaticBond", _wrap_OBMolAtomIter_HasAromaticBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_MatchesSMARTS", _wrap_OBMolAtomIter_MatchesSMARTS, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_Visit_set", _wrap_OBMolAtomIter_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_Visit_get", _wrap_OBMolAtomIter_Visit_get, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_GetParent", _wrap_OBMolAtomIter_GetParent, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_SetParent", _wrap_OBMolAtomIter_SetParent, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_AddEdge", _wrap_OBMolAtomIter_AddEdge, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_Error", _wrap_OBMolAtomIter_Error, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_SetMatch", _wrap_OBMolAtomIter_SetMatch, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_Eval", _wrap_OBMolAtomIter_Eval, METH_VARARGS, NULL}, - { (char *)"OBMolAtomIter_GetMatch", _wrap_OBMolAtomIter_GetMatch, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_DoTransformations", _wrap_OBMolAtomIter_DoTransformations, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_ClassDescription", _wrap_OBMolAtomIter_ClassDescription, METH_VARARGS, NULL}, { (char *)"OBMolAtomIter_HasData", _wrap_OBMolAtomIter_HasData, METH_VARARGS, NULL}, @@ -86332,6 +84277,8 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomDFSIter___deref__", _wrap_OBMolAtomDFSIter___deref__, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter___ref__", _wrap_OBMolAtomDFSIter___ref__, METH_VARARGS, NULL}, { (char *)"delete_OBMolAtomDFSIter", _wrap_delete_OBMolAtomDFSIter, METH_VARARGS, NULL}, + { (char *)"OBMolAtomDFSIter_Visit_set", _wrap_OBMolAtomDFSIter_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBMolAtomDFSIter_Visit_get", _wrap_OBMolAtomDFSIter_Visit_get, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_Clear", _wrap_OBMolAtomDFSIter_Clear, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_SetIdx", _wrap_OBMolAtomDFSIter_SetIdx, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_SetHyb", _wrap_OBMolAtomDFSIter_SetHyb, METH_VARARGS, NULL}, @@ -86347,6 +84294,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomDFSIter_SetVector", _wrap_OBMolAtomDFSIter_SetVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_SetCoordPtr", _wrap_OBMolAtomDFSIter_SetCoordPtr, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_SetResidue", _wrap_OBMolAtomDFSIter_SetResidue, METH_VARARGS, NULL}, + { (char *)"OBMolAtomDFSIter_SetParent", _wrap_OBMolAtomDFSIter_SetParent, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_SetAromatic", _wrap_OBMolAtomDFSIter_SetAromatic, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_UnsetAromatic", _wrap_OBMolAtomDFSIter_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_SetClockwiseStereo", _wrap_OBMolAtomDFSIter_SetClockwiseStereo, METH_VARARGS, NULL}, @@ -86382,6 +84330,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomDFSIter_GetVector", _wrap_OBMolAtomDFSIter_GetVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_GetPartialCharge", _wrap_OBMolAtomDFSIter_GetPartialCharge, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_GetResidue", _wrap_OBMolAtomDFSIter_GetResidue, METH_VARARGS, NULL}, + { (char *)"OBMolAtomDFSIter_GetParent", _wrap_OBMolAtomDFSIter_GetParent, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_GetNewBondVector", _wrap_OBMolAtomDFSIter_GetNewBondVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_GetBond", _wrap_OBMolAtomDFSIter_GetBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_GetNextAtom", _wrap_OBMolAtomDFSIter_GetNextAtom, METH_VARARGS, NULL}, @@ -86455,15 +84404,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomDFSIter_HasDoubleBond", _wrap_OBMolAtomDFSIter_HasDoubleBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_HasAromaticBond", _wrap_OBMolAtomDFSIter_HasAromaticBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_MatchesSMARTS", _wrap_OBMolAtomDFSIter_MatchesSMARTS, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_Visit_set", _wrap_OBMolAtomDFSIter_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_Visit_get", _wrap_OBMolAtomDFSIter_Visit_get, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_GetParent", _wrap_OBMolAtomDFSIter_GetParent, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_SetParent", _wrap_OBMolAtomDFSIter_SetParent, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_AddEdge", _wrap_OBMolAtomDFSIter_AddEdge, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_Error", _wrap_OBMolAtomDFSIter_Error, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_SetMatch", _wrap_OBMolAtomDFSIter_SetMatch, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_Eval", _wrap_OBMolAtomDFSIter_Eval, METH_VARARGS, NULL}, - { (char *)"OBMolAtomDFSIter_GetMatch", _wrap_OBMolAtomDFSIter_GetMatch, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_DoTransformations", _wrap_OBMolAtomDFSIter_DoTransformations, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_ClassDescription", _wrap_OBMolAtomDFSIter_ClassDescription, METH_VARARGS, NULL}, { (char *)"OBMolAtomDFSIter_HasData", _wrap_OBMolAtomDFSIter_HasData, METH_VARARGS, NULL}, @@ -86479,6 +84419,8 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomBFSIter___deref__", _wrap_OBMolAtomBFSIter___deref__, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter___ref__", _wrap_OBMolAtomBFSIter___ref__, METH_VARARGS, NULL}, { (char *)"delete_OBMolAtomBFSIter", _wrap_delete_OBMolAtomBFSIter, METH_VARARGS, NULL}, + { (char *)"OBMolAtomBFSIter_Visit_set", _wrap_OBMolAtomBFSIter_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBMolAtomBFSIter_Visit_get", _wrap_OBMolAtomBFSIter_Visit_get, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_Clear", _wrap_OBMolAtomBFSIter_Clear, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_SetIdx", _wrap_OBMolAtomBFSIter_SetIdx, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_SetHyb", _wrap_OBMolAtomBFSIter_SetHyb, METH_VARARGS, NULL}, @@ -86494,6 +84436,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomBFSIter_SetVector", _wrap_OBMolAtomBFSIter_SetVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_SetCoordPtr", _wrap_OBMolAtomBFSIter_SetCoordPtr, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_SetResidue", _wrap_OBMolAtomBFSIter_SetResidue, METH_VARARGS, NULL}, + { (char *)"OBMolAtomBFSIter_SetParent", _wrap_OBMolAtomBFSIter_SetParent, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_SetAromatic", _wrap_OBMolAtomBFSIter_SetAromatic, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_UnsetAromatic", _wrap_OBMolAtomBFSIter_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_SetClockwiseStereo", _wrap_OBMolAtomBFSIter_SetClockwiseStereo, METH_VARARGS, NULL}, @@ -86529,6 +84472,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomBFSIter_GetVector", _wrap_OBMolAtomBFSIter_GetVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_GetPartialCharge", _wrap_OBMolAtomBFSIter_GetPartialCharge, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_GetResidue", _wrap_OBMolAtomBFSIter_GetResidue, METH_VARARGS, NULL}, + { (char *)"OBMolAtomBFSIter_GetParent", _wrap_OBMolAtomBFSIter_GetParent, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_GetNewBondVector", _wrap_OBMolAtomBFSIter_GetNewBondVector, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_GetBond", _wrap_OBMolAtomBFSIter_GetBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_GetNextAtom", _wrap_OBMolAtomBFSIter_GetNextAtom, METH_VARARGS, NULL}, @@ -86602,15 +84546,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolAtomBFSIter_HasDoubleBond", _wrap_OBMolAtomBFSIter_HasDoubleBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_HasAromaticBond", _wrap_OBMolAtomBFSIter_HasAromaticBond, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_MatchesSMARTS", _wrap_OBMolAtomBFSIter_MatchesSMARTS, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_Visit_set", _wrap_OBMolAtomBFSIter_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_Visit_get", _wrap_OBMolAtomBFSIter_Visit_get, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_GetParent", _wrap_OBMolAtomBFSIter_GetParent, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_SetParent", _wrap_OBMolAtomBFSIter_SetParent, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_AddEdge", _wrap_OBMolAtomBFSIter_AddEdge, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_Error", _wrap_OBMolAtomBFSIter_Error, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_SetMatch", _wrap_OBMolAtomBFSIter_SetMatch, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_Eval", _wrap_OBMolAtomBFSIter_Eval, METH_VARARGS, NULL}, - { (char *)"OBMolAtomBFSIter_GetMatch", _wrap_OBMolAtomBFSIter_GetMatch, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_DoTransformations", _wrap_OBMolAtomBFSIter_DoTransformations, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_ClassDescription", _wrap_OBMolAtomBFSIter_ClassDescription, METH_VARARGS, NULL}, { (char *)"OBMolAtomBFSIter_HasData", _wrap_OBMolAtomBFSIter_HasData, METH_VARARGS, NULL}, @@ -86628,10 +84563,13 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolBondIter_deref", _wrap_OBMolBondIter_deref, METH_VARARGS, NULL}, { (char *)"OBMolBondIter___ref__", _wrap_OBMolBondIter___ref__, METH_VARARGS, NULL}, { (char *)"delete_OBMolBondIter", _wrap_delete_OBMolBondIter, METH_VARARGS, NULL}, + { (char *)"OBMolBondIter_Visit_set", _wrap_OBMolBondIter_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBMolBondIter_Visit_get", _wrap_OBMolBondIter_Visit_get, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_SetIdx", _wrap_OBMolBondIter_SetIdx, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_SetBO", _wrap_OBMolBondIter_SetBO, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_SetBegin", _wrap_OBMolBondIter_SetBegin, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_SetEnd", _wrap_OBMolBondIter_SetEnd, METH_VARARGS, NULL}, + { (char *)"OBMolBondIter_SetParent", _wrap_OBMolBondIter_SetParent, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_SetLength", _wrap_OBMolBondIter_SetLength, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_Set", _wrap_OBMolBondIter_Set, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_SetKSingle", _wrap_OBMolBondIter_SetKSingle, METH_VARARGS, NULL}, @@ -86650,6 +84588,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolBondIter_UnsetDown", _wrap_OBMolBondIter_UnsetDown, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_UnsetAromatic", _wrap_OBMolBondIter_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_UnsetKekule", _wrap_OBMolBondIter_UnsetKekule, METH_VARARGS, NULL}, + { (char *)"OBMolBondIter_GetIdx", _wrap_OBMolBondIter_GetIdx, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetBO", _wrap_OBMolBondIter_GetBO, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetBondOrder", _wrap_OBMolBondIter_GetBondOrder, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetFlags", _wrap_OBMolBondIter_GetFlags, METH_VARARGS, NULL}, @@ -86658,6 +84597,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolBondIter_GetBeginAtom", _wrap_OBMolBondIter_GetBeginAtom, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetEndAtom", _wrap_OBMolBondIter_GetEndAtom, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetNbrAtom", _wrap_OBMolBondIter_GetNbrAtom, METH_VARARGS, NULL}, + { (char *)"OBMolBondIter_GetParent", _wrap_OBMolBondIter_GetParent, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetEquibLength", _wrap_OBMolBondIter_GetEquibLength, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetLength", _wrap_OBMolBondIter_GetLength, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_GetNbrAtomIdx", _wrap_OBMolBondIter_GetNbrAtomIdx, METH_VARARGS, NULL}, @@ -86681,17 +84621,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBMolBondIter_IsWedge", _wrap_OBMolBondIter_IsWedge, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_IsHash", _wrap_OBMolBondIter_IsHash, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_IsDoubleBondGeometry", _wrap_OBMolBondIter_IsDoubleBondGeometry, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_Visit_set", _wrap_OBMolBondIter_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_Visit_get", _wrap_OBMolBondIter_Visit_get, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_GetParent", _wrap_OBMolBondIter_GetParent, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_SetParent", _wrap_OBMolBondIter_SetParent, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_GetIdx", _wrap_OBMolBondIter_GetIdx, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_SetBgn", _wrap_OBMolBondIter_SetBgn, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_SwapEnds", _wrap_OBMolBondIter_SwapEnds, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_GetBgn", _wrap_OBMolBondIter_GetBgn, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_GetEnd", _wrap_OBMolBondIter_GetEnd, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_Error", _wrap_OBMolBondIter_Error, METH_VARARGS, NULL}, - { (char *)"OBMolBondIter_Eval", _wrap_OBMolBondIter_Eval, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_DoTransformations", _wrap_OBMolBondIter_DoTransformations, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_ClassDescription", _wrap_OBMolBondIter_ClassDescription, METH_VARARGS, NULL}, { (char *)"OBMolBondIter_HasData", _wrap_OBMolBondIter_HasData, METH_VARARGS, NULL}, @@ -86709,6 +84638,8 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomAtomIter_deref", _wrap_OBAtomAtomIter_deref, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter___ref__", _wrap_OBAtomAtomIter___ref__, METH_VARARGS, NULL}, { (char *)"delete_OBAtomAtomIter", _wrap_delete_OBAtomAtomIter, METH_VARARGS, NULL}, + { (char *)"OBAtomAtomIter_Visit_set", _wrap_OBAtomAtomIter_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBAtomAtomIter_Visit_get", _wrap_OBAtomAtomIter_Visit_get, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_Clear", _wrap_OBAtomAtomIter_Clear, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_SetIdx", _wrap_OBAtomAtomIter_SetIdx, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_SetHyb", _wrap_OBAtomAtomIter_SetHyb, METH_VARARGS, NULL}, @@ -86724,6 +84655,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomAtomIter_SetVector", _wrap_OBAtomAtomIter_SetVector, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_SetCoordPtr", _wrap_OBAtomAtomIter_SetCoordPtr, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_SetResidue", _wrap_OBAtomAtomIter_SetResidue, METH_VARARGS, NULL}, + { (char *)"OBAtomAtomIter_SetParent", _wrap_OBAtomAtomIter_SetParent, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_SetAromatic", _wrap_OBAtomAtomIter_SetAromatic, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_UnsetAromatic", _wrap_OBAtomAtomIter_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_SetClockwiseStereo", _wrap_OBAtomAtomIter_SetClockwiseStereo, METH_VARARGS, NULL}, @@ -86759,6 +84691,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomAtomIter_GetVector", _wrap_OBAtomAtomIter_GetVector, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_GetPartialCharge", _wrap_OBAtomAtomIter_GetPartialCharge, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_GetResidue", _wrap_OBAtomAtomIter_GetResidue, METH_VARARGS, NULL}, + { (char *)"OBAtomAtomIter_GetParent", _wrap_OBAtomAtomIter_GetParent, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_GetNewBondVector", _wrap_OBAtomAtomIter_GetNewBondVector, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_GetBond", _wrap_OBAtomAtomIter_GetBond, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_GetNextAtom", _wrap_OBAtomAtomIter_GetNextAtom, METH_VARARGS, NULL}, @@ -86832,15 +84765,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomAtomIter_HasDoubleBond", _wrap_OBAtomAtomIter_HasDoubleBond, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_HasAromaticBond", _wrap_OBAtomAtomIter_HasAromaticBond, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_MatchesSMARTS", _wrap_OBAtomAtomIter_MatchesSMARTS, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_Visit_set", _wrap_OBAtomAtomIter_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_Visit_get", _wrap_OBAtomAtomIter_Visit_get, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_GetParent", _wrap_OBAtomAtomIter_GetParent, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_SetParent", _wrap_OBAtomAtomIter_SetParent, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_AddEdge", _wrap_OBAtomAtomIter_AddEdge, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_Error", _wrap_OBAtomAtomIter_Error, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_SetMatch", _wrap_OBAtomAtomIter_SetMatch, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_Eval", _wrap_OBAtomAtomIter_Eval, METH_VARARGS, NULL}, - { (char *)"OBAtomAtomIter_GetMatch", _wrap_OBAtomAtomIter_GetMatch, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_DoTransformations", _wrap_OBAtomAtomIter_DoTransformations, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_ClassDescription", _wrap_OBAtomAtomIter_ClassDescription, METH_VARARGS, NULL}, { (char *)"OBAtomAtomIter_HasData", _wrap_OBAtomAtomIter_HasData, METH_VARARGS, NULL}, @@ -86858,10 +84782,13 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomBondIter_deref", _wrap_OBAtomBondIter_deref, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter___ref__", _wrap_OBAtomBondIter___ref__, METH_VARARGS, NULL}, { (char *)"delete_OBAtomBondIter", _wrap_delete_OBAtomBondIter, METH_VARARGS, NULL}, + { (char *)"OBAtomBondIter_Visit_set", _wrap_OBAtomBondIter_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBAtomBondIter_Visit_get", _wrap_OBAtomBondIter_Visit_get, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_SetIdx", _wrap_OBAtomBondIter_SetIdx, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_SetBO", _wrap_OBAtomBondIter_SetBO, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_SetBegin", _wrap_OBAtomBondIter_SetBegin, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_SetEnd", _wrap_OBAtomBondIter_SetEnd, METH_VARARGS, NULL}, + { (char *)"OBAtomBondIter_SetParent", _wrap_OBAtomBondIter_SetParent, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_SetLength", _wrap_OBAtomBondIter_SetLength, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_Set", _wrap_OBAtomBondIter_Set, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_SetKSingle", _wrap_OBAtomBondIter_SetKSingle, METH_VARARGS, NULL}, @@ -86880,6 +84807,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomBondIter_UnsetDown", _wrap_OBAtomBondIter_UnsetDown, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_UnsetAromatic", _wrap_OBAtomBondIter_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_UnsetKekule", _wrap_OBAtomBondIter_UnsetKekule, METH_VARARGS, NULL}, + { (char *)"OBAtomBondIter_GetIdx", _wrap_OBAtomBondIter_GetIdx, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetBO", _wrap_OBAtomBondIter_GetBO, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetBondOrder", _wrap_OBAtomBondIter_GetBondOrder, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetFlags", _wrap_OBAtomBondIter_GetFlags, METH_VARARGS, NULL}, @@ -86888,6 +84816,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomBondIter_GetBeginAtom", _wrap_OBAtomBondIter_GetBeginAtom, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetEndAtom", _wrap_OBAtomBondIter_GetEndAtom, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetNbrAtom", _wrap_OBAtomBondIter_GetNbrAtom, METH_VARARGS, NULL}, + { (char *)"OBAtomBondIter_GetParent", _wrap_OBAtomBondIter_GetParent, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetEquibLength", _wrap_OBAtomBondIter_GetEquibLength, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetLength", _wrap_OBAtomBondIter_GetLength, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_GetNbrAtomIdx", _wrap_OBAtomBondIter_GetNbrAtomIdx, METH_VARARGS, NULL}, @@ -86911,17 +84840,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBAtomBondIter_IsWedge", _wrap_OBAtomBondIter_IsWedge, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_IsHash", _wrap_OBAtomBondIter_IsHash, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_IsDoubleBondGeometry", _wrap_OBAtomBondIter_IsDoubleBondGeometry, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_Visit_set", _wrap_OBAtomBondIter_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_Visit_get", _wrap_OBAtomBondIter_Visit_get, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_GetParent", _wrap_OBAtomBondIter_GetParent, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_SetParent", _wrap_OBAtomBondIter_SetParent, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_GetIdx", _wrap_OBAtomBondIter_GetIdx, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_SetBgn", _wrap_OBAtomBondIter_SetBgn, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_SwapEnds", _wrap_OBAtomBondIter_SwapEnds, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_GetBgn", _wrap_OBAtomBondIter_GetBgn, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_GetEnd", _wrap_OBAtomBondIter_GetEnd, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_Error", _wrap_OBAtomBondIter_Error, METH_VARARGS, NULL}, - { (char *)"OBAtomBondIter_Eval", _wrap_OBAtomBondIter_Eval, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_DoTransformations", _wrap_OBAtomBondIter_DoTransformations, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_ClassDescription", _wrap_OBAtomBondIter_ClassDescription, METH_VARARGS, NULL}, { (char *)"OBAtomBondIter_HasData", _wrap_OBAtomBondIter_HasData, METH_VARARGS, NULL}, @@ -86967,6 +84885,8 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBResidueIter_GetResidueProperty", _wrap_OBResidueIter_GetResidueProperty, METH_VARARGS, NULL}, { (char *)"OBResidueIter_IsHetAtom", _wrap_OBResidueIter_IsHetAtom, METH_VARARGS, NULL}, { (char *)"OBResidueIter_IsResidueType", _wrap_OBResidueIter_IsResidueType, METH_VARARGS, NULL}, + { (char *)"OBResidueIter_BeginAtoms", _wrap_OBResidueIter_BeginAtoms, METH_VARARGS, NULL}, + { (char *)"OBResidueIter_EndAtoms", _wrap_OBResidueIter_EndAtoms, METH_VARARGS, NULL}, { (char *)"OBResidueIter_BeginAtom", _wrap_OBResidueIter_BeginAtom, METH_VARARGS, NULL}, { (char *)"OBResidueIter_NextAtom", _wrap_OBResidueIter_NextAtom, METH_VARARGS, NULL}, { (char *)"OBResidueIter_DoTransformations", _wrap_OBResidueIter_DoTransformations, METH_VARARGS, NULL}, @@ -86986,6 +84906,8 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBResidueAtomIter_deref", _wrap_OBResidueAtomIter_deref, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter___ref__", _wrap_OBResidueAtomIter___ref__, METH_VARARGS, NULL}, { (char *)"delete_OBResidueAtomIter", _wrap_delete_OBResidueAtomIter, METH_VARARGS, NULL}, + { (char *)"OBResidueAtomIter_Visit_set", _wrap_OBResidueAtomIter_Visit_set, METH_VARARGS, NULL}, + { (char *)"OBResidueAtomIter_Visit_get", _wrap_OBResidueAtomIter_Visit_get, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_Clear", _wrap_OBResidueAtomIter_Clear, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_SetIdx", _wrap_OBResidueAtomIter_SetIdx, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_SetHyb", _wrap_OBResidueAtomIter_SetHyb, METH_VARARGS, NULL}, @@ -87001,6 +84923,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBResidueAtomIter_SetVector", _wrap_OBResidueAtomIter_SetVector, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_SetCoordPtr", _wrap_OBResidueAtomIter_SetCoordPtr, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_SetResidue", _wrap_OBResidueAtomIter_SetResidue, METH_VARARGS, NULL}, + { (char *)"OBResidueAtomIter_SetParent", _wrap_OBResidueAtomIter_SetParent, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_SetAromatic", _wrap_OBResidueAtomIter_SetAromatic, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_UnsetAromatic", _wrap_OBResidueAtomIter_UnsetAromatic, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_SetClockwiseStereo", _wrap_OBResidueAtomIter_SetClockwiseStereo, METH_VARARGS, NULL}, @@ -87036,6 +84959,7 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBResidueAtomIter_GetVector", _wrap_OBResidueAtomIter_GetVector, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_GetPartialCharge", _wrap_OBResidueAtomIter_GetPartialCharge, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_GetResidue", _wrap_OBResidueAtomIter_GetResidue, METH_VARARGS, NULL}, + { (char *)"OBResidueAtomIter_GetParent", _wrap_OBResidueAtomIter_GetParent, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_GetNewBondVector", _wrap_OBResidueAtomIter_GetNewBondVector, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_GetBond", _wrap_OBResidueAtomIter_GetBond, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_GetNextAtom", _wrap_OBResidueAtomIter_GetNextAtom, METH_VARARGS, NULL}, @@ -87109,15 +85033,6 @@ static PyMethodDef SwigMethods[] = { { (char *)"OBResidueAtomIter_HasDoubleBond", _wrap_OBResidueAtomIter_HasDoubleBond, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_HasAromaticBond", _wrap_OBResidueAtomIter_HasAromaticBond, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_MatchesSMARTS", _wrap_OBResidueAtomIter_MatchesSMARTS, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_Visit_set", _wrap_OBResidueAtomIter_Visit_set, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_Visit_get", _wrap_OBResidueAtomIter_Visit_get, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_GetParent", _wrap_OBResidueAtomIter_GetParent, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_SetParent", _wrap_OBResidueAtomIter_SetParent, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_AddEdge", _wrap_OBResidueAtomIter_AddEdge, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_Error", _wrap_OBResidueAtomIter_Error, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_SetMatch", _wrap_OBResidueAtomIter_SetMatch, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_Eval", _wrap_OBResidueAtomIter_Eval, METH_VARARGS, NULL}, - { (char *)"OBResidueAtomIter_GetMatch", _wrap_OBResidueAtomIter_GetMatch, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_DoTransformations", _wrap_OBResidueAtomIter_DoTransformations, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_ClassDescription", _wrap_OBResidueAtomIter_ClassDescription, METH_VARARGS, NULL}, { (char *)"OBResidueAtomIter_HasData", _wrap_OBResidueAtomIter_HasData, METH_VARARGS, NULL}, @@ -87153,35 +85068,17 @@ static void *_p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase(void *x) static void *_p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase(void *x) { return (void *)((OpenBabel::OBGlobalDataBase *) ((OpenBabel::OBElementTable *) x)); } -static void *_p_OpenBabel__OBMolTo_p_OpenBabel__OBGraphBase(void *x) { - return (void *)((OpenBabel::OBGraphBase *) ((OpenBabel::OBMol *) x)); -} -static void *_p_OpenBabel__OBAtomTo_p_OpenBabel__OBNodeBase(void *x) { - return (void *)((OpenBabel::OBNodeBase *) ((OpenBabel::OBAtom *) x)); -} static void *_p_OpenBabel__OBMolTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBGraphBase *) ((OpenBabel::OBMol *) x)); -} -static void *_p_OpenBabel__OBNodeBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBNodeBase *) x)); -} -static void *_p_OpenBabel__OBEdgeBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBEdgeBase *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBMol *) x)); } static void *_p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase(void *x) { return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBResidue *) x)); } -static void *_p_OpenBabel__OBGraphBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBGraphBase *) x)); -} static void *_p_OpenBabel__OBBondTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBEdgeBase *) ((OpenBabel::OBBond *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBBond *) x)); } static void *_p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBNodeBase *) ((OpenBabel::OBAtom *) x)); -} -static void *_p_OpenBabel__OBBondTo_p_OpenBabel__OBEdgeBase(void *x) { - return (void *)((OpenBabel::OBEdgeBase *) ((OpenBabel::OBBond *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBAtom *) x)); } static void *_p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData(void *x) { return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSymmetryData *) x)); @@ -87240,7 +85137,6 @@ static swig_type_info _swigt__p_OpenBabel__OBChiralData = {"_p_OpenBabel__OBChir static swig_type_info _swigt__p_OpenBabel__OBCommentData = {"_p_OpenBabel__OBCommentData", "OpenBabel::OBCommentData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBConformerData = {"_p_OpenBabel__OBConformerData", "OpenBabel::OBConformerData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBConversion = {"_p_OpenBabel__OBConversion", "OpenBabel::OBConversion *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_OpenBabel__OBEdgeBase = {"_p_OpenBabel__OBEdgeBase", "OpenBabel::OBEdgeBase *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBElement = {"_p_OpenBabel__OBElement", "OpenBabel::OBElement *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBElementTable = {"_p_OpenBabel__OBElementTable", "OpenBabel::OBElementTable *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBError = {"_p_OpenBabel__OBError", "OpenBabel::OBError *", 0, 0, (void*)0, 0}; @@ -87249,7 +85145,6 @@ static swig_type_info _swigt__p_OpenBabel__OBExternalBondData = {"_p_OpenBabel__ static swig_type_info _swigt__p_OpenBabel__OBFormat = {"_p_OpenBabel__OBFormat", "OpenBabel::OBFormat *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBGenericData = {"_p_OpenBabel__OBGenericData", "OpenBabel::OBGenericData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBGlobalDataBase = {"_p_OpenBabel__OBGlobalDataBase", "OpenBabel::OBGlobalDataBase *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_OpenBabel__OBGraphBase = {"_p_OpenBabel__OBGraphBase", "OpenBabel::OBGraphBase *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBInternalCoord = {"_p_OpenBabel__OBInternalCoord", "OpenBabel::OBInternalCoord *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBIsotopeTable = {"_p_OpenBabel__OBIsotopeTable", "OpenBabel::OBIsotopeTable *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBMessageHandler = {"_p_OpenBabel__OBMessageHandler", "OpenBabel::OBMessageHandler *", 0, 0, (void*)0, 0}; @@ -87258,7 +85153,6 @@ static swig_type_info _swigt__p_OpenBabel__OBMolAtomBFSIter = {"_p_OpenBabel__OB static swig_type_info _swigt__p_OpenBabel__OBMolAtomDFSIter = {"_p_OpenBabel__OBMolAtomDFSIter", "OpenBabel::OBMolAtomDFSIter *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBMolAtomIter = {"_p_OpenBabel__OBMolAtomIter", "OpenBabel::OBMolAtomIter *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBMolBondIter = {"_p_OpenBabel__OBMolBondIter", "OpenBabel::OBMolBondIter *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_OpenBabel__OBNodeBase = {"_p_OpenBabel__OBNodeBase", "OpenBabel::OBNodeBase *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBPairData = {"_p_OpenBabel__OBPairData", "OpenBabel::OBPairData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBRTree = {"_p_OpenBabel__OBRTree", "OpenBabel::OBRTree *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBRandom = {"_p_OpenBabel__OBRandom", "OpenBabel::OBRandom *", 0, 0, (void*)0, 0}; @@ -87317,10 +85211,10 @@ static swig_type_info _swigt__p_std__type_info = {"_p_std__type_info", "std::typ static swig_type_info _swigt__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t = {"_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t", "std::vector > *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator = {"_p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator", "std::vector >::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t = {"_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t", "std::vector > *", 0, 0, (void*)0, 0}; +static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator = {"_p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator", "std::vector >::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t = {"_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t", "std::vector *|std::vector > *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type = {"_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type", "std::allocator *|std::vector::allocator_type *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type = {"_p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type", "OpenBabel::OBBond *|std::vector::value_type *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator = {"_p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator", "std::vector >::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t = {"_p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t", "std::vector > *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t = {"_p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t", "std::vector > *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type = {"_p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type", "std::allocator *|std::vector::allocator_type *", 0, 0, (void*)0, 0}; @@ -87329,8 +85223,6 @@ static swig_type_info _swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_std__al static swig_type_info _swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t = {"_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t", "std::vector *|std::vector > *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type = {"_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type", "std::allocator *|std::vector::allocator_type *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type = {"_p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type", "OpenBabel::OBMol *|std::vector::value_type *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t = {"_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t", "std::vector > *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator = {"_p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator", "std::vector >::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator = {"_p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator", "std::vector >::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t = {"_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t", "std::vector *|std::vector > *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type = {"_p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type", "std::allocator *|std::vector::allocator_type *", 0, 0, (void*)0, 0}; @@ -87384,7 +85276,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBCommentData, &_swigt__p_OpenBabel__OBConformerData, &_swigt__p_OpenBabel__OBConversion, - &_swigt__p_OpenBabel__OBEdgeBase, &_swigt__p_OpenBabel__OBElement, &_swigt__p_OpenBabel__OBElementTable, &_swigt__p_OpenBabel__OBError, @@ -87393,7 +85284,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBFormat, &_swigt__p_OpenBabel__OBGenericData, &_swigt__p_OpenBabel__OBGlobalDataBase, - &_swigt__p_OpenBabel__OBGraphBase, &_swigt__p_OpenBabel__OBInternalCoord, &_swigt__p_OpenBabel__OBIsotopeTable, &_swigt__p_OpenBabel__OBMessageHandler, @@ -87402,7 +85292,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBMolAtomDFSIter, &_swigt__p_OpenBabel__OBMolAtomIter, &_swigt__p_OpenBabel__OBMolBondIter, - &_swigt__p_OpenBabel__OBNodeBase, &_swigt__p_OpenBabel__OBPairData, &_swigt__p_OpenBabel__OBRTree, &_swigt__p_OpenBabel__OBRandom, @@ -87461,10 +85350,10 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t, &_swigt__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t, + &_swigt__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t, &_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type, &_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type, - &_swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t, &_swigt__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t, &_swigt__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type, @@ -87473,8 +85362,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t, &_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type, &_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type, - &_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t, - &_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t, &_swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type, @@ -87520,7 +85407,7 @@ static swig_cast_info _swigc__p_OpenBabel__OBAtom[] = { {&_swigt__p_OpenBabel__ static swig_cast_info _swigc__p_OpenBabel__OBAtomAtomIter[] = { {&_swigt__p_OpenBabel__OBAtomAtomIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBAtomBondIter[] = { {&_swigt__p_OpenBabel__OBAtomBondIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBAtomTyper[] = { {&_swigt__p_OpenBabel__OBAtomTyper, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBNodeBase, _p_OpenBabel__OBNodeBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBEdgeBase, _p_OpenBabel__OBEdgeBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBResidue, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBGraphBase, _p_OpenBabel__OBGraphBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__value_type, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0},{0, 0, 0, 0}}; +static swig_cast_info _swigc__p_OpenBabel__OBBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBResidue, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__value_type, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBBitVec[] = { {&_swigt__p_OpenBabel__OBBitVec, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBBond[] = { {&_swigt__p_OpenBabel__OBBond, 0, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBChainsParser[] = { {&_swigt__p_OpenBabel__OBChainsParser, 0, 0, 0},{0, 0, 0, 0}}; @@ -87528,7 +85415,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBChiralData[] = { {&_swigt__p_OpenB static swig_cast_info _swigc__p_OpenBabel__OBCommentData[] = { {&_swigt__p_OpenBabel__OBCommentData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBConformerData[] = { {&_swigt__p_OpenBabel__OBConformerData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBConversion[] = { {&_swigt__p_OpenBabel__OBConversion, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBEdgeBase[] = { {&_swigt__p_OpenBabel__OBEdgeBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBEdgeBase, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type, _p_OpenBabel__OBBondTo_p_OpenBabel__OBEdgeBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBElement[] = { {&_swigt__p_OpenBabel__OBElement, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBElementTable[] = { {&_swigt__p_OpenBabel__OBElementTable, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBError[] = { {&_swigt__p_OpenBabel__OBError, 0, 0, 0},{0, 0, 0, 0}}; @@ -87537,7 +85423,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBExternalBondData[] = { {&_swigt__p static swig_cast_info _swigc__p_OpenBabel__OBFormat[] = { {&_swigt__p_OpenBabel__OBFormat, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBGenericData[] = { {&_swigt__p_OpenBabel__OBTorsionData, _p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBPairData, _p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBAngleData, _p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBChiralData, _p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBRingData, _p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSerialNums, _p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__value_type, 0, 0, 0}, {&_swigt__p_OpenBabel__OBExternalBondData, _p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSetData, _p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSymmetryData, _p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBCommentData, _p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBVirtualBond, _p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBConformerData, _p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBGenericData, 0, 0, 0}, {&_swigt__p_OpenBabel__OBUnitCell, _p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBGlobalDataBase[] = { {&_swigt__p_OpenBabel__OBAtomTyper, _p_OpenBabel__OBAtomTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBAromaticTyper, _p_OpenBabel__OBAromaticTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBGlobalDataBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBResidueData, _p_OpenBabel__OBResidueDataTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBIsotopeTable, _p_OpenBabel__OBIsotopeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBTypeTable, _p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBElementTable, _p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBGraphBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBGraphBase, 0, 0}, {&_swigt__p_OpenBabel__OBGraphBase, 0, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type, _p_OpenBabel__OBMolTo_p_OpenBabel__OBGraphBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBInternalCoord[] = { {&_swigt__p_OpenBabel__OBInternalCoord, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBIsotopeTable[] = { {&_swigt__p_OpenBabel__OBIsotopeTable, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMessageHandler[] = { {&_swigt__p_OpenBabel__OBMessageHandler, 0, 0, 0},{0, 0, 0, 0}}; @@ -87546,7 +85431,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBMolAtomBFSIter[] = { {&_swigt__p_O static swig_cast_info _swigc__p_OpenBabel__OBMolAtomDFSIter[] = { {&_swigt__p_OpenBabel__OBMolAtomDFSIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMolAtomIter[] = { {&_swigt__p_OpenBabel__OBMolAtomIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMolBondIter[] = { {&_swigt__p_OpenBabel__OBMolBondIter, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBNodeBase[] = { {&_swigt__p_OpenBabel__OBNodeBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBNodeBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBPairData[] = { {&_swigt__p_OpenBabel__OBPairData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBRTree[] = { {&_swigt__p_OpenBabel__OBRTree, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBRandom[] = { {&_swigt__p_OpenBabel__OBRandom, 0, 0, 0},{0, 0, 0, 0}}; @@ -87605,10 +85489,10 @@ static swig_cast_info _swigc__p_std__type_info[] = { {&_swigt__p_std__type_info static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t, 0, 0, 0},{0, 0, 0, 0}}; +static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type[] = { {&_swigt__p_OpenBabel__OBBond, 0, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type[] = { {&_swigt__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type, 0, 0, 0},{0, 0, 0, 0}}; @@ -87617,8 +85501,6 @@ static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_std__al static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type[] = { {&_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type[] = { {&_swigt__p_OpenBabel__OBMol, 0, 0, 0}, {&_swigt__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type[] = { {&_swigt__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type, 0, 0, 0},{0, 0, 0, 0}}; @@ -87672,7 +85554,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBCommentData, _swigc__p_OpenBabel__OBConformerData, _swigc__p_OpenBabel__OBConversion, - _swigc__p_OpenBabel__OBEdgeBase, _swigc__p_OpenBabel__OBElement, _swigc__p_OpenBabel__OBElementTable, _swigc__p_OpenBabel__OBError, @@ -87681,7 +85562,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBFormat, _swigc__p_OpenBabel__OBGenericData, _swigc__p_OpenBabel__OBGlobalDataBase, - _swigc__p_OpenBabel__OBGraphBase, _swigc__p_OpenBabel__OBInternalCoord, _swigc__p_OpenBabel__OBIsotopeTable, _swigc__p_OpenBabel__OBMessageHandler, @@ -87690,7 +85570,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBMolAtomDFSIter, _swigc__p_OpenBabel__OBMolAtomIter, _swigc__p_OpenBabel__OBMolBondIter, - _swigc__p_OpenBabel__OBNodeBase, _swigc__p_OpenBabel__OBPairData, _swigc__p_OpenBabel__OBRTree, _swigc__p_OpenBabel__OBRandom, @@ -87749,10 +85628,10 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t, _swigc__p_std__vectorTOpenBabel__OBAtom_p_std__allocatorTOpenBabel__OBAtom_p_t_t__iterator, _swigc__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t, + _swigc__p_std__vectorTOpenBabel__OBBond_p_std__allocatorTOpenBabel__OBBond_p_t_t__iterator, _swigc__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t, _swigc__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__allocator_type, _swigc__p_std__vectorTOpenBabel__OBBond_std__allocatorTOpenBabel__OBBond_t_t__value_type, - _swigc__p_std__vectorTOpenBabel__OBEdgeBase_p_std__allocatorTOpenBabel__OBEdgeBase_p_t_t__iterator, _swigc__p_std__vectorTOpenBabel__OBExternalBond_std__allocatorTOpenBabel__OBExternalBond_t_t, _swigc__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t, _swigc__p_std__vectorTOpenBabel__OBGenericData_p_std__allocatorTOpenBabel__OBGenericData_p_t_t__allocator_type, @@ -87761,8 +85640,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t, _swigc__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__allocator_type, _swigc__p_std__vectorTOpenBabel__OBMol_std__allocatorTOpenBabel__OBMol_t_t__value_type, - _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t, - _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_std__allocatorTOpenBabel__OBNodeBase_p_t_t__iterator, _swigc__p_std__vectorTOpenBabel__OBResidue_p_std__allocatorTOpenBabel__OBResidue_p_t_t__iterator, _swigc__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t, _swigc__p_std__vectorTOpenBabel__OBResidue_std__allocatorTOpenBabel__OBResidue_t_t__allocator_type, diff --git a/scripts/ruby/openbabel_ruby.cpp b/scripts/ruby/openbabel_ruby.cpp index c2b470692..186c8aeb3 100644 --- a/scripts/ruby/openbabel_ruby.cpp +++ b/scripts/ruby/openbabel_ruby.cpp @@ -1559,125 +1559,120 @@ SWIG_Ruby_SetModule(swig_module_info *pointer) #define SWIGTYPE_p_OpenBabel__OBCommentData swig_types[15] #define SWIGTYPE_p_OpenBabel__OBConformerData swig_types[16] #define SWIGTYPE_p_OpenBabel__OBConversion swig_types[17] -#define SWIGTYPE_p_OpenBabel__OBEdgeBase swig_types[18] -#define SWIGTYPE_p_OpenBabel__OBElement swig_types[19] -#define SWIGTYPE_p_OpenBabel__OBElementTable swig_types[20] -#define SWIGTYPE_p_OpenBabel__OBError swig_types[21] -#define SWIGTYPE_p_OpenBabel__OBExternalBond swig_types[22] -#define SWIGTYPE_p_OpenBabel__OBExternalBondData swig_types[23] -#define SWIGTYPE_p_OpenBabel__OBFormat swig_types[24] -#define SWIGTYPE_p_OpenBabel__OBGenericData swig_types[25] -#define SWIGTYPE_p_OpenBabel__OBGlobalDataBase swig_types[26] -#define SWIGTYPE_p_OpenBabel__OBGraphBase swig_types[27] -#define SWIGTYPE_p_OpenBabel__OBInternalCoord swig_types[28] -#define SWIGTYPE_p_OpenBabel__OBIsotopeTable swig_types[29] -#define SWIGTYPE_p_OpenBabel__OBMessageHandler swig_types[30] -#define SWIGTYPE_p_OpenBabel__OBMol swig_types[31] -#define SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter swig_types[32] -#define SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter swig_types[33] -#define SWIGTYPE_p_OpenBabel__OBMolAtomIter swig_types[34] -#define SWIGTYPE_p_OpenBabel__OBMolBondIter swig_types[35] -#define SWIGTYPE_p_OpenBabel__OBNodeBase swig_types[36] -#define SWIGTYPE_p_OpenBabel__OBPairData swig_types[37] -#define SWIGTYPE_p_OpenBabel__OBRTree swig_types[38] -#define SWIGTYPE_p_OpenBabel__OBRandom swig_types[39] -#define SWIGTYPE_p_OpenBabel__OBResidue swig_types[40] -#define SWIGTYPE_p_OpenBabel__OBResidueAtomIter swig_types[41] -#define SWIGTYPE_p_OpenBabel__OBResidueData swig_types[42] -#define SWIGTYPE_p_OpenBabel__OBResidueIter swig_types[43] -#define SWIGTYPE_p_OpenBabel__OBRing swig_types[44] -#define SWIGTYPE_p_OpenBabel__OBRingData swig_types[45] -#define SWIGTYPE_p_OpenBabel__OBRingSearch swig_types[46] -#define SWIGTYPE_p_OpenBabel__OBSSMatch swig_types[47] -#define SWIGTYPE_p_OpenBabel__OBSerialNums swig_types[48] -#define SWIGTYPE_p_OpenBabel__OBSetData swig_types[49] -#define SWIGTYPE_p_OpenBabel__OBSmartsPattern swig_types[50] -#define SWIGTYPE_p_OpenBabel__OBSqrtTbl swig_types[51] -#define SWIGTYPE_p_OpenBabel__OBStopwatch swig_types[52] -#define SWIGTYPE_p_OpenBabel__OBSymmetryData swig_types[53] -#define SWIGTYPE_p_OpenBabel__OBTorsion swig_types[54] -#define SWIGTYPE_p_OpenBabel__OBTorsionData swig_types[55] -#define SWIGTYPE_p_OpenBabel__OBTypeTable swig_types[56] -#define SWIGTYPE_p_OpenBabel__OBUnitCell swig_types[57] -#define SWIGTYPE_p_OpenBabel__OBVirtualBond swig_types[58] -#define SWIGTYPE_p_OpenBabel__Pattern swig_types[59] -#define SWIGTYPE_p_OpenBabel__Template swig_types[60] -#define SWIGTYPE_p_OpenBabel__matrix3x3 swig_types[61] -#define SWIGTYPE_p_OpenBabel__obLogBuf swig_types[62] -#define SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[63] -#define SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[64] -#define SWIGTYPE_p_OpenBabel__vector3 swig_types[65] -#define SWIGTYPE_p_a_3__double swig_types[66] -#define SWIGTYPE_p_a_4__char swig_types[67] -#define SWIGTYPE_p_char swig_types[68] -#define SWIGTYPE_p_double swig_types[69] -#define SWIGTYPE_p_int swig_types[70] -#define SWIGTYPE_p_p_OpenBabel__OBAngleData swig_types[71] -#define SWIGTYPE_p_p_OpenBabel__OBChiralData swig_types[72] -#define SWIGTYPE_p_p_OpenBabel__OBCommentData swig_types[73] -#define SWIGTYPE_p_p_OpenBabel__OBConformerData swig_types[74] -#define SWIGTYPE_p_p_OpenBabel__OBExternalBondData swig_types[75] -#define SWIGTYPE_p_p_OpenBabel__OBFormat swig_types[76] -#define SWIGTYPE_p_p_OpenBabel__OBGenericData swig_types[77] -#define SWIGTYPE_p_p_OpenBabel__OBPairData swig_types[78] -#define SWIGTYPE_p_p_OpenBabel__OBRingData swig_types[79] -#define SWIGTYPE_p_p_OpenBabel__OBSerialNums swig_types[80] -#define SWIGTYPE_p_p_OpenBabel__OBSetData swig_types[81] -#define SWIGTYPE_p_p_OpenBabel__OBSymmetryData swig_types[82] -#define SWIGTYPE_p_p_OpenBabel__OBTorsionData swig_types[83] -#define SWIGTYPE_p_p_OpenBabel__OBUnitCell swig_types[84] -#define SWIGTYPE_p_p_OpenBabel__OBVirtualBond swig_types[85] -#define SWIGTYPE_p_p_double swig_types[86] -#define SWIGTYPE_p_p_int swig_types[87] -#define SWIGTYPE_p_std__dequeTint_t swig_types[88] -#define SWIGTYPE_p_std__ifstream swig_types[89] -#define SWIGTYPE_p_std__istream swig_types[90] -#define SWIGTYPE_p_std__mapTchar_const_p_OpenBabel__OBFormat_p_OpenBabel__CharPtrLess_t swig_types[91] -#define SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t swig_types[92] -#define SWIGTYPE_p_std__mapTstd__string_std__string_t swig_types[93] -#define SWIGTYPE_p_std__ostream swig_types[94] -#define SWIGTYPE_p_std__out_of_range swig_types[95] -#define SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[96] -#define SWIGTYPE_p_std__streampos swig_types[97] -#define SWIGTYPE_p_std__string swig_types[98] -#define SWIGTYPE_p_std__type_info swig_types[99] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t swig_types[100] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator swig_types[101] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t swig_types[102] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_t swig_types[103] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator swig_types[104] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_t swig_types[105] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t swig_types[106] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator swig_types[107] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t swig_types[108] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator swig_types[109] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_t swig_types[110] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t swig_types[111] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator swig_types[112] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator swig_types[113] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_t swig_types[114] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t swig_types[115] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator swig_types[116] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_t swig_types[117] -#define SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t swig_types[118] -#define SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t swig_types[119] -#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_t swig_types[120] -#define SWIGTYPE_p_std__vectorTdouble_p_t swig_types[121] -#define SWIGTYPE_p_std__vectorTdouble_p_t__iterator swig_types[122] -#define SWIGTYPE_p_std__vectorTdouble_t swig_types[123] -#define SWIGTYPE_p_std__vectorTint_t swig_types[124] -#define SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t swig_types[125] -#define SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t swig_types[126] -#define SWIGTYPE_p_std__vectorTstd__string_t swig_types[127] -#define SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t swig_types[128] -#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t swig_types[129] -#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator swig_types[130] -#define SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t swig_types[131] -#define SWIGTYPE_p_std__vectorTunsigned_int_t swig_types[132] -#define SWIGTYPE_p_std__vectorTunsigned_short_t swig_types[133] -#define SWIGTYPE_p_unsigned_int swig_types[134] -static swig_type_info *swig_types[136]; -static swig_module_info swig_module = {swig_types, 135, 0, 0, 0, 0}; +#define SWIGTYPE_p_OpenBabel__OBElement swig_types[18] +#define SWIGTYPE_p_OpenBabel__OBElementTable swig_types[19] +#define SWIGTYPE_p_OpenBabel__OBError swig_types[20] +#define SWIGTYPE_p_OpenBabel__OBExternalBond swig_types[21] +#define SWIGTYPE_p_OpenBabel__OBExternalBondData swig_types[22] +#define SWIGTYPE_p_OpenBabel__OBFormat swig_types[23] +#define SWIGTYPE_p_OpenBabel__OBGenericData swig_types[24] +#define SWIGTYPE_p_OpenBabel__OBGlobalDataBase swig_types[25] +#define SWIGTYPE_p_OpenBabel__OBInternalCoord swig_types[26] +#define SWIGTYPE_p_OpenBabel__OBIsotopeTable swig_types[27] +#define SWIGTYPE_p_OpenBabel__OBMessageHandler swig_types[28] +#define SWIGTYPE_p_OpenBabel__OBMol swig_types[29] +#define SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter swig_types[30] +#define SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter swig_types[31] +#define SWIGTYPE_p_OpenBabel__OBMolAtomIter swig_types[32] +#define SWIGTYPE_p_OpenBabel__OBMolBondIter swig_types[33] +#define SWIGTYPE_p_OpenBabel__OBPairData swig_types[34] +#define SWIGTYPE_p_OpenBabel__OBRTree swig_types[35] +#define SWIGTYPE_p_OpenBabel__OBRandom swig_types[36] +#define SWIGTYPE_p_OpenBabel__OBResidue swig_types[37] +#define SWIGTYPE_p_OpenBabel__OBResidueAtomIter swig_types[38] +#define SWIGTYPE_p_OpenBabel__OBResidueData swig_types[39] +#define SWIGTYPE_p_OpenBabel__OBResidueIter swig_types[40] +#define SWIGTYPE_p_OpenBabel__OBRing swig_types[41] +#define SWIGTYPE_p_OpenBabel__OBRingData swig_types[42] +#define SWIGTYPE_p_OpenBabel__OBRingSearch swig_types[43] +#define SWIGTYPE_p_OpenBabel__OBSSMatch swig_types[44] +#define SWIGTYPE_p_OpenBabel__OBSerialNums swig_types[45] +#define SWIGTYPE_p_OpenBabel__OBSetData swig_types[46] +#define SWIGTYPE_p_OpenBabel__OBSmartsPattern swig_types[47] +#define SWIGTYPE_p_OpenBabel__OBSqrtTbl swig_types[48] +#define SWIGTYPE_p_OpenBabel__OBStopwatch swig_types[49] +#define SWIGTYPE_p_OpenBabel__OBSymmetryData swig_types[50] +#define SWIGTYPE_p_OpenBabel__OBTorsion swig_types[51] +#define SWIGTYPE_p_OpenBabel__OBTorsionData swig_types[52] +#define SWIGTYPE_p_OpenBabel__OBTypeTable swig_types[53] +#define SWIGTYPE_p_OpenBabel__OBUnitCell swig_types[54] +#define SWIGTYPE_p_OpenBabel__OBVirtualBond swig_types[55] +#define SWIGTYPE_p_OpenBabel__Pattern swig_types[56] +#define SWIGTYPE_p_OpenBabel__Template swig_types[57] +#define SWIGTYPE_p_OpenBabel__matrix3x3 swig_types[58] +#define SWIGTYPE_p_OpenBabel__obLogBuf swig_types[59] +#define SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[60] +#define SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[61] +#define SWIGTYPE_p_OpenBabel__vector3 swig_types[62] +#define SWIGTYPE_p_a_3__double swig_types[63] +#define SWIGTYPE_p_a_4__char swig_types[64] +#define SWIGTYPE_p_char swig_types[65] +#define SWIGTYPE_p_double swig_types[66] +#define SWIGTYPE_p_int swig_types[67] +#define SWIGTYPE_p_p_OpenBabel__OBAngleData swig_types[68] +#define SWIGTYPE_p_p_OpenBabel__OBChiralData swig_types[69] +#define SWIGTYPE_p_p_OpenBabel__OBCommentData swig_types[70] +#define SWIGTYPE_p_p_OpenBabel__OBConformerData swig_types[71] +#define SWIGTYPE_p_p_OpenBabel__OBExternalBondData swig_types[72] +#define SWIGTYPE_p_p_OpenBabel__OBFormat swig_types[73] +#define SWIGTYPE_p_p_OpenBabel__OBGenericData swig_types[74] +#define SWIGTYPE_p_p_OpenBabel__OBPairData swig_types[75] +#define SWIGTYPE_p_p_OpenBabel__OBRingData swig_types[76] +#define SWIGTYPE_p_p_OpenBabel__OBSerialNums swig_types[77] +#define SWIGTYPE_p_p_OpenBabel__OBSetData swig_types[78] +#define SWIGTYPE_p_p_OpenBabel__OBSymmetryData swig_types[79] +#define SWIGTYPE_p_p_OpenBabel__OBTorsionData swig_types[80] +#define SWIGTYPE_p_p_OpenBabel__OBUnitCell swig_types[81] +#define SWIGTYPE_p_p_OpenBabel__OBVirtualBond swig_types[82] +#define SWIGTYPE_p_p_double swig_types[83] +#define SWIGTYPE_p_p_int swig_types[84] +#define SWIGTYPE_p_std__dequeTint_t swig_types[85] +#define SWIGTYPE_p_std__ifstream swig_types[86] +#define SWIGTYPE_p_std__istream swig_types[87] +#define SWIGTYPE_p_std__mapTchar_const_p_OpenBabel__OBFormat_p_OpenBabel__CharPtrLess_t swig_types[88] +#define SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t swig_types[89] +#define SWIGTYPE_p_std__mapTstd__string_std__string_t swig_types[90] +#define SWIGTYPE_p_std__ostream swig_types[91] +#define SWIGTYPE_p_std__out_of_range swig_types[92] +#define SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[93] +#define SWIGTYPE_p_std__streampos swig_types[94] +#define SWIGTYPE_p_std__string swig_types[95] +#define SWIGTYPE_p_std__type_info swig_types[96] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t swig_types[97] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator swig_types[98] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t swig_types[99] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator swig_types[100] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBBond_t swig_types[101] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_t swig_types[102] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t swig_types[103] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator swig_types[104] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t swig_types[105] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator swig_types[106] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBMol_t swig_types[107] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator swig_types[108] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_t swig_types[109] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t swig_types[110] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator swig_types[111] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBRing_t swig_types[112] +#define SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t swig_types[113] +#define SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t swig_types[114] +#define SWIGTYPE_p_std__vectorTOpenBabel__vector3_t swig_types[115] +#define SWIGTYPE_p_std__vectorTdouble_p_t swig_types[116] +#define SWIGTYPE_p_std__vectorTdouble_p_t__iterator swig_types[117] +#define SWIGTYPE_p_std__vectorTdouble_t swig_types[118] +#define SWIGTYPE_p_std__vectorTint_t swig_types[119] +#define SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t swig_types[120] +#define SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t swig_types[121] +#define SWIGTYPE_p_std__vectorTstd__string_t swig_types[122] +#define SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t swig_types[123] +#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t swig_types[124] +#define SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator swig_types[125] +#define SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t swig_types[126] +#define SWIGTYPE_p_std__vectorTunsigned_int_t swig_types[127] +#define SWIGTYPE_p_std__vectorTunsigned_short_t swig_types[128] +#define SWIGTYPE_p_unsigned_int swig_types[129] +static swig_type_info *swig_types[131]; +static swig_module_info swig_module = {swig_types, 130, 0, 0, 0, 0}; #define SWIG_TypeQuery(name) SWIG_TypeQueryModule(&swig_module, &swig_module, name) #define SWIG_MangledTypeQuery(name) SWIG_MangledTypeQueryModule(&swig_module, &swig_module, name) @@ -12671,6 +12666,41 @@ fail: SWIGINTERN VALUE _wrap_OBSetData_GetData__SWIG_0(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; + char *arg2 = (char *) 0 ; + OpenBabel::OBGenericData *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + int res2 ; + char *buf2 = 0 ; + int alloc2 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBSetData, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); + res2 = SWIG_AsCharPtrAndSize(argv[0], &buf2, NULL, &alloc2); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "GetData" "', argument " "2"" of type '" "char const *""'"); + } + arg2 = reinterpret_cast< char * >(buf2); + result = (OpenBabel::OBGenericData *)(arg1)->GetData((char const *)arg2); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, 0 | 0 ); + if (alloc2 == SWIG_NEWOBJ) delete[] buf2; + return vresult; +fail: + if (alloc2 == SWIG_NEWOBJ) delete[] buf2; + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBSetData_GetData__SWIG_1(int argc, VALUE *argv, VALUE self) { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; std::string *arg2 = 0 ; OpenBabel::OBGenericData *result = 0 ; @@ -12709,7 +12739,7 @@ fail: SWIGINTERN VALUE -_wrap_OBSetData_GetData__SWIG_1(int argc, VALUE *argv, VALUE self) { +_wrap_OBSetData_GetData__SWIG_2(int argc, VALUE *argv, VALUE self) { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; std::vector *result = 0 ; void *argp1 = 0 ; @@ -12752,7 +12782,7 @@ SWIGINTERN VALUE _wrap_OBSetData_GetData(int nargs, VALUE *args, VALUE self) { int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_OpenBabel__OBSetData, 0); _v = SWIG_CheckState(res); if (_v) { - return _wrap_OBSetData_GetData__SWIG_1(nargs, args, self); + return _wrap_OBSetData_GetData__SWIG_2(nargs, args, self); } } if (argc == 2) { @@ -12763,6 +12793,19 @@ SWIGINTERN VALUE _wrap_OBSetData_GetData(int nargs, VALUE *args, VALUE self) { if (_v) { int res = SWIG_AsPtr_std_string(argv[1], (std::string**)(0)); _v = SWIG_CheckState(res); + if (_v) { + return _wrap_OBSetData_GetData__SWIG_1(nargs, args, self); + } + } + } + if (argc == 2) { + int _v; + void *vptr = 0; + int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_OpenBabel__OBSetData, 0); + _v = SWIG_CheckState(res); + if (_v) { + int res = SWIG_AsCharPtrAndSize(argv[1], 0, NULL, 0); + _v = SWIG_CheckState(res); if (_v) { return _wrap_OBSetData_GetData__SWIG_0(nargs, args, self); } @@ -17767,1509 +17810,6 @@ fail: } -swig_class cOBNodeBase; - -SWIGINTERN VALUE -_wrap_OBNodeBase_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool) ((arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -#ifdef HAVE_RB_DEFINE_ALLOC_FUNC -SWIGINTERN VALUE -_wrap_OBNodeBase_allocate(VALUE self) { -#else - SWIGINTERN VALUE - _wrap_OBNodeBase_allocate(int argc, VALUE *argv, VALUE self) { -#endif - - - VALUE vresult = SWIG_NewClassInstance(self, SWIGTYPE_p_OpenBabel__OBNodeBase); -#ifndef HAVE_RB_DEFINE_ALLOC_FUNC - rb_obj_call_init(vresult, argc, argv); -#endif - return vresult; - } - - -SWIGINTERN VALUE -_wrap_new_OBNodeBase(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *result = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - result = (OpenBabel::OBNodeBase *)new OpenBabel::OBNodeBase();DATA_PTR(self) = result; - - return self; -fail: - return Qnil; -} - - -SWIGINTERN void -free_OpenBabel_OBNodeBase(OpenBabel::OBNodeBase *arg1) { - delete arg1; -} - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetIdx(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetIdx" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetIdx(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_SetIdx(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetIdx" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "SetIdx" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->SetIdx(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (OpenBabel::OBGraphBase *)(arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_AddEdge(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AddEdge" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (arg1)->AddEdge(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetValence(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetValence(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_IsConnected(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IsConnected" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "IsConnected" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(arg1)->IsConnected(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetFormalCharge(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (int)((OpenBabel::OBNodeBase const *)arg1)->GetFormalCharge(); - vresult = SWIG_From_int(static_cast< int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_ExplicitHydrogenCount(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->ExplicitHydrogenCount(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_ImplicitHydrogenCount(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->ImplicitHydrogenCount(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetImplicitValence(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetImplicitValence(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetHvyValence(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetHvyValence(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_KBOSum(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "KBOSum" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->KBOSum(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetHyb(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetHyb" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetHyb(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_MemberOfRingCount(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->MemberOfRingCount(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetAtomicNum(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBNodeBase const *)arg1)->GetAtomicNum(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_SetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetMatch" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetMatch(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_SetAromatic(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - (arg1)->SetAromatic(); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_IsInRingSize(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - int arg2 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "IsInRingSize" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsInRingSize(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_IsAromatic(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsAromatic(); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_IsInRing(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IsInRing" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->IsInRing(); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBNodeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)((OpenBabel::OBNodeBase const *)arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBNodeBase_GetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetMatch" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetMatch(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -swig_class cOBEdgeBase; - -SWIGINTERN VALUE -_wrap_OBEdgeBase_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool) ((arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_new_OBEdgeBase__SWIG_0(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *result = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - result = (OpenBabel::OBEdgeBase *)new OpenBabel::OBEdgeBase();DATA_PTR(self) = result; - - return self; -fail: - return Qnil; -} - - -#ifdef HAVE_RB_DEFINE_ALLOC_FUNC -SWIGINTERN VALUE -_wrap_OBEdgeBase_allocate(VALUE self) { -#else - SWIGINTERN VALUE - _wrap_OBEdgeBase_allocate(int argc, VALUE *argv, VALUE self) { -#endif - - - VALUE vresult = SWIG_NewClassInstance(self, SWIGTYPE_p_OpenBabel__OBEdgeBase); -#ifndef HAVE_RB_DEFINE_ALLOC_FUNC - rb_obj_call_init(vresult, argc, argv); -#endif - return vresult; - } - - -SWIGINTERN VALUE -_wrap_new_OBEdgeBase__SWIG_1(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBNodeBase *arg1 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - OpenBabel::OBEdgeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 2) || (argc > 2)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 2)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(argv[0], &argp1,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OpenBabel::OBEdgeBase" "', argument " "1"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[1], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OpenBabel::OBEdgeBase" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (OpenBabel::OBEdgeBase *)new OpenBabel::OBEdgeBase(arg1,arg2);DATA_PTR(self) = result; - - return self; -fail: - return Qnil; -} - - -SWIGINTERN VALUE _wrap_new_OBEdgeBase(int nargs, VALUE *args, VALUE self) { - int argc; - VALUE argv[2]; - int ii; - - argc = nargs; - if (argc > 2) SWIG_fail; - for (ii = 0; (ii < argc); ii++) { - argv[ii] = args[ii]; - } - if (argc == 0) { - return _wrap_new_OBEdgeBase__SWIG_0(nargs, args, self); - } - if (argc == 2) { - int _v; - void *vptr = 0; - int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_OpenBabel__OBNodeBase, 0); - _v = SWIG_CheckState(res); - if (_v) { - void *vptr = 0; - int res = SWIG_ConvertPtr(argv[1], &vptr, SWIGTYPE_p_OpenBabel__OBNodeBase, 0); - _v = SWIG_CheckState(res); - if (_v) { - return _wrap_new_OBEdgeBase__SWIG_1(nargs, args, self); - } - } - } - -fail: - rb_raise(rb_eArgError, "No matching function for overloaded 'new_OBEdgeBase'"); - return Qnil; -} - - -SWIGINTERN void -free_OpenBabel_OBEdgeBase(OpenBabel::OBEdgeBase *arg1) { - delete arg1; -} - -SWIGINTERN VALUE -_wrap_OBEdgeBase_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBGraphBase *)(arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_GetIdx(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetIdx" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (unsigned int)(arg1)->GetIdx(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_SetIdx(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetIdx" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "SetIdx" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->SetIdx(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_SetBgn(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetBgn" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetBgn(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_SetEnd(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetEnd" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetEnd" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (arg1)->SetEnd(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_SwapEnds(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - (arg1)->SwapEnds(); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_GetBgn(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetBgn" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetBgn(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_GetEnd(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetEnd" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (OpenBabel::OBNodeBase *)(arg1)->GetEnd(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_SetClosure(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetClosure" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - (arg1)->SetClosure(); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_IsAromatic(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)((OpenBabel::OBEdgeBase const *)arg1)->IsAromatic(); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_IsInRing(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IsInRing" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)((OpenBabel::OBEdgeBase const *)arg1)->IsInRing(); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_IsClosure(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IsClosure" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (bool)(arg1)->IsClosure(); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBEdgeBase_GetBO(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBEdgeBase *arg1 = (OpenBabel::OBEdgeBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetBO" "', argument " "1"" of type '" "OpenBabel::OBEdgeBase const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp1); - result = (unsigned int)((OpenBabel::OBEdgeBase const *)arg1)->GetBO(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -swig_class cOBGraphBase; - -SWIGINTERN VALUE -_wrap_new_OBGraphBase__SWIG_0(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBGraphBase *result = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - result = (OpenBabel::OBGraphBase *)new OpenBabel::OBGraphBase();DATA_PTR(self) = result; - - return self; -fail: - return Qnil; -} - - -#ifdef HAVE_RB_DEFINE_ALLOC_FUNC -SWIGINTERN VALUE -_wrap_OBGraphBase_allocate(VALUE self) { -#else - SWIGINTERN VALUE - _wrap_OBGraphBase_allocate(int argc, VALUE *argv, VALUE self) { -#endif - - - VALUE vresult = SWIG_NewClassInstance(self, SWIGTYPE_p_OpenBabel__OBGraphBase); -#ifndef HAVE_RB_DEFINE_ALLOC_FUNC - rb_obj_call_init(vresult, argc, argv); -#endif - return vresult; - } - - -SWIGINTERN VALUE -_wrap_new_OBGraphBase__SWIG_1(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBGraphBase *arg1 = 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 ; - int res1 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(argv[0], &argp1, SWIGTYPE_p_OpenBabel__OBGraphBase, 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OpenBabel::OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase const &""'"); - } - if (!argp1) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OpenBabel::OBGraphBase" "', argument " "1"" of type '" "OpenBabel::OBGraphBase const &""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (OpenBabel::OBGraphBase *)new OpenBabel::OBGraphBase((OpenBabel::OBGraphBase const &)*arg1);DATA_PTR(self) = result; - - return self; -fail: - return Qnil; -} - - -SWIGINTERN VALUE _wrap_new_OBGraphBase(int nargs, VALUE *args, VALUE self) { - int argc; - VALUE argv[1]; - int ii; - - argc = nargs; - if (argc > 1) SWIG_fail; - for (ii = 0; (ii < argc); ii++) { - argv[ii] = args[ii]; - } - if (argc == 0) { - return _wrap_new_OBGraphBase__SWIG_0(nargs, args, self); - } - if (argc == 1) { - int _v; - void *vptr = 0; - int res = SWIG_ConvertPtr(argv[0], &vptr, SWIGTYPE_p_OpenBabel__OBGraphBase, 0); - _v = SWIG_CheckState(res); - if (_v) { - return _wrap_new_OBGraphBase__SWIG_1(nargs, args, self); - } - } - -fail: - rb_raise(rb_eArgError, "No matching function for overloaded 'new_OBGraphBase'"); - return Qnil; -} - - -SWIGINTERN void -free_OpenBabel_OBGraphBase(OpenBabel::OBGraphBase *arg1) { - delete arg1; -} - -SWIGINTERN VALUE -_wrap_OBGraphBase_NumNodes(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NumNodes" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (unsigned int)(arg1)->NumNodes(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBGraphBase_NumEdges(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NumEdges" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (unsigned int)(arg1)->NumEdges(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBGraphBase_ResetVisitFlags(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ResetVisitFlags" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - (arg1)->ResetVisitFlags(); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBGraphBase_SetVisitLock(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - bool arg2 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetVisitLock" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "SetVisitLock" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - result = (bool)(arg1)->SetVisitLock(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBGraphBase_GetVisitLock(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBGraphBase *arg1 = (OpenBabel::OBGraphBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetVisitLock" "', argument " "1"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp1); - result = (bool)(arg1)->GetVisitLock(); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - swig_class cOBError; SWIGINTERN VALUE @@ -24969,6 +23509,54 @@ fail: } +SWIGINTERN VALUE +_wrap_OBResidue_BeginAtoms(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidue, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); + result = (arg1)->BeginAtoms(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBResidue_EndAtoms(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidue, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); + result = (arg1)->EndAtoms(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBResidue_BeginAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; @@ -25928,6 +24516,60 @@ fail: swig_class cOBAtom; +SWIGINTERN VALUE +_wrap_OBAtom_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBAtom_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + result = (bool) ((arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + #ifdef HAVE_RB_DEFINE_ALLOC_FUNC SWIGINTERN VALUE _wrap_OBAtom_allocate(VALUE self) { @@ -26593,6 +25235,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBAtom_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtom_SetAromatic(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; @@ -27406,6 +26077,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBAtom_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtom_GetNewBondVector(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; @@ -27508,7 +26203,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtom_BeginBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -27522,7 +26217,7 @@ _wrap_OBAtom_BeginBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->BeginBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -27532,7 +26227,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtom_EndBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -27546,7 +26241,7 @@ _wrap_OBAtom_EndBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->EndBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -27556,7 +26251,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtom_BeginBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -27572,14 +26267,14 @@ _wrap_OBAtom_BeginBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -27591,7 +26286,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtom_NextBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -27607,14 +26302,14 @@ _wrap_OBAtom_NextBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -27626,7 +26321,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtom_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -27642,14 +26337,14 @@ _wrap_OBAtom_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->BeginNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -27661,7 +26356,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtom_NextNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -27677,14 +26372,14 @@ _wrap_OBAtom_NextNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->NextNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -28016,7 +26711,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtom_InsertBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -28033,14 +26728,14 @@ _wrap_OBAtom_InsertBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(argv[1], &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -29664,6 +28359,60 @@ fail: swig_class cOBBond; +SWIGINTERN VALUE +_wrap_OBBond_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBBond_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (bool) ((arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + #ifdef HAVE_RB_DEFINE_ALLOC_FUNC SWIGINTERN VALUE _wrap_OBBond_allocate(VALUE self) { @@ -29817,6 +28566,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBBond_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBBond_SetLength(int argc, VALUE *argv, VALUE self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -30251,6 +29029,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBBond_GetIdx(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetIdx" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetIdx(); + vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBBond_GetBO(int argc, VALUE *argv, VALUE self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -30451,6 +29253,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBBond_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); + result = (OpenBabel::OBMol *)(arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBBond_GetEquibLength(int argc, VALUE *argv, VALUE self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; @@ -31209,7 +30035,7 @@ fail: SWIGINTERN VALUE _wrap_OBMol_DestroyAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; + OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -31223,11 +30049,11 @@ _wrap_OBMol_DestroyAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DestroyAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "DestroyAtom" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "DestroyAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'"); } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); + arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->DestroyAtom(arg2); return Qnil; fail: @@ -31238,7 +30064,7 @@ fail: SWIGINTERN VALUE _wrap_OBMol_DestroyBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; + OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -31252,11 +30078,11 @@ _wrap_OBMol_DestroyBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DestroyBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "DestroyBond" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "DestroyBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'"); } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); + arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (arg1)->DestroyBond(arg2); return Qnil; fail: @@ -34047,7 +32873,7 @@ fail: SWIGINTERN VALUE _wrap_OBMol_RenumberAtoms(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector *arg2 = 0 ; + std::vector *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -34061,14 +32887,14 @@ _wrap_OBMol_RenumberAtoms(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "RenumberAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "RenumberAtoms" "', argument " "2"" of type '" "std::vector &""'"); } - arg2 = reinterpret_cast< std::vector * >(argp2); + arg2 = reinterpret_cast< std::vector * >(argp2); (arg1)->RenumberAtoms(*arg2); return Qnil; fail: @@ -36470,10 +35296,154 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMol_BeginAtoms(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginAtoms(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMol_EndAtoms(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndAtoms(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMol_BeginBonds(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginBonds(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMol_EndBonds(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "EndBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndBonds(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMol_BeginResidues(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginResidues" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->BeginResidues(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBResidueIterator(static_cast< const OpenBabel::OBResidueIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMol_EndResidues(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "EndResidues" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); + result = (arg1)->EndResidues(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBResidueIterator(static_cast< const OpenBabel::OBResidueIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMol_BeginAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -36489,14 +35459,14 @@ _wrap_OBMol_BeginAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->BeginAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -36508,7 +35478,7 @@ fail: SWIGINTERN VALUE _wrap_OBMol_NextAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -36524,14 +35494,14 @@ _wrap_OBMol_NextAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->NextAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -36543,7 +35513,7 @@ fail: SWIGINTERN VALUE _wrap_OBMol_BeginBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -36559,14 +35529,14 @@ _wrap_OBMol_BeginBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -36578,7 +35548,7 @@ fail: SWIGINTERN VALUE _wrap_OBMol_NextBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -36594,14 +35564,14 @@ _wrap_OBMol_NextBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -37686,7 +36656,7 @@ fail: SWIGINTERN VALUE _wrap_OBRTree_PathToRoot(int argc, VALUE *argv, VALUE self) { OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; - std::vector *arg2 = 0 ; + std::vector *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; @@ -37700,14 +36670,14 @@ _wrap_OBRTree_PathToRoot(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "PathToRoot" "', argument " "1"" of type '" "OpenBabel::OBRTree *""'"); } arg1 = reinterpret_cast< OpenBabel::OBRTree * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBNodeBase_p_t, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "PathToRoot" "', argument " "2"" of type '" "std::vector &""'"); } - arg2 = reinterpret_cast< std::vector * >(argp2); + arg2 = reinterpret_cast< std::vector * >(argp2); (arg1)->PathToRoot(*arg2); return Qnil; fail: @@ -40222,6 +39192,60 @@ free_OpenBabel_OBMolAtomIter(OpenBabel::OBMolAtomIter *arg1) { delete arg1; } +SWIGINTERN VALUE +_wrap_OBMolAtomIter_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMolAtomIter_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomIter_Clear(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -40850,6 +39874,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolAtomIter_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomIter_SetAromatic(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -41663,6 +40716,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolAtomIter_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomIter_GetNewBondVector(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -41765,7 +40842,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomIter_BeginBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -41779,7 +40856,7 @@ _wrap_OBMolAtomIter_BeginBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -41789,7 +40866,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomIter_EndBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -41803,7 +40880,7 @@ _wrap_OBMolAtomIter_EndBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->EndBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -41813,7 +40890,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomIter_BeginBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -41829,14 +40906,14 @@ _wrap_OBMolAtomIter_BeginBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -41848,7 +40925,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomIter_NextBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -41864,14 +40941,14 @@ _wrap_OBMolAtomIter_NextBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -41883,7 +40960,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -41899,14 +40976,14 @@ _wrap_OBMolAtomIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -41918,7 +40995,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -41934,14 +41011,14 @@ _wrap_OBMolAtomIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -42273,7 +41350,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomIter_InsertBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -42290,14 +41367,14 @@ _wrap_OBMolAtomIter_InsertBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(argv[1], &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -43919,256 +42996,6 @@ fail: } -SWIGINTERN VALUE -_wrap_OBMolAtomIter_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_AddEdge(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_SetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomIter_GetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - SWIGINTERN VALUE _wrap_OBMolAtomIter_DoTransformations(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; @@ -45055,6 +43882,60 @@ free_OpenBabel_OBMolAtomDFSIter(OpenBabel::OBMolAtomDFSIter *arg1) { delete arg1; } +SWIGINTERN VALUE +_wrap_OBMolAtomDFSIter_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMolAtomDFSIter_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + result = (bool) ((*arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_Clear(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -45683,6 +44564,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolAtomDFSIter_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_SetAromatic(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -46496,6 +45406,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolAtomDFSIter_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_GetNewBondVector(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -46598,7 +45532,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_BeginBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -46612,7 +45546,7 @@ _wrap_OBMolAtomDFSIter_BeginBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->BeginBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -46622,7 +45556,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_EndBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -46636,7 +45570,7 @@ _wrap_OBMolAtomDFSIter_EndBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->EndBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -46646,7 +45580,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_BeginBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -46662,14 +45596,14 @@ _wrap_OBMolAtomDFSIter_BeginBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -46681,7 +45615,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_NextBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -46697,14 +45631,14 @@ _wrap_OBMolAtomDFSIter_NextBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -46716,7 +45650,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -46732,14 +45666,14 @@ _wrap_OBMolAtomDFSIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -46751,7 +45685,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -46767,14 +45701,14 @@ _wrap_OBMolAtomDFSIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -47106,7 +46040,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_InsertBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -47123,14 +46057,14 @@ _wrap_OBMolAtomDFSIter_InsertBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(argv[1], &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -48752,256 +47686,6 @@ fail: } -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (bool) ((*arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_AddEdge(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_SetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomDFSIter_GetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_DoTransformations(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; @@ -49888,6 +48572,60 @@ free_OpenBabel_OBMolAtomBFSIter(OpenBabel::OBMolAtomBFSIter *arg1) { delete arg1; } +SWIGINTERN VALUE +_wrap_OBMolAtomBFSIter_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMolAtomBFSIter_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + result = (bool) ((*arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_Clear(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -50516,6 +49254,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolAtomBFSIter_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_SetAromatic(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -51329,6 +50096,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolAtomBFSIter_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_GetNewBondVector(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -51431,7 +50222,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_BeginBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -51445,7 +50236,7 @@ _wrap_OBMolAtomBFSIter_BeginBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->BeginBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -51455,7 +50246,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_EndBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -51469,7 +50260,7 @@ _wrap_OBMolAtomBFSIter_EndBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->EndBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -51479,7 +50270,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_BeginBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51495,14 +50286,14 @@ _wrap_OBMolAtomBFSIter_BeginBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -51514,7 +50305,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_NextBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51530,14 +50321,14 @@ _wrap_OBMolAtomBFSIter_NextBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -51549,7 +50340,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51565,14 +50356,14 @@ _wrap_OBMolAtomBFSIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -51584,7 +50375,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51600,14 +50391,14 @@ _wrap_OBMolAtomBFSIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -51939,7 +50730,7 @@ fail: SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_InsertBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -51956,14 +50747,14 @@ _wrap_OBMolAtomBFSIter_InsertBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(argv[1], &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -53585,256 +52376,6 @@ fail: } -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (bool) ((*arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_AddEdge(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AddEdge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_SetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolAtomBFSIter_GetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetMatch" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_DoTransformations(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; @@ -54777,6 +53318,60 @@ free_OpenBabel_OBMolBondIter(OpenBabel::OBMolBondIter *arg1) { delete arg1; } +SWIGINTERN VALUE +_wrap_OBMolBondIter_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBMolBondIter_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (bool) ((*arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolBondIter_SetIdx(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -54893,6 +53488,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolBondIter_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolBondIter_SetLength(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -55327,6 +53951,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolBondIter_GetIdx(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (unsigned int)(*arg1)->GetIdx(); + vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolBondIter_GetBO(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -55527,6 +54175,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBMolBondIter_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBMolBondIter_GetEquibLength(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -56087,296 +54759,6 @@ fail: } -SWIGINTERN VALUE -_wrap_OBMolBondIter_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (bool) ((*arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_GetIdx(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (unsigned int)(*arg1)->GetIdx(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_SetBgn(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetBgn" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetBgn(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_SwapEnds(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - (*arg1)->SwapEnds(); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_GetBgn(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetBgn" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetBgn(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_GetEnd(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetEnd" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetEnd(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBMolBondIter_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - SWIGINTERN VALUE _wrap_OBMolBondIter_DoTransformations(int argc, VALUE *argv, VALUE self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; @@ -57319,6 +55701,60 @@ free_OpenBabel_OBAtomAtomIter(OpenBabel::OBAtomAtomIter *arg1) { delete arg1; } +SWIGINTERN VALUE +_wrap_OBAtomAtomIter_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBAtomAtomIter_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtomAtomIter_Clear(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -57947,6 +56383,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBAtomAtomIter_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtomAtomIter_SetAromatic(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -58760,6 +57225,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBAtomAtomIter_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtomAtomIter_GetNewBondVector(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -58862,7 +57351,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtomAtomIter_BeginBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -58876,7 +57365,7 @@ _wrap_OBAtomAtomIter_BeginBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -58886,7 +57375,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtomAtomIter_EndBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -58900,7 +57389,7 @@ _wrap_OBAtomAtomIter_EndBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->EndBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -58910,7 +57399,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtomAtomIter_BeginBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58926,14 +57415,14 @@ _wrap_OBAtomAtomIter_BeginBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -58945,7 +57434,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtomAtomIter_NextBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58961,14 +57450,14 @@ _wrap_OBAtomAtomIter_NextBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -58980,7 +57469,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtomAtomIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -58996,14 +57485,14 @@ _wrap_OBAtomAtomIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -59015,7 +57504,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtomAtomIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -59031,14 +57520,14 @@ _wrap_OBAtomAtomIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -59370,7 +57859,7 @@ fail: SWIGINTERN VALUE _wrap_OBAtomAtomIter_InsertBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -59387,14 +57876,14 @@ _wrap_OBAtomAtomIter_InsertBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(argv[1], &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -61016,256 +59505,6 @@ fail: } -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_AddEdge(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AddEdge" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_SetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetMatch" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomAtomIter_GetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetMatch" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - SWIGINTERN VALUE _wrap_OBAtomAtomIter_DoTransformations(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; @@ -62208,6 +60447,60 @@ free_OpenBabel_OBAtomBondIter(OpenBabel::OBAtomBondIter *arg1) { delete arg1; } +SWIGINTERN VALUE +_wrap_OBAtomBondIter_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBAtomBondIter_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (bool) ((*arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtomBondIter_SetIdx(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -62324,6 +60617,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBAtomBondIter_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtomBondIter_SetLength(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -62758,6 +61080,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBAtomBondIter_GetIdx(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + unsigned int result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (unsigned int)(*arg1)->GetIdx(); + vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtomBondIter_GetBO(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -62958,6 +61304,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBAtomBondIter_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBAtomBondIter_GetEquibLength(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -63518,296 +61888,6 @@ fail: } -SWIGINTERN VALUE -_wrap_OBAtomBondIter_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (bool) ((*arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_GetIdx(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - unsigned int result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (unsigned int)(*arg1)->GetIdx(); - vresult = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_SetBgn(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetBgn" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetBgn" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetBgn(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_SwapEnds(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SwapEnds" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - (*arg1)->SwapEnds(); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_GetBgn(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetBgn" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetBgn(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_GetEnd(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetEnd" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetEnd(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBAtomBondIter_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - SWIGINTERN VALUE _wrap_OBAtomBondIter_DoTransformations(int argc, VALUE *argv, VALUE self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; @@ -65650,6 +63730,54 @@ fail: } +SWIGINTERN VALUE +_wrap_OBResidueIter_BeginAtoms(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); + result = (*arg1)->BeginAtoms(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBResidueIter_EndAtoms(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; + SwigValueWrapper::iterator > result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); + result = (*arg1)->EndAtoms(); + vresult = SWIG_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator, SWIG_POINTER_OWN | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBResidueIter_BeginAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; @@ -66662,6 +64790,60 @@ free_OpenBabel_OBResidueAtomIter(OpenBabel::OBResidueAtomIter *arg1) { delete arg1; } +SWIGINTERN VALUE +_wrap_OBResidueAtomIter_Visit_set(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool arg2 ; + void *argp1 = 0 ; + int res1 = 0 ; + bool val2 ; + int ecode2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + ecode2 = SWIG_AsVal_bool(argv[0], &val2); + if (!SWIG_IsOK(ecode2)) { + SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); + } + arg2 = static_cast< bool >(val2); + if (arg1) (*arg1)->Visit = arg2; + + return Qnil; +fail: + return Qnil; +} + + +SWIGINTERN VALUE +_wrap_OBResidueAtomIter_Visit_get(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + bool result; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + result = (bool) ((*arg1)->Visit); + vresult = SWIG_From_bool(static_cast< bool >(result)); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBResidueAtomIter_Clear(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -67290,6 +65472,35 @@ fail: } +SWIGINTERN VALUE +_wrap_OBResidueAtomIter_SetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + void *argp2 = 0 ; + int res2 = 0 ; + + if ((argc < 1) || (argc > 1)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + if (!SWIG_IsOK(res2)) { + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'"); + } + arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); + (*arg1)->SetParent(arg2); + return Qnil; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBResidueAtomIter_SetAromatic(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -68103,6 +66314,30 @@ fail: } +SWIGINTERN VALUE +_wrap_OBResidueAtomIter_GetParent(int argc, VALUE *argv, VALUE self) { + OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; + OpenBabel::OBMol *result = 0 ; + void *argp1 = 0 ; + int res1 = 0 ; + VALUE vresult = Qnil; + + if ((argc < 0) || (argc > 0)) { + rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; + } + res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); + if (!SWIG_IsOK(res1)) { + SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); + } + arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); + result = (OpenBabel::OBMol *)(*arg1)->GetParent(); + vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, 0 | 0 ); + return vresult; +fail: + return Qnil; +} + + SWIGINTERN VALUE _wrap_OBResidueAtomIter_GetNewBondVector(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -68205,7 +66440,7 @@ fail: SWIGINTERN VALUE _wrap_OBResidueAtomIter_BeginBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -68219,7 +66454,7 @@ _wrap_OBResidueAtomIter_BeginBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->BeginBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -68229,7 +66464,7 @@ fail: SWIGINTERN VALUE _wrap_OBResidueAtomIter_EndBonds(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - SwigValueWrapper::iterator > result; + SwigValueWrapper::iterator > result; void *argp1 = 0 ; int res1 = 0 ; VALUE vresult = Qnil; @@ -68243,7 +66478,7 @@ _wrap_OBResidueAtomIter_EndBonds(int argc, VALUE *argv, VALUE self) { } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->EndBonds(); - vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, SWIG_POINTER_OWN | 0 ); + vresult = SWIG_NewPointerObj((new std::vector::iterator(static_cast< const std::vector::iterator& >(result))), SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, SWIG_POINTER_OWN | 0 ); return vresult; fail: return Qnil; @@ -68253,7 +66488,7 @@ fail: SWIGINTERN VALUE _wrap_OBResidueAtomIter_BeginBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -68269,14 +66504,14 @@ _wrap_OBResidueAtomIter_BeginBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -68288,7 +66523,7 @@ fail: SWIGINTERN VALUE _wrap_OBResidueAtomIter_NextBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -68304,14 +66539,14 @@ _wrap_OBResidueAtomIter_NextBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); return vresult; @@ -68323,7 +66558,7 @@ fail: SWIGINTERN VALUE _wrap_OBResidueAtomIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -68339,14 +66574,14 @@ _wrap_OBResidueAtomIter_BeginNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "BeginNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -68358,7 +66593,7 @@ fail: SWIGINTERN VALUE _wrap_OBResidueAtomIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBAtom *result = 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -68374,14 +66609,14 @@ _wrap_OBResidueAtomIter_NextNbrAtom(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NextNbrAtom" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2); vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, 0 | 0 ); return vresult; @@ -68713,7 +66948,7 @@ fail: SWIGINTERN VALUE _wrap_OBResidueAtomIter_InsertBond(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - std::vector::iterator *arg2 = 0 ; + std::vector::iterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; @@ -68730,14 +66965,14 @@ _wrap_OBResidueAtomIter_InsertBond(int argc, VALUE *argv, VALUE self) { SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InsertBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); } arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0 ); + res2 = SWIG_ConvertPtr(argv[0], &argp2, SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0 ); if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } if (!argp2) { - SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); + SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InsertBond" "', argument " "2"" of type '" "std::vector::iterator &""'"); } - arg2 = reinterpret_cast< std::vector::iterator * >(argp2); + arg2 = reinterpret_cast< std::vector::iterator * >(argp2); res3 = SWIG_ConvertPtr(argv[1], &argp3,SWIGTYPE_p_OpenBabel__OBBond, 0 | 0 ); if (!SWIG_IsOK(res3)) { SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'"); @@ -70359,256 +68594,6 @@ fail: } -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_Visit_set(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - bool arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - bool val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - ecode2 = SWIG_AsVal_bool(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Visit" "', argument " "2"" of type '" "bool""'"); - } - arg2 = static_cast< bool >(val2); - if (arg1) (*arg1)->Visit = arg2; - - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_Visit_get(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Visit" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (bool) ((*arg1)->Visit); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_GetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBGraphBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (OpenBabel::OBGraphBase *)(*arg1)->GetParent(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_SetParent(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBGraphBase *arg2 = (OpenBabel::OBGraphBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBGraphBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetParent" "', argument " "2"" of type '" "OpenBabel::OBGraphBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBGraphBase * >(argp2); - (*arg1)->SetParent(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_AddEdge(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBEdgeBase *arg2 = (OpenBabel::OBEdgeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AddEdge" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBEdgeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AddEdge" "', argument " "2"" of type '" "OpenBabel::OBEdgeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBEdgeBase * >(argp2); - (*arg1)->AddEdge(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_Error(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - int arg2 ; - void *argp1 = 0 ; - int res1 = 0 ; - int val2 ; - int ecode2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Error" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - ecode2 = SWIG_AsVal_int(argv[0], &val2); - if (!SWIG_IsOK(ecode2)) { - SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "Error" "', argument " "2"" of type '" "int""'"); - } - arg2 = static_cast< int >(val2); - (*arg1)->Error(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_SetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SetMatch" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SetMatch" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - (*arg1)->SetMatch(arg2); - return Qnil; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_Eval(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *arg2 = (OpenBabel::OBNodeBase *) 0 ; - bool result; - void *argp1 = 0 ; - int res1 = 0 ; - void *argp2 = 0 ; - int res2 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 1) || (argc > 1)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 1)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Eval" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - res2 = SWIG_ConvertPtr(argv[0], &argp2,SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - if (!SWIG_IsOK(res2)) { - SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Eval" "', argument " "2"" of type '" "OpenBabel::OBNodeBase *""'"); - } - arg2 = reinterpret_cast< OpenBabel::OBNodeBase * >(argp2); - result = (bool)(*arg1)->Eval(arg2); - vresult = SWIG_From_bool(static_cast< bool >(result)); - return vresult; -fail: - return Qnil; -} - - -SWIGINTERN VALUE -_wrap_OBResidueAtomIter_GetMatch(int argc, VALUE *argv, VALUE self) { - OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; - OpenBabel::OBNodeBase *result = 0 ; - void *argp1 = 0 ; - int res1 = 0 ; - VALUE vresult = Qnil; - - if ((argc < 0) || (argc > 0)) { - rb_raise(rb_eArgError, "wrong # of arguments(%d for 0)",argc); SWIG_fail; - } - res1 = SWIG_ConvertPtr(self, &argp1,SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 | 0 ); - if (!SWIG_IsOK(res1)) { - SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetMatch" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'"); - } - arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); - result = (OpenBabel::OBNodeBase *)(*arg1)->GetMatch(); - vresult = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNodeBase, 0 | 0 ); - return vresult; -fail: - return Qnil; -} - - SWIGINTERN VALUE _wrap_OBResidueAtomIter_DoTransformations(int argc, VALUE *argv, VALUE self) { OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; @@ -71304,74 +69289,17 @@ static void *_p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase(void *x) static void *_p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase(void *x) { return (void *)((OpenBabel::OBGlobalDataBase *) ((OpenBabel::OBElementTable *) x)); } -static void *_p_OpenBabel__OBMolTo_p_OpenBabel__OBGraphBase(void *x) { - return (void *)((OpenBabel::OBGraphBase *) ((OpenBabel::OBMol *) x)); -} -static void *_p_OpenBabel__OBAtomTo_p_OpenBabel__OBNodeBase(void *x) { - return (void *)((OpenBabel::OBNodeBase *) ((OpenBabel::OBAtom *) x)); -} static void *_p_OpenBabel__OBMolTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBGraphBase *) ((OpenBabel::OBMol *) x)); -} -static void *_p_OpenBabel__OBNodeBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBNodeBase *) x)); -} -static void *_p_OpenBabel__OBEdgeBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBEdgeBase *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBMol *) x)); } static void *_p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase(void *x) { return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBResidue *) x)); } -static void *_p_OpenBabel__OBGraphBaseTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBGraphBase *) x)); -} static void *_p_OpenBabel__OBBondTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBEdgeBase *) ((OpenBabel::OBBond *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBBond *) x)); } static void *_p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase(void *x) { - return (void *)((OpenBabel::OBBase *) (OpenBabel::OBNodeBase *) ((OpenBabel::OBAtom *) x)); -} -static void *_p_OpenBabel__OBBondTo_p_OpenBabel__OBEdgeBase(void *x) { - return (void *)((OpenBabel::OBEdgeBase *) ((OpenBabel::OBBond *) x)); -} -static void *_p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSymmetryData *) x)); -} -static void *_p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBConformerData *) x)); -} -static void *_p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBPairData *) x)); -} -static void *_p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSetData *) x)); -} -static void *_p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBVirtualBond *) x)); -} -static void *_p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSerialNums *) x)); -} -static void *_p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBRingData *) x)); -} -static void *_p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBUnitCell *) x)); -} -static void *_p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBExternalBondData *) x)); -} -static void *_p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBTorsionData *) x)); -} -static void *_p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBAngleData *) x)); -} -static void *_p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBChiralData *) x)); -} -static void *_p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData(void *x) { - return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBCommentData *) x)); + return (void *)((OpenBabel::OBBase *) ((OpenBabel::OBAtom *) x)); } static void *_p_p_OpenBabel__OBSymmetryDataTo_p_p_OpenBabel__OBGenericData(void *x) { return (void *)((OpenBabel::OBGenericData **) ((OpenBabel::OBSymmetryData **) x)); @@ -71412,6 +69340,45 @@ static void *_p_p_OpenBabel__OBChiralDataTo_p_p_OpenBabel__OBGenericData(void *x static void *_p_p_OpenBabel__OBCommentDataTo_p_p_OpenBabel__OBGenericData(void *x) { return (void *)((OpenBabel::OBGenericData **) ((OpenBabel::OBCommentData **) x)); } +static void *_p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSymmetryData *) x)); +} +static void *_p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBConformerData *) x)); +} +static void *_p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBPairData *) x)); +} +static void *_p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSetData *) x)); +} +static void *_p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBVirtualBond *) x)); +} +static void *_p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBSerialNums *) x)); +} +static void *_p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBRingData *) x)); +} +static void *_p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBUnitCell *) x)); +} +static void *_p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBExternalBondData *) x)); +} +static void *_p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBTorsionData *) x)); +} +static void *_p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBAngleData *) x)); +} +static void *_p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBChiralData *) x)); +} +static void *_p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData(void *x) { + return (void *)((OpenBabel::OBGenericData *) ((OpenBabel::OBCommentData *) x)); +} static swig_type_info _swigt__p_OpenBabel__CharPtrLess = {"_p_OpenBabel__CharPtrLess", "OpenBabel::CharPtrLess *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__DoubleType = {"_p_OpenBabel__DoubleType", "OpenBabel::DoubleType *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__FMapType__iterator = {"_p_OpenBabel__FMapType__iterator", "OpenBabel::FMapType::iterator *|OpenBabel::Formatpos *", 0, 0, (void*)0, 0}; @@ -71430,7 +69397,6 @@ static swig_type_info _swigt__p_OpenBabel__OBChiralData = {"_p_OpenBabel__OBChir static swig_type_info _swigt__p_OpenBabel__OBCommentData = {"_p_OpenBabel__OBCommentData", "OpenBabel::OBCommentData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBConformerData = {"_p_OpenBabel__OBConformerData", "OpenBabel::OBConformerData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBConversion = {"_p_OpenBabel__OBConversion", "OpenBabel::OBConversion *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_OpenBabel__OBEdgeBase = {"_p_OpenBabel__OBEdgeBase", "OpenBabel::OBEdgeBase *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBElement = {"_p_OpenBabel__OBElement", "OpenBabel::OBElement *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBElementTable = {"_p_OpenBabel__OBElementTable", "OpenBabel::OBElementTable *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBError = {"_p_OpenBabel__OBError", "OpenBabel::OBError *", 0, 0, (void*)0, 0}; @@ -71439,7 +69405,6 @@ static swig_type_info _swigt__p_OpenBabel__OBExternalBondData = {"_p_OpenBabel__ static swig_type_info _swigt__p_OpenBabel__OBFormat = {"_p_OpenBabel__OBFormat", "OpenBabel::OBFormat *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBGenericData = {"_p_OpenBabel__OBGenericData", "OpenBabel::OBGenericData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBGlobalDataBase = {"_p_OpenBabel__OBGlobalDataBase", "OpenBabel::OBGlobalDataBase *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_OpenBabel__OBGraphBase = {"_p_OpenBabel__OBGraphBase", "OpenBabel::OBGraphBase *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBInternalCoord = {"_p_OpenBabel__OBInternalCoord", "OpenBabel::OBInternalCoord *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBIsotopeTable = {"_p_OpenBabel__OBIsotopeTable", "OpenBabel::OBIsotopeTable *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBMessageHandler = {"_p_OpenBabel__OBMessageHandler", "OpenBabel::OBMessageHandler *", 0, 0, (void*)0, 0}; @@ -71448,7 +69413,6 @@ static swig_type_info _swigt__p_OpenBabel__OBMolAtomBFSIter = {"_p_OpenBabel__OB static swig_type_info _swigt__p_OpenBabel__OBMolAtomDFSIter = {"_p_OpenBabel__OBMolAtomDFSIter", "OpenBabel::OBMolAtomDFSIter *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBMolAtomIter = {"_p_OpenBabel__OBMolAtomIter", "OpenBabel::OBMolAtomIter *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBMolBondIter = {"_p_OpenBabel__OBMolBondIter", "OpenBabel::OBMolBondIter *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_OpenBabel__OBNodeBase = {"_p_OpenBabel__OBNodeBase", "OpenBabel::OBNodeBase *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBPairData = {"_p_OpenBabel__OBPairData", "OpenBabel::OBPairData *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBRTree = {"_p_OpenBabel__OBRTree", "OpenBabel::OBRTree *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_OpenBabel__OBRandom = {"_p_OpenBabel__OBRandom", "OpenBabel::OBRandom *", 0, 0, (void*)0, 0}; @@ -71515,16 +69479,14 @@ static swig_type_info _swigt__p_std__type_info = {"_p_std__type_info", "std::typ static swig_type_info _swigt__p_std__vectorTOpenBabel__OBAtom_p_t = {"_p_std__vectorTOpenBabel__OBAtom_p_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBAtom_p_t__iterator = {"_p_std__vectorTOpenBabel__OBAtom_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_p_t = {"_p_std__vectorTOpenBabel__OBBond_p_t", "std::vector *", 0, 0, (void*)0, 0}; +static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_p_t__iterator = {"_p_std__vectorTOpenBabel__OBBond_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBBond_t = {"_p_std__vectorTOpenBabel__OBBond_t", "std::vector *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator = {"_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBExternalBond_t = {"_p_std__vectorTOpenBabel__OBExternalBond_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBGenericData_p_t = {"_p_std__vectorTOpenBabel__OBGenericData_p_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator = {"_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t = {"_p_std__vectorTOpenBabel__OBInternalCoord_p_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator = {"_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBMol_t = {"_p_std__vectorTOpenBabel__OBMol_t", "std::vector *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t = {"_p_std__vectorTOpenBabel__OBNodeBase_p_t", "std::vector *", 0, 0, (void*)0, 0}; -static swig_type_info _swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator = {"_p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBResidue_p_t__iterator = {"_p_std__vectorTOpenBabel__OBResidue_p_t__iterator", "std::vector::iterator *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBResidue_t = {"_p_std__vectorTOpenBabel__OBResidue_t", "std::vector *", 0, 0, (void*)0, 0}; static swig_type_info _swigt__p_std__vectorTOpenBabel__OBRing_p_t = {"_p_std__vectorTOpenBabel__OBRing_p_t", "std::vector *", 0, 0, (void*)0, 0}; @@ -71567,7 +69529,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBCommentData, &_swigt__p_OpenBabel__OBConformerData, &_swigt__p_OpenBabel__OBConversion, - &_swigt__p_OpenBabel__OBEdgeBase, &_swigt__p_OpenBabel__OBElement, &_swigt__p_OpenBabel__OBElementTable, &_swigt__p_OpenBabel__OBError, @@ -71576,7 +69537,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBFormat, &_swigt__p_OpenBabel__OBGenericData, &_swigt__p_OpenBabel__OBGlobalDataBase, - &_swigt__p_OpenBabel__OBGraphBase, &_swigt__p_OpenBabel__OBInternalCoord, &_swigt__p_OpenBabel__OBIsotopeTable, &_swigt__p_OpenBabel__OBMessageHandler, @@ -71585,7 +69545,6 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_OpenBabel__OBMolAtomDFSIter, &_swigt__p_OpenBabel__OBMolAtomIter, &_swigt__p_OpenBabel__OBMolBondIter, - &_swigt__p_OpenBabel__OBNodeBase, &_swigt__p_OpenBabel__OBPairData, &_swigt__p_OpenBabel__OBRTree, &_swigt__p_OpenBabel__OBRandom, @@ -71652,16 +69611,14 @@ static swig_type_info *swig_type_initial[] = { &_swigt__p_std__vectorTOpenBabel__OBAtom_p_t, &_swigt__p_std__vectorTOpenBabel__OBAtom_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBBond_p_t, + &_swigt__p_std__vectorTOpenBabel__OBBond_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBBond_t, - &_swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBExternalBond_t, &_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t, &_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t, &_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBMol_t, - &_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t, - &_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBResidue_p_t__iterator, &_swigt__p_std__vectorTOpenBabel__OBResidue_t, &_swigt__p_std__vectorTOpenBabel__OBRing_p_t, @@ -71696,7 +69653,7 @@ static swig_cast_info _swigc__p_OpenBabel__OBAtom[] = { {&_swigt__p_OpenBabel__ static swig_cast_info _swigc__p_OpenBabel__OBAtomAtomIter[] = { {&_swigt__p_OpenBabel__OBAtomAtomIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBAtomBondIter[] = { {&_swigt__p_OpenBabel__OBAtomBondIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBAtomTyper[] = { {&_swigt__p_OpenBabel__OBAtomTyper, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBNodeBase, _p_OpenBabel__OBNodeBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBEdgeBase, _p_OpenBabel__OBEdgeBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBResidue, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBGraphBase, _p_OpenBabel__OBGraphBaseTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase, 0, 0},{0, 0, 0, 0}}; +static swig_cast_info _swigc__p_OpenBabel__OBBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBResidue, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBBitVec[] = { {&_swigt__p_OpenBabel__OBBitVec, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBBond[] = { {&_swigt__p_OpenBabel__OBBond, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBChainsParser[] = { {&_swigt__p_OpenBabel__OBChainsParser, 0, 0, 0},{0, 0, 0, 0}}; @@ -71704,7 +69661,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBChiralData[] = { {&_swigt__p_OpenB static swig_cast_info _swigc__p_OpenBabel__OBCommentData[] = { {&_swigt__p_OpenBabel__OBCommentData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBConformerData[] = { {&_swigt__p_OpenBabel__OBConformerData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBConversion[] = { {&_swigt__p_OpenBabel__OBConversion, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBEdgeBase[] = { {&_swigt__p_OpenBabel__OBEdgeBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBEdgeBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBElement[] = { {&_swigt__p_OpenBabel__OBElement, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBElementTable[] = { {&_swigt__p_OpenBabel__OBElementTable, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBError[] = { {&_swigt__p_OpenBabel__OBError, 0, 0, 0},{0, 0, 0, 0}}; @@ -71713,7 +69669,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBExternalBondData[] = { {&_swigt__p static swig_cast_info _swigc__p_OpenBabel__OBFormat[] = { {&_swigt__p_OpenBabel__OBFormat, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBGenericData[] = { {&_swigt__p_OpenBabel__OBTorsionData, _p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBPairData, _p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBAngleData, _p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBChiralData, _p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBRingData, _p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSerialNums, _p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBExternalBondData, _p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSetData, _p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBSymmetryData, _p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBCommentData, _p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBVirtualBond, _p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBConformerData, _p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData, 0, 0}, {&_swigt__p_OpenBabel__OBGenericData, 0, 0, 0}, {&_swigt__p_OpenBabel__OBUnitCell, _p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBGlobalDataBase[] = { {&_swigt__p_OpenBabel__OBAtomTyper, _p_OpenBabel__OBAtomTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBAromaticTyper, _p_OpenBabel__OBAromaticTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBGlobalDataBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBResidueData, _p_OpenBabel__OBResidueDataTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBIsotopeTable, _p_OpenBabel__OBIsotopeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBTypeTable, _p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0}, {&_swigt__p_OpenBabel__OBElementTable, _p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBGraphBase[] = { {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBGraphBase, 0, 0}, {&_swigt__p_OpenBabel__OBGraphBase, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBInternalCoord[] = { {&_swigt__p_OpenBabel__OBInternalCoord, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBIsotopeTable[] = { {&_swigt__p_OpenBabel__OBIsotopeTable, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMessageHandler[] = { {&_swigt__p_OpenBabel__OBMessageHandler, 0, 0, 0},{0, 0, 0, 0}}; @@ -71722,7 +69677,6 @@ static swig_cast_info _swigc__p_OpenBabel__OBMolAtomBFSIter[] = { {&_swigt__p_O static swig_cast_info _swigc__p_OpenBabel__OBMolAtomDFSIter[] = { {&_swigt__p_OpenBabel__OBMolAtomDFSIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMolAtomIter[] = { {&_swigt__p_OpenBabel__OBMolAtomIter, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBMolBondIter[] = { {&_swigt__p_OpenBabel__OBMolBondIter, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_OpenBabel__OBNodeBase[] = { {&_swigt__p_OpenBabel__OBNodeBase, 0, 0, 0}, {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBNodeBase, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBPairData[] = { {&_swigt__p_OpenBabel__OBPairData, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBRTree[] = { {&_swigt__p_OpenBabel__OBRTree, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_OpenBabel__OBRandom[] = { {&_swigt__p_OpenBabel__OBRandom, 0, 0, 0},{0, 0, 0, 0}}; @@ -71789,16 +69743,14 @@ static swig_cast_info _swigc__p_std__type_info[] = { {&_swigt__p_std__type_info static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBAtom_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBAtom_p_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBAtom_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBAtom_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_p_t, 0, 0, 0},{0, 0, 0, 0}}; +static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBBond_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBBond_t, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBExternalBond_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBExternalBond_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBMol_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBMol_t, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t, 0, 0, 0},{0, 0, 0, 0}}; -static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBResidue_p_t__iterator[] = { {&_swigt__p_std__vectorTOpenBabel__OBResidue_p_t__iterator, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBResidue_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBResidue_t, 0, 0, 0},{0, 0, 0, 0}}; static swig_cast_info _swigc__p_std__vectorTOpenBabel__OBRing_p_t[] = { {&_swigt__p_std__vectorTOpenBabel__OBRing_p_t, 0, 0, 0},{0, 0, 0, 0}}; @@ -71841,7 +69793,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBCommentData, _swigc__p_OpenBabel__OBConformerData, _swigc__p_OpenBabel__OBConversion, - _swigc__p_OpenBabel__OBEdgeBase, _swigc__p_OpenBabel__OBElement, _swigc__p_OpenBabel__OBElementTable, _swigc__p_OpenBabel__OBError, @@ -71850,7 +69801,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBFormat, _swigc__p_OpenBabel__OBGenericData, _swigc__p_OpenBabel__OBGlobalDataBase, - _swigc__p_OpenBabel__OBGraphBase, _swigc__p_OpenBabel__OBInternalCoord, _swigc__p_OpenBabel__OBIsotopeTable, _swigc__p_OpenBabel__OBMessageHandler, @@ -71859,7 +69809,6 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_OpenBabel__OBMolAtomDFSIter, _swigc__p_OpenBabel__OBMolAtomIter, _swigc__p_OpenBabel__OBMolBondIter, - _swigc__p_OpenBabel__OBNodeBase, _swigc__p_OpenBabel__OBPairData, _swigc__p_OpenBabel__OBRTree, _swigc__p_OpenBabel__OBRandom, @@ -71926,16 +69875,14 @@ static swig_cast_info *swig_cast_initial[] = { _swigc__p_std__vectorTOpenBabel__OBAtom_p_t, _swigc__p_std__vectorTOpenBabel__OBAtom_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBBond_p_t, + _swigc__p_std__vectorTOpenBabel__OBBond_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBBond_t, - _swigc__p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBExternalBond_t, _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t, _swigc__p_std__vectorTOpenBabel__OBGenericData_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t, _swigc__p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBMol_t, - _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t, - _swigc__p_std__vectorTOpenBabel__OBNodeBase_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBResidue_p_t__iterator, _swigc__p_std__vectorTOpenBabel__OBResidue_t, _swigc__p_std__vectorTOpenBabel__OBRing_p_t, @@ -72857,79 +70804,6 @@ SWIGEXPORT void Init_openbabel(void) { cOBBase.mark = 0; cOBBase.destroy = (void (*)(void *)) free_OpenBabel_OBBase; cOBBase.trackObjects = 0; - - cOBNodeBase.klass = rb_define_class_under(mOpenbabel, "OBNodeBase", ((swig_class *) SWIGTYPE_p_OpenBabel__OBBase->clientdata)->klass); - SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBNodeBase, (void *) &cOBNodeBase); - rb_define_alloc_func(cOBNodeBase.klass, _wrap_OBNodeBase_allocate); - rb_define_method(cOBNodeBase.klass, "initialize", VALUEFUNC(_wrap_new_OBNodeBase), -1); - rb_define_method(cOBNodeBase.klass, "Visit=", VALUEFUNC(_wrap_OBNodeBase_Visit_set), -1); - rb_define_method(cOBNodeBase.klass, "Visit", VALUEFUNC(_wrap_OBNodeBase_Visit_get), -1); - rb_define_method(cOBNodeBase.klass, "GetIdx", VALUEFUNC(_wrap_OBNodeBase_GetIdx), -1); - rb_define_method(cOBNodeBase.klass, "SetIdx", VALUEFUNC(_wrap_OBNodeBase_SetIdx), -1); - rb_define_method(cOBNodeBase.klass, "GetParent", VALUEFUNC(_wrap_OBNodeBase_GetParent), -1); - rb_define_method(cOBNodeBase.klass, "SetParent", VALUEFUNC(_wrap_OBNodeBase_SetParent), -1); - rb_define_method(cOBNodeBase.klass, "AddEdge", VALUEFUNC(_wrap_OBNodeBase_AddEdge), -1); - rb_define_method(cOBNodeBase.klass, "GetValence", VALUEFUNC(_wrap_OBNodeBase_GetValence), -1); - rb_define_method(cOBNodeBase.klass, "IsConnected", VALUEFUNC(_wrap_OBNodeBase_IsConnected), -1); - rb_define_method(cOBNodeBase.klass, "Error", VALUEFUNC(_wrap_OBNodeBase_Error), -1); - rb_define_method(cOBNodeBase.klass, "GetFormalCharge", VALUEFUNC(_wrap_OBNodeBase_GetFormalCharge), -1); - rb_define_method(cOBNodeBase.klass, "ExplicitHydrogenCount", VALUEFUNC(_wrap_OBNodeBase_ExplicitHydrogenCount), -1); - rb_define_method(cOBNodeBase.klass, "ImplicitHydrogenCount", VALUEFUNC(_wrap_OBNodeBase_ImplicitHydrogenCount), -1); - rb_define_method(cOBNodeBase.klass, "GetImplicitValence", VALUEFUNC(_wrap_OBNodeBase_GetImplicitValence), -1); - rb_define_method(cOBNodeBase.klass, "GetHvyValence", VALUEFUNC(_wrap_OBNodeBase_GetHvyValence), -1); - rb_define_method(cOBNodeBase.klass, "KBOSum", VALUEFUNC(_wrap_OBNodeBase_KBOSum), -1); - rb_define_method(cOBNodeBase.klass, "GetHyb", VALUEFUNC(_wrap_OBNodeBase_GetHyb), -1); - rb_define_method(cOBNodeBase.klass, "MemberOfRingCount", VALUEFUNC(_wrap_OBNodeBase_MemberOfRingCount), -1); - rb_define_method(cOBNodeBase.klass, "GetAtomicNum", VALUEFUNC(_wrap_OBNodeBase_GetAtomicNum), -1); - rb_define_method(cOBNodeBase.klass, "SetMatch", VALUEFUNC(_wrap_OBNodeBase_SetMatch), -1); - rb_define_method(cOBNodeBase.klass, "SetAromatic", VALUEFUNC(_wrap_OBNodeBase_SetAromatic), -1); - rb_define_method(cOBNodeBase.klass, "IsInRingSize", VALUEFUNC(_wrap_OBNodeBase_IsInRingSize), -1); - rb_define_method(cOBNodeBase.klass, "IsAromatic", VALUEFUNC(_wrap_OBNodeBase_IsAromatic), -1); - rb_define_method(cOBNodeBase.klass, "IsInRing", VALUEFUNC(_wrap_OBNodeBase_IsInRing), -1); - rb_define_method(cOBNodeBase.klass, "Eval", VALUEFUNC(_wrap_OBNodeBase_Eval), -1); - rb_define_method(cOBNodeBase.klass, "GetMatch", VALUEFUNC(_wrap_OBNodeBase_GetMatch), -1); - cOBNodeBase.mark = 0; - cOBNodeBase.destroy = (void (*)(void *)) free_OpenBabel_OBNodeBase; - cOBNodeBase.trackObjects = 0; - - cOBEdgeBase.klass = rb_define_class_under(mOpenbabel, "OBEdgeBase", ((swig_class *) SWIGTYPE_p_OpenBabel__OBBase->clientdata)->klass); - SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBEdgeBase, (void *) &cOBEdgeBase); - rb_define_alloc_func(cOBEdgeBase.klass, _wrap_OBEdgeBase_allocate); - rb_define_method(cOBEdgeBase.klass, "initialize", VALUEFUNC(_wrap_new_OBEdgeBase), -1); - rb_define_method(cOBEdgeBase.klass, "Visit=", VALUEFUNC(_wrap_OBEdgeBase_Visit_set), -1); - rb_define_method(cOBEdgeBase.klass, "Visit", VALUEFUNC(_wrap_OBEdgeBase_Visit_get), -1); - rb_define_method(cOBEdgeBase.klass, "GetParent", VALUEFUNC(_wrap_OBEdgeBase_GetParent), -1); - rb_define_method(cOBEdgeBase.klass, "SetParent", VALUEFUNC(_wrap_OBEdgeBase_SetParent), -1); - rb_define_method(cOBEdgeBase.klass, "GetIdx", VALUEFUNC(_wrap_OBEdgeBase_GetIdx), -1); - rb_define_method(cOBEdgeBase.klass, "SetIdx", VALUEFUNC(_wrap_OBEdgeBase_SetIdx), -1); - rb_define_method(cOBEdgeBase.klass, "SetBgn", VALUEFUNC(_wrap_OBEdgeBase_SetBgn), -1); - rb_define_method(cOBEdgeBase.klass, "SetEnd", VALUEFUNC(_wrap_OBEdgeBase_SetEnd), -1); - rb_define_method(cOBEdgeBase.klass, "SwapEnds", VALUEFUNC(_wrap_OBEdgeBase_SwapEnds), -1); - rb_define_method(cOBEdgeBase.klass, "GetBgn", VALUEFUNC(_wrap_OBEdgeBase_GetBgn), -1); - rb_define_method(cOBEdgeBase.klass, "GetEnd", VALUEFUNC(_wrap_OBEdgeBase_GetEnd), -1); - rb_define_method(cOBEdgeBase.klass, "Error", VALUEFUNC(_wrap_OBEdgeBase_Error), -1); - rb_define_method(cOBEdgeBase.klass, "SetClosure", VALUEFUNC(_wrap_OBEdgeBase_SetClosure), -1); - rb_define_method(cOBEdgeBase.klass, "IsAromatic", VALUEFUNC(_wrap_OBEdgeBase_IsAromatic), -1); - rb_define_method(cOBEdgeBase.klass, "IsInRing", VALUEFUNC(_wrap_OBEdgeBase_IsInRing), -1); - rb_define_method(cOBEdgeBase.klass, "IsClosure", VALUEFUNC(_wrap_OBEdgeBase_IsClosure), -1); - rb_define_method(cOBEdgeBase.klass, "Eval", VALUEFUNC(_wrap_OBEdgeBase_Eval), -1); - rb_define_method(cOBEdgeBase.klass, "GetBO", VALUEFUNC(_wrap_OBEdgeBase_GetBO), -1); - cOBEdgeBase.mark = 0; - cOBEdgeBase.destroy = (void (*)(void *)) free_OpenBabel_OBEdgeBase; - cOBEdgeBase.trackObjects = 0; - - cOBGraphBase.klass = rb_define_class_under(mOpenbabel, "OBGraphBase", ((swig_class *) SWIGTYPE_p_OpenBabel__OBBase->clientdata)->klass); - SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBGraphBase, (void *) &cOBGraphBase); - rb_define_alloc_func(cOBGraphBase.klass, _wrap_OBGraphBase_allocate); - rb_define_method(cOBGraphBase.klass, "initialize", VALUEFUNC(_wrap_new_OBGraphBase), -1); - rb_define_method(cOBGraphBase.klass, "NumNodes", VALUEFUNC(_wrap_OBGraphBase_NumNodes), -1); - rb_define_method(cOBGraphBase.klass, "NumEdges", VALUEFUNC(_wrap_OBGraphBase_NumEdges), -1); - rb_define_method(cOBGraphBase.klass, "ResetVisitFlags", VALUEFUNC(_wrap_OBGraphBase_ResetVisitFlags), -1); - rb_define_method(cOBGraphBase.klass, "SetVisitLock", VALUEFUNC(_wrap_OBGraphBase_SetVisitLock), -1); - rb_define_method(cOBGraphBase.klass, "GetVisitLock", VALUEFUNC(_wrap_OBGraphBase_GetVisitLock), -1); - cOBGraphBase.mark = 0; - cOBGraphBase.destroy = (void (*)(void *)) free_OpenBabel_OBGraphBase; - cOBGraphBase.trackObjects = 0; rb_define_const(mOpenbabel, "ObError", SWIG_From_int(static_cast< int >(OpenBabel::obError))); rb_define_const(mOpenbabel, "ObWarning", SWIG_From_int(static_cast< int >(OpenBabel::obWarning))); rb_define_const(mOpenbabel, "ObInfo", SWIG_From_int(static_cast< int >(OpenBabel::obInfo))); @@ -73114,6 +70988,8 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBResidue.klass, "GetResidueProperty", VALUEFUNC(_wrap_OBResidue_GetResidueProperty), -1); rb_define_method(cOBResidue.klass, "IsHetAtom", VALUEFUNC(_wrap_OBResidue_IsHetAtom), -1); rb_define_method(cOBResidue.klass, "IsResidueType", VALUEFUNC(_wrap_OBResidue_IsResidueType), -1); + rb_define_method(cOBResidue.klass, "BeginAtoms", VALUEFUNC(_wrap_OBResidue_BeginAtoms), -1); + rb_define_method(cOBResidue.klass, "EndAtoms", VALUEFUNC(_wrap_OBResidue_EndAtoms), -1); rb_define_method(cOBResidue.klass, "BeginAtom", VALUEFUNC(_wrap_OBResidue_BeginAtom), -1); rb_define_method(cOBResidue.klass, "NextAtom", VALUEFUNC(_wrap_OBResidue_NextAtom), -1); cOBResidue.mark = 0; @@ -73250,10 +71126,12 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_const(mOpenbabel, "OB_NEG_CHIRAL_ATOM", SWIG_From_int(static_cast< int >((1 << 11)))); rb_define_const(mOpenbabel, "OB_ATOM_HAS_NO_H", SWIG_From_int(static_cast< int >((1 << 12)))); - cOBAtom.klass = rb_define_class_under(mOpenbabel, "OBAtom", ((swig_class *) SWIGTYPE_p_OpenBabel__OBNodeBase->clientdata)->klass); + cOBAtom.klass = rb_define_class_under(mOpenbabel, "OBAtom", ((swig_class *) SWIGTYPE_p_OpenBabel__OBBase->clientdata)->klass); SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBAtom, (void *) &cOBAtom); rb_define_alloc_func(cOBAtom.klass, _wrap_OBAtom_allocate); rb_define_method(cOBAtom.klass, "initialize", VALUEFUNC(_wrap_new_OBAtom), -1); + rb_define_method(cOBAtom.klass, "Visit=", VALUEFUNC(_wrap_OBAtom_Visit_set), -1); + rb_define_method(cOBAtom.klass, "Visit", VALUEFUNC(_wrap_OBAtom_Visit_get), -1); rb_define_method(cOBAtom.klass, "Clear", VALUEFUNC(_wrap_OBAtom_Clear), -1); rb_define_method(cOBAtom.klass, "SetIdx", VALUEFUNC(_wrap_OBAtom_SetIdx), -1); rb_define_method(cOBAtom.klass, "SetHyb", VALUEFUNC(_wrap_OBAtom_SetHyb), -1); @@ -73269,6 +71147,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtom.klass, "SetCoordPtr", VALUEFUNC(_wrap_OBAtom_SetCoordPtr), -1); rb_define_method(cOBAtom.klass, "SetVector", VALUEFUNC(_wrap_OBAtom_SetVector), -1); rb_define_method(cOBAtom.klass, "SetResidue", VALUEFUNC(_wrap_OBAtom_SetResidue), -1); + rb_define_method(cOBAtom.klass, "SetParent", VALUEFUNC(_wrap_OBAtom_SetParent), -1); rb_define_method(cOBAtom.klass, "SetAromatic", VALUEFUNC(_wrap_OBAtom_SetAromatic), -1); rb_define_method(cOBAtom.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBAtom_UnsetAromatic), -1); rb_define_method(cOBAtom.klass, "SetClockwiseStereo", VALUEFUNC(_wrap_OBAtom_SetClockwiseStereo), -1); @@ -73304,6 +71183,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtom.klass, "GetVector", VALUEFUNC(_wrap_OBAtom_GetVector), -1); rb_define_method(cOBAtom.klass, "GetPartialCharge", VALUEFUNC(_wrap_OBAtom_GetPartialCharge), -1); rb_define_method(cOBAtom.klass, "GetResidue", VALUEFUNC(_wrap_OBAtom_GetResidue), -1); + rb_define_method(cOBAtom.klass, "GetParent", VALUEFUNC(_wrap_OBAtom_GetParent), -1); rb_define_method(cOBAtom.klass, "GetNewBondVector", VALUEFUNC(_wrap_OBAtom_GetNewBondVector), -1); rb_define_method(cOBAtom.klass, "GetBond", VALUEFUNC(_wrap_OBAtom_GetBond), -1); rb_define_method(cOBAtom.klass, "GetNextAtom", VALUEFUNC(_wrap_OBAtom_GetNextAtom), -1); @@ -73391,14 +71271,17 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_const(mOpenbabel, "OB_KTRIPLE_BOND", SWIG_From_int(static_cast< int >((1 << 9)))); rb_define_const(mOpenbabel, "OB_CLOSURE_BOND", SWIG_From_int(static_cast< int >((1 << 10)))); - cOBBond.klass = rb_define_class_under(mOpenbabel, "OBBond", ((swig_class *) SWIGTYPE_p_OpenBabel__OBEdgeBase->clientdata)->klass); + cOBBond.klass = rb_define_class_under(mOpenbabel, "OBBond", ((swig_class *) SWIGTYPE_p_OpenBabel__OBBase->clientdata)->klass); SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBBond, (void *) &cOBBond); rb_define_alloc_func(cOBBond.klass, _wrap_OBBond_allocate); rb_define_method(cOBBond.klass, "initialize", VALUEFUNC(_wrap_new_OBBond), -1); + rb_define_method(cOBBond.klass, "Visit=", VALUEFUNC(_wrap_OBBond_Visit_set), -1); + rb_define_method(cOBBond.klass, "Visit", VALUEFUNC(_wrap_OBBond_Visit_get), -1); rb_define_method(cOBBond.klass, "SetIdx", VALUEFUNC(_wrap_OBBond_SetIdx), -1); rb_define_method(cOBBond.klass, "SetBO", VALUEFUNC(_wrap_OBBond_SetBO), -1); rb_define_method(cOBBond.klass, "SetBegin", VALUEFUNC(_wrap_OBBond_SetBegin), -1); rb_define_method(cOBBond.klass, "SetEnd", VALUEFUNC(_wrap_OBBond_SetEnd), -1); + rb_define_method(cOBBond.klass, "SetParent", VALUEFUNC(_wrap_OBBond_SetParent), -1); rb_define_method(cOBBond.klass, "SetLength", VALUEFUNC(_wrap_OBBond_SetLength), -1); rb_define_method(cOBBond.klass, "Set", VALUEFUNC(_wrap_OBBond_Set), -1); rb_define_method(cOBBond.klass, "SetKSingle", VALUEFUNC(_wrap_OBBond_SetKSingle), -1); @@ -73417,6 +71300,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBBond.klass, "UnsetDown", VALUEFUNC(_wrap_OBBond_UnsetDown), -1); rb_define_method(cOBBond.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBBond_UnsetAromatic), -1); rb_define_method(cOBBond.klass, "UnsetKekule", VALUEFUNC(_wrap_OBBond_UnsetKekule), -1); + rb_define_method(cOBBond.klass, "GetIdx", VALUEFUNC(_wrap_OBBond_GetIdx), -1); rb_define_method(cOBBond.klass, "GetBO", VALUEFUNC(_wrap_OBBond_GetBO), -1); rb_define_method(cOBBond.klass, "GetBondOrder", VALUEFUNC(_wrap_OBBond_GetBondOrder), -1); rb_define_method(cOBBond.klass, "GetFlags", VALUEFUNC(_wrap_OBBond_GetFlags), -1); @@ -73425,6 +71309,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBBond.klass, "GetBeginAtom", VALUEFUNC(_wrap_OBBond_GetBeginAtom), -1); rb_define_method(cOBBond.klass, "GetEndAtom", VALUEFUNC(_wrap_OBBond_GetEndAtom), -1); rb_define_method(cOBBond.klass, "GetNbrAtom", VALUEFUNC(_wrap_OBBond_GetNbrAtom), -1); + rb_define_method(cOBBond.klass, "GetParent", VALUEFUNC(_wrap_OBBond_GetParent), -1); rb_define_method(cOBBond.klass, "GetEquibLength", VALUEFUNC(_wrap_OBBond_GetEquibLength), -1); rb_define_method(cOBBond.klass, "GetLength", VALUEFUNC(_wrap_OBBond_GetLength), -1); rb_define_method(cOBBond.klass, "GetNbrAtomIdx", VALUEFUNC(_wrap_OBBond_GetNbrAtomIdx), -1); @@ -73469,7 +71354,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_const(mOpenbabel, "OB_TSPIN_MOL", SWIG_From_int(static_cast< int >((1 << 17)))); rb_define_const(mOpenbabel, "OB_CURRENT_CONFORMER", SWIG_From_int(static_cast< int >(-1))); - cOBMol.klass = rb_define_class_under(mOpenbabel, "OBMol", ((swig_class *) SWIGTYPE_p_OpenBabel__OBGraphBase->clientdata)->klass); + cOBMol.klass = rb_define_class_under(mOpenbabel, "OBMol", ((swig_class *) SWIGTYPE_p_OpenBabel__OBBase->clientdata)->klass); SWIG_TypeClientData(SWIGTYPE_p_OpenBabel__OBMol, (void *) &cOBMol); rb_define_alloc_func(cOBMol.klass, _wrap_OBMol_allocate); rb_define_method(cOBMol.klass, "initialize", VALUEFUNC(_wrap_new_OBMol), -1); @@ -73613,6 +71498,12 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMol.klass, "BeginConformer", VALUEFUNC(_wrap_OBMol_BeginConformer), -1); rb_define_method(cOBMol.klass, "NextConformer", VALUEFUNC(_wrap_OBMol_NextConformer), -1); rb_define_method(cOBMol.klass, "GetConformers", VALUEFUNC(_wrap_OBMol_GetConformers), -1); + rb_define_method(cOBMol.klass, "BeginAtoms", VALUEFUNC(_wrap_OBMol_BeginAtoms), -1); + rb_define_method(cOBMol.klass, "EndAtoms", VALUEFUNC(_wrap_OBMol_EndAtoms), -1); + rb_define_method(cOBMol.klass, "BeginBonds", VALUEFUNC(_wrap_OBMol_BeginBonds), -1); + rb_define_method(cOBMol.klass, "EndBonds", VALUEFUNC(_wrap_OBMol_EndBonds), -1); + rb_define_method(cOBMol.klass, "BeginResidues", VALUEFUNC(_wrap_OBMol_BeginResidues), -1); + rb_define_method(cOBMol.klass, "EndResidues", VALUEFUNC(_wrap_OBMol_EndResidues), -1); rb_define_method(cOBMol.klass, "BeginAtom", VALUEFUNC(_wrap_OBMol_BeginAtom), -1); rb_define_method(cOBMol.klass, "NextAtom", VALUEFUNC(_wrap_OBMol_NextAtom), -1); rb_define_method(cOBMol.klass, "BeginBond", VALUEFUNC(_wrap_OBMol_BeginBond), -1); @@ -73739,6 +71630,8 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomIter.klass, "inc", VALUEFUNC(_wrap_OBMolAtomIter_inc), -1); rb_define_method(cOBMolAtomIter.klass, "deref", VALUEFUNC(_wrap_OBMolAtomIter_deref), -1); rb_define_method(cOBMolAtomIter.klass, "__ref__", VALUEFUNC(_wrap_OBMolAtomIter___ref__), -1); + rb_define_method(cOBMolAtomIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolAtomIter_Visit_set), -1); + rb_define_method(cOBMolAtomIter.klass, "Visit", VALUEFUNC(_wrap_OBMolAtomIter_Visit_get), -1); rb_define_method(cOBMolAtomIter.klass, "Clear", VALUEFUNC(_wrap_OBMolAtomIter_Clear), -1); rb_define_method(cOBMolAtomIter.klass, "SetIdx", VALUEFUNC(_wrap_OBMolAtomIter_SetIdx), -1); rb_define_method(cOBMolAtomIter.klass, "SetHyb", VALUEFUNC(_wrap_OBMolAtomIter_SetHyb), -1); @@ -73754,6 +71647,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomIter.klass, "SetVector", VALUEFUNC(_wrap_OBMolAtomIter_SetVector), -1); rb_define_method(cOBMolAtomIter.klass, "SetCoordPtr", VALUEFUNC(_wrap_OBMolAtomIter_SetCoordPtr), -1); rb_define_method(cOBMolAtomIter.klass, "SetResidue", VALUEFUNC(_wrap_OBMolAtomIter_SetResidue), -1); + rb_define_method(cOBMolAtomIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolAtomIter_SetParent), -1); rb_define_method(cOBMolAtomIter.klass, "SetAromatic", VALUEFUNC(_wrap_OBMolAtomIter_SetAromatic), -1); rb_define_method(cOBMolAtomIter.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBMolAtomIter_UnsetAromatic), -1); rb_define_method(cOBMolAtomIter.klass, "SetClockwiseStereo", VALUEFUNC(_wrap_OBMolAtomIter_SetClockwiseStereo), -1); @@ -73789,6 +71683,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomIter.klass, "GetVector", VALUEFUNC(_wrap_OBMolAtomIter_GetVector), -1); rb_define_method(cOBMolAtomIter.klass, "GetPartialCharge", VALUEFUNC(_wrap_OBMolAtomIter_GetPartialCharge), -1); rb_define_method(cOBMolAtomIter.klass, "GetResidue", VALUEFUNC(_wrap_OBMolAtomIter_GetResidue), -1); + rb_define_method(cOBMolAtomIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolAtomIter_GetParent), -1); rb_define_method(cOBMolAtomIter.klass, "GetNewBondVector", VALUEFUNC(_wrap_OBMolAtomIter_GetNewBondVector), -1); rb_define_method(cOBMolAtomIter.klass, "GetBond", VALUEFUNC(_wrap_OBMolAtomIter_GetBond), -1); rb_define_method(cOBMolAtomIter.klass, "GetNextAtom", VALUEFUNC(_wrap_OBMolAtomIter_GetNextAtom), -1); @@ -73862,15 +71757,6 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomIter.klass, "HasDoubleBond", VALUEFUNC(_wrap_OBMolAtomIter_HasDoubleBond), -1); rb_define_method(cOBMolAtomIter.klass, "HasAromaticBond", VALUEFUNC(_wrap_OBMolAtomIter_HasAromaticBond), -1); rb_define_method(cOBMolAtomIter.klass, "MatchesSMARTS", VALUEFUNC(_wrap_OBMolAtomIter_MatchesSMARTS), -1); - rb_define_method(cOBMolAtomIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolAtomIter_Visit_set), -1); - rb_define_method(cOBMolAtomIter.klass, "Visit", VALUEFUNC(_wrap_OBMolAtomIter_Visit_get), -1); - rb_define_method(cOBMolAtomIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolAtomIter_GetParent), -1); - rb_define_method(cOBMolAtomIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolAtomIter_SetParent), -1); - rb_define_method(cOBMolAtomIter.klass, "AddEdge", VALUEFUNC(_wrap_OBMolAtomIter_AddEdge), -1); - rb_define_method(cOBMolAtomIter.klass, "Error", VALUEFUNC(_wrap_OBMolAtomIter_Error), -1); - rb_define_method(cOBMolAtomIter.klass, "SetMatch", VALUEFUNC(_wrap_OBMolAtomIter_SetMatch), -1); - rb_define_method(cOBMolAtomIter.klass, "Eval", VALUEFUNC(_wrap_OBMolAtomIter_Eval), -1); - rb_define_method(cOBMolAtomIter.klass, "GetMatch", VALUEFUNC(_wrap_OBMolAtomIter_GetMatch), -1); rb_define_method(cOBMolAtomIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBMolAtomIter_DoTransformations), -1); rb_define_method(cOBMolAtomIter.klass, "ClassDescription", VALUEFUNC(_wrap_OBMolAtomIter_ClassDescription), -1); rb_define_method(cOBMolAtomIter.klass, "HasData", VALUEFUNC(_wrap_OBMolAtomIter_HasData), -1); @@ -73890,6 +71776,8 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomDFSIter.klass, "initialize", VALUEFUNC(_wrap_new_OBMolAtomDFSIter), -1); rb_define_method(cOBMolAtomDFSIter.klass, "__deref__", VALUEFUNC(_wrap_OBMolAtomDFSIter___deref__), -1); rb_define_method(cOBMolAtomDFSIter.klass, "__ref__", VALUEFUNC(_wrap_OBMolAtomDFSIter___ref__), -1); + rb_define_method(cOBMolAtomDFSIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolAtomDFSIter_Visit_set), -1); + rb_define_method(cOBMolAtomDFSIter.klass, "Visit", VALUEFUNC(_wrap_OBMolAtomDFSIter_Visit_get), -1); rb_define_method(cOBMolAtomDFSIter.klass, "Clear", VALUEFUNC(_wrap_OBMolAtomDFSIter_Clear), -1); rb_define_method(cOBMolAtomDFSIter.klass, "SetIdx", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetIdx), -1); rb_define_method(cOBMolAtomDFSIter.klass, "SetHyb", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetHyb), -1); @@ -73905,6 +71793,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomDFSIter.klass, "SetVector", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetVector), -1); rb_define_method(cOBMolAtomDFSIter.klass, "SetCoordPtr", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetCoordPtr), -1); rb_define_method(cOBMolAtomDFSIter.klass, "SetResidue", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetResidue), -1); + rb_define_method(cOBMolAtomDFSIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetParent), -1); rb_define_method(cOBMolAtomDFSIter.klass, "SetAromatic", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetAromatic), -1); rb_define_method(cOBMolAtomDFSIter.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBMolAtomDFSIter_UnsetAromatic), -1); rb_define_method(cOBMolAtomDFSIter.klass, "SetClockwiseStereo", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetClockwiseStereo), -1); @@ -73940,6 +71829,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomDFSIter.klass, "GetVector", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetVector), -1); rb_define_method(cOBMolAtomDFSIter.klass, "GetPartialCharge", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetPartialCharge), -1); rb_define_method(cOBMolAtomDFSIter.klass, "GetResidue", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetResidue), -1); + rb_define_method(cOBMolAtomDFSIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetParent), -1); rb_define_method(cOBMolAtomDFSIter.klass, "GetNewBondVector", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetNewBondVector), -1); rb_define_method(cOBMolAtomDFSIter.klass, "GetBond", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetBond), -1); rb_define_method(cOBMolAtomDFSIter.klass, "GetNextAtom", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetNextAtom), -1); @@ -74013,15 +71903,6 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomDFSIter.klass, "HasDoubleBond", VALUEFUNC(_wrap_OBMolAtomDFSIter_HasDoubleBond), -1); rb_define_method(cOBMolAtomDFSIter.klass, "HasAromaticBond", VALUEFUNC(_wrap_OBMolAtomDFSIter_HasAromaticBond), -1); rb_define_method(cOBMolAtomDFSIter.klass, "MatchesSMARTS", VALUEFUNC(_wrap_OBMolAtomDFSIter_MatchesSMARTS), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolAtomDFSIter_Visit_set), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "Visit", VALUEFUNC(_wrap_OBMolAtomDFSIter_Visit_get), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetParent), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetParent), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "AddEdge", VALUEFUNC(_wrap_OBMolAtomDFSIter_AddEdge), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "Error", VALUEFUNC(_wrap_OBMolAtomDFSIter_Error), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "SetMatch", VALUEFUNC(_wrap_OBMolAtomDFSIter_SetMatch), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "Eval", VALUEFUNC(_wrap_OBMolAtomDFSIter_Eval), -1); - rb_define_method(cOBMolAtomDFSIter.klass, "GetMatch", VALUEFUNC(_wrap_OBMolAtomDFSIter_GetMatch), -1); rb_define_method(cOBMolAtomDFSIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBMolAtomDFSIter_DoTransformations), -1); rb_define_method(cOBMolAtomDFSIter.klass, "ClassDescription", VALUEFUNC(_wrap_OBMolAtomDFSIter_ClassDescription), -1); rb_define_method(cOBMolAtomDFSIter.klass, "HasData", VALUEFUNC(_wrap_OBMolAtomDFSIter_HasData), -1); @@ -74041,6 +71922,8 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomBFSIter.klass, "initialize", VALUEFUNC(_wrap_new_OBMolAtomBFSIter), -1); rb_define_method(cOBMolAtomBFSIter.klass, "__deref__", VALUEFUNC(_wrap_OBMolAtomBFSIter___deref__), -1); rb_define_method(cOBMolAtomBFSIter.klass, "__ref__", VALUEFUNC(_wrap_OBMolAtomBFSIter___ref__), -1); + rb_define_method(cOBMolAtomBFSIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolAtomBFSIter_Visit_set), -1); + rb_define_method(cOBMolAtomBFSIter.klass, "Visit", VALUEFUNC(_wrap_OBMolAtomBFSIter_Visit_get), -1); rb_define_method(cOBMolAtomBFSIter.klass, "Clear", VALUEFUNC(_wrap_OBMolAtomBFSIter_Clear), -1); rb_define_method(cOBMolAtomBFSIter.klass, "SetIdx", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetIdx), -1); rb_define_method(cOBMolAtomBFSIter.klass, "SetHyb", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetHyb), -1); @@ -74056,6 +71939,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomBFSIter.klass, "SetVector", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetVector), -1); rb_define_method(cOBMolAtomBFSIter.klass, "SetCoordPtr", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetCoordPtr), -1); rb_define_method(cOBMolAtomBFSIter.klass, "SetResidue", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetResidue), -1); + rb_define_method(cOBMolAtomBFSIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetParent), -1); rb_define_method(cOBMolAtomBFSIter.klass, "SetAromatic", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetAromatic), -1); rb_define_method(cOBMolAtomBFSIter.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBMolAtomBFSIter_UnsetAromatic), -1); rb_define_method(cOBMolAtomBFSIter.klass, "SetClockwiseStereo", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetClockwiseStereo), -1); @@ -74091,6 +71975,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomBFSIter.klass, "GetVector", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetVector), -1); rb_define_method(cOBMolAtomBFSIter.klass, "GetPartialCharge", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetPartialCharge), -1); rb_define_method(cOBMolAtomBFSIter.klass, "GetResidue", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetResidue), -1); + rb_define_method(cOBMolAtomBFSIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetParent), -1); rb_define_method(cOBMolAtomBFSIter.klass, "GetNewBondVector", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetNewBondVector), -1); rb_define_method(cOBMolAtomBFSIter.klass, "GetBond", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetBond), -1); rb_define_method(cOBMolAtomBFSIter.klass, "GetNextAtom", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetNextAtom), -1); @@ -74164,15 +72049,6 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolAtomBFSIter.klass, "HasDoubleBond", VALUEFUNC(_wrap_OBMolAtomBFSIter_HasDoubleBond), -1); rb_define_method(cOBMolAtomBFSIter.klass, "HasAromaticBond", VALUEFUNC(_wrap_OBMolAtomBFSIter_HasAromaticBond), -1); rb_define_method(cOBMolAtomBFSIter.klass, "MatchesSMARTS", VALUEFUNC(_wrap_OBMolAtomBFSIter_MatchesSMARTS), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolAtomBFSIter_Visit_set), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "Visit", VALUEFUNC(_wrap_OBMolAtomBFSIter_Visit_get), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetParent), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetParent), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "AddEdge", VALUEFUNC(_wrap_OBMolAtomBFSIter_AddEdge), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "Error", VALUEFUNC(_wrap_OBMolAtomBFSIter_Error), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "SetMatch", VALUEFUNC(_wrap_OBMolAtomBFSIter_SetMatch), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "Eval", VALUEFUNC(_wrap_OBMolAtomBFSIter_Eval), -1); - rb_define_method(cOBMolAtomBFSIter.klass, "GetMatch", VALUEFUNC(_wrap_OBMolAtomBFSIter_GetMatch), -1); rb_define_method(cOBMolAtomBFSIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBMolAtomBFSIter_DoTransformations), -1); rb_define_method(cOBMolAtomBFSIter.klass, "ClassDescription", VALUEFUNC(_wrap_OBMolAtomBFSIter_ClassDescription), -1); rb_define_method(cOBMolAtomBFSIter.klass, "HasData", VALUEFUNC(_wrap_OBMolAtomBFSIter_HasData), -1); @@ -74194,10 +72070,13 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolBondIter.klass, "inc", VALUEFUNC(_wrap_OBMolBondIter_inc), -1); rb_define_method(cOBMolBondIter.klass, "deref", VALUEFUNC(_wrap_OBMolBondIter_deref), -1); rb_define_method(cOBMolBondIter.klass, "__ref__", VALUEFUNC(_wrap_OBMolBondIter___ref__), -1); + rb_define_method(cOBMolBondIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolBondIter_Visit_set), -1); + rb_define_method(cOBMolBondIter.klass, "Visit", VALUEFUNC(_wrap_OBMolBondIter_Visit_get), -1); rb_define_method(cOBMolBondIter.klass, "SetIdx", VALUEFUNC(_wrap_OBMolBondIter_SetIdx), -1); rb_define_method(cOBMolBondIter.klass, "SetBO", VALUEFUNC(_wrap_OBMolBondIter_SetBO), -1); rb_define_method(cOBMolBondIter.klass, "SetBegin", VALUEFUNC(_wrap_OBMolBondIter_SetBegin), -1); rb_define_method(cOBMolBondIter.klass, "SetEnd", VALUEFUNC(_wrap_OBMolBondIter_SetEnd), -1); + rb_define_method(cOBMolBondIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolBondIter_SetParent), -1); rb_define_method(cOBMolBondIter.klass, "SetLength", VALUEFUNC(_wrap_OBMolBondIter_SetLength), -1); rb_define_method(cOBMolBondIter.klass, "Set", VALUEFUNC(_wrap_OBMolBondIter_Set), -1); rb_define_method(cOBMolBondIter.klass, "SetKSingle", VALUEFUNC(_wrap_OBMolBondIter_SetKSingle), -1); @@ -74216,6 +72095,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolBondIter.klass, "UnsetDown", VALUEFUNC(_wrap_OBMolBondIter_UnsetDown), -1); rb_define_method(cOBMolBondIter.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBMolBondIter_UnsetAromatic), -1); rb_define_method(cOBMolBondIter.klass, "UnsetKekule", VALUEFUNC(_wrap_OBMolBondIter_UnsetKekule), -1); + rb_define_method(cOBMolBondIter.klass, "GetIdx", VALUEFUNC(_wrap_OBMolBondIter_GetIdx), -1); rb_define_method(cOBMolBondIter.klass, "GetBO", VALUEFUNC(_wrap_OBMolBondIter_GetBO), -1); rb_define_method(cOBMolBondIter.klass, "GetBondOrder", VALUEFUNC(_wrap_OBMolBondIter_GetBondOrder), -1); rb_define_method(cOBMolBondIter.klass, "GetFlags", VALUEFUNC(_wrap_OBMolBondIter_GetFlags), -1); @@ -74224,6 +72104,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolBondIter.klass, "GetBeginAtom", VALUEFUNC(_wrap_OBMolBondIter_GetBeginAtom), -1); rb_define_method(cOBMolBondIter.klass, "GetEndAtom", VALUEFUNC(_wrap_OBMolBondIter_GetEndAtom), -1); rb_define_method(cOBMolBondIter.klass, "GetNbrAtom", VALUEFUNC(_wrap_OBMolBondIter_GetNbrAtom), -1); + rb_define_method(cOBMolBondIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolBondIter_GetParent), -1); rb_define_method(cOBMolBondIter.klass, "GetEquibLength", VALUEFUNC(_wrap_OBMolBondIter_GetEquibLength), -1); rb_define_method(cOBMolBondIter.klass, "GetLength", VALUEFUNC(_wrap_OBMolBondIter_GetLength), -1); rb_define_method(cOBMolBondIter.klass, "GetNbrAtomIdx", VALUEFUNC(_wrap_OBMolBondIter_GetNbrAtomIdx), -1); @@ -74247,17 +72128,6 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBMolBondIter.klass, "IsWedge", VALUEFUNC(_wrap_OBMolBondIter_IsWedge), -1); rb_define_method(cOBMolBondIter.klass, "IsHash", VALUEFUNC(_wrap_OBMolBondIter_IsHash), -1); rb_define_method(cOBMolBondIter.klass, "IsDoubleBondGeometry", VALUEFUNC(_wrap_OBMolBondIter_IsDoubleBondGeometry), -1); - rb_define_method(cOBMolBondIter.klass, "Visit=", VALUEFUNC(_wrap_OBMolBondIter_Visit_set), -1); - rb_define_method(cOBMolBondIter.klass, "Visit", VALUEFUNC(_wrap_OBMolBondIter_Visit_get), -1); - rb_define_method(cOBMolBondIter.klass, "GetParent", VALUEFUNC(_wrap_OBMolBondIter_GetParent), -1); - rb_define_method(cOBMolBondIter.klass, "SetParent", VALUEFUNC(_wrap_OBMolBondIter_SetParent), -1); - rb_define_method(cOBMolBondIter.klass, "GetIdx", VALUEFUNC(_wrap_OBMolBondIter_GetIdx), -1); - rb_define_method(cOBMolBondIter.klass, "SetBgn", VALUEFUNC(_wrap_OBMolBondIter_SetBgn), -1); - rb_define_method(cOBMolBondIter.klass, "SwapEnds", VALUEFUNC(_wrap_OBMolBondIter_SwapEnds), -1); - rb_define_method(cOBMolBondIter.klass, "GetBgn", VALUEFUNC(_wrap_OBMolBondIter_GetBgn), -1); - rb_define_method(cOBMolBondIter.klass, "GetEnd", VALUEFUNC(_wrap_OBMolBondIter_GetEnd), -1); - rb_define_method(cOBMolBondIter.klass, "Error", VALUEFUNC(_wrap_OBMolBondIter_Error), -1); - rb_define_method(cOBMolBondIter.klass, "Eval", VALUEFUNC(_wrap_OBMolBondIter_Eval), -1); rb_define_method(cOBMolBondIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBMolBondIter_DoTransformations), -1); rb_define_method(cOBMolBondIter.klass, "ClassDescription", VALUEFUNC(_wrap_OBMolBondIter_ClassDescription), -1); rb_define_method(cOBMolBondIter.klass, "HasData", VALUEFUNC(_wrap_OBMolBondIter_HasData), -1); @@ -74279,6 +72149,8 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomAtomIter.klass, "inc", VALUEFUNC(_wrap_OBAtomAtomIter_inc), -1); rb_define_method(cOBAtomAtomIter.klass, "deref", VALUEFUNC(_wrap_OBAtomAtomIter_deref), -1); rb_define_method(cOBAtomAtomIter.klass, "__ref__", VALUEFUNC(_wrap_OBAtomAtomIter___ref__), -1); + rb_define_method(cOBAtomAtomIter.klass, "Visit=", VALUEFUNC(_wrap_OBAtomAtomIter_Visit_set), -1); + rb_define_method(cOBAtomAtomIter.klass, "Visit", VALUEFUNC(_wrap_OBAtomAtomIter_Visit_get), -1); rb_define_method(cOBAtomAtomIter.klass, "Clear", VALUEFUNC(_wrap_OBAtomAtomIter_Clear), -1); rb_define_method(cOBAtomAtomIter.klass, "SetIdx", VALUEFUNC(_wrap_OBAtomAtomIter_SetIdx), -1); rb_define_method(cOBAtomAtomIter.klass, "SetHyb", VALUEFUNC(_wrap_OBAtomAtomIter_SetHyb), -1); @@ -74294,6 +72166,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomAtomIter.klass, "SetVector", VALUEFUNC(_wrap_OBAtomAtomIter_SetVector), -1); rb_define_method(cOBAtomAtomIter.klass, "SetCoordPtr", VALUEFUNC(_wrap_OBAtomAtomIter_SetCoordPtr), -1); rb_define_method(cOBAtomAtomIter.klass, "SetResidue", VALUEFUNC(_wrap_OBAtomAtomIter_SetResidue), -1); + rb_define_method(cOBAtomAtomIter.klass, "SetParent", VALUEFUNC(_wrap_OBAtomAtomIter_SetParent), -1); rb_define_method(cOBAtomAtomIter.klass, "SetAromatic", VALUEFUNC(_wrap_OBAtomAtomIter_SetAromatic), -1); rb_define_method(cOBAtomAtomIter.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBAtomAtomIter_UnsetAromatic), -1); rb_define_method(cOBAtomAtomIter.klass, "SetClockwiseStereo", VALUEFUNC(_wrap_OBAtomAtomIter_SetClockwiseStereo), -1); @@ -74329,6 +72202,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomAtomIter.klass, "GetVector", VALUEFUNC(_wrap_OBAtomAtomIter_GetVector), -1); rb_define_method(cOBAtomAtomIter.klass, "GetPartialCharge", VALUEFUNC(_wrap_OBAtomAtomIter_GetPartialCharge), -1); rb_define_method(cOBAtomAtomIter.klass, "GetResidue", VALUEFUNC(_wrap_OBAtomAtomIter_GetResidue), -1); + rb_define_method(cOBAtomAtomIter.klass, "GetParent", VALUEFUNC(_wrap_OBAtomAtomIter_GetParent), -1); rb_define_method(cOBAtomAtomIter.klass, "GetNewBondVector", VALUEFUNC(_wrap_OBAtomAtomIter_GetNewBondVector), -1); rb_define_method(cOBAtomAtomIter.klass, "GetBond", VALUEFUNC(_wrap_OBAtomAtomIter_GetBond), -1); rb_define_method(cOBAtomAtomIter.klass, "GetNextAtom", VALUEFUNC(_wrap_OBAtomAtomIter_GetNextAtom), -1); @@ -74402,15 +72276,6 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomAtomIter.klass, "HasDoubleBond", VALUEFUNC(_wrap_OBAtomAtomIter_HasDoubleBond), -1); rb_define_method(cOBAtomAtomIter.klass, "HasAromaticBond", VALUEFUNC(_wrap_OBAtomAtomIter_HasAromaticBond), -1); rb_define_method(cOBAtomAtomIter.klass, "MatchesSMARTS", VALUEFUNC(_wrap_OBAtomAtomIter_MatchesSMARTS), -1); - rb_define_method(cOBAtomAtomIter.klass, "Visit=", VALUEFUNC(_wrap_OBAtomAtomIter_Visit_set), -1); - rb_define_method(cOBAtomAtomIter.klass, "Visit", VALUEFUNC(_wrap_OBAtomAtomIter_Visit_get), -1); - rb_define_method(cOBAtomAtomIter.klass, "GetParent", VALUEFUNC(_wrap_OBAtomAtomIter_GetParent), -1); - rb_define_method(cOBAtomAtomIter.klass, "SetParent", VALUEFUNC(_wrap_OBAtomAtomIter_SetParent), -1); - rb_define_method(cOBAtomAtomIter.klass, "AddEdge", VALUEFUNC(_wrap_OBAtomAtomIter_AddEdge), -1); - rb_define_method(cOBAtomAtomIter.klass, "Error", VALUEFUNC(_wrap_OBAtomAtomIter_Error), -1); - rb_define_method(cOBAtomAtomIter.klass, "SetMatch", VALUEFUNC(_wrap_OBAtomAtomIter_SetMatch), -1); - rb_define_method(cOBAtomAtomIter.klass, "Eval", VALUEFUNC(_wrap_OBAtomAtomIter_Eval), -1); - rb_define_method(cOBAtomAtomIter.klass, "GetMatch", VALUEFUNC(_wrap_OBAtomAtomIter_GetMatch), -1); rb_define_method(cOBAtomAtomIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBAtomAtomIter_DoTransformations), -1); rb_define_method(cOBAtomAtomIter.klass, "ClassDescription", VALUEFUNC(_wrap_OBAtomAtomIter_ClassDescription), -1); rb_define_method(cOBAtomAtomIter.klass, "HasData", VALUEFUNC(_wrap_OBAtomAtomIter_HasData), -1); @@ -74432,10 +72297,13 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomBondIter.klass, "inc", VALUEFUNC(_wrap_OBAtomBondIter_inc), -1); rb_define_method(cOBAtomBondIter.klass, "deref", VALUEFUNC(_wrap_OBAtomBondIter_deref), -1); rb_define_method(cOBAtomBondIter.klass, "__ref__", VALUEFUNC(_wrap_OBAtomBondIter___ref__), -1); + rb_define_method(cOBAtomBondIter.klass, "Visit=", VALUEFUNC(_wrap_OBAtomBondIter_Visit_set), -1); + rb_define_method(cOBAtomBondIter.klass, "Visit", VALUEFUNC(_wrap_OBAtomBondIter_Visit_get), -1); rb_define_method(cOBAtomBondIter.klass, "SetIdx", VALUEFUNC(_wrap_OBAtomBondIter_SetIdx), -1); rb_define_method(cOBAtomBondIter.klass, "SetBO", VALUEFUNC(_wrap_OBAtomBondIter_SetBO), -1); rb_define_method(cOBAtomBondIter.klass, "SetBegin", VALUEFUNC(_wrap_OBAtomBondIter_SetBegin), -1); rb_define_method(cOBAtomBondIter.klass, "SetEnd", VALUEFUNC(_wrap_OBAtomBondIter_SetEnd), -1); + rb_define_method(cOBAtomBondIter.klass, "SetParent", VALUEFUNC(_wrap_OBAtomBondIter_SetParent), -1); rb_define_method(cOBAtomBondIter.klass, "SetLength", VALUEFUNC(_wrap_OBAtomBondIter_SetLength), -1); rb_define_method(cOBAtomBondIter.klass, "Set", VALUEFUNC(_wrap_OBAtomBondIter_Set), -1); rb_define_method(cOBAtomBondIter.klass, "SetKSingle", VALUEFUNC(_wrap_OBAtomBondIter_SetKSingle), -1); @@ -74454,6 +72322,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomBondIter.klass, "UnsetDown", VALUEFUNC(_wrap_OBAtomBondIter_UnsetDown), -1); rb_define_method(cOBAtomBondIter.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBAtomBondIter_UnsetAromatic), -1); rb_define_method(cOBAtomBondIter.klass, "UnsetKekule", VALUEFUNC(_wrap_OBAtomBondIter_UnsetKekule), -1); + rb_define_method(cOBAtomBondIter.klass, "GetIdx", VALUEFUNC(_wrap_OBAtomBondIter_GetIdx), -1); rb_define_method(cOBAtomBondIter.klass, "GetBO", VALUEFUNC(_wrap_OBAtomBondIter_GetBO), -1); rb_define_method(cOBAtomBondIter.klass, "GetBondOrder", VALUEFUNC(_wrap_OBAtomBondIter_GetBondOrder), -1); rb_define_method(cOBAtomBondIter.klass, "GetFlags", VALUEFUNC(_wrap_OBAtomBondIter_GetFlags), -1); @@ -74462,6 +72331,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomBondIter.klass, "GetBeginAtom", VALUEFUNC(_wrap_OBAtomBondIter_GetBeginAtom), -1); rb_define_method(cOBAtomBondIter.klass, "GetEndAtom", VALUEFUNC(_wrap_OBAtomBondIter_GetEndAtom), -1); rb_define_method(cOBAtomBondIter.klass, "GetNbrAtom", VALUEFUNC(_wrap_OBAtomBondIter_GetNbrAtom), -1); + rb_define_method(cOBAtomBondIter.klass, "GetParent", VALUEFUNC(_wrap_OBAtomBondIter_GetParent), -1); rb_define_method(cOBAtomBondIter.klass, "GetEquibLength", VALUEFUNC(_wrap_OBAtomBondIter_GetEquibLength), -1); rb_define_method(cOBAtomBondIter.klass, "GetLength", VALUEFUNC(_wrap_OBAtomBondIter_GetLength), -1); rb_define_method(cOBAtomBondIter.klass, "GetNbrAtomIdx", VALUEFUNC(_wrap_OBAtomBondIter_GetNbrAtomIdx), -1); @@ -74485,17 +72355,6 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBAtomBondIter.klass, "IsWedge", VALUEFUNC(_wrap_OBAtomBondIter_IsWedge), -1); rb_define_method(cOBAtomBondIter.klass, "IsHash", VALUEFUNC(_wrap_OBAtomBondIter_IsHash), -1); rb_define_method(cOBAtomBondIter.klass, "IsDoubleBondGeometry", VALUEFUNC(_wrap_OBAtomBondIter_IsDoubleBondGeometry), -1); - rb_define_method(cOBAtomBondIter.klass, "Visit=", VALUEFUNC(_wrap_OBAtomBondIter_Visit_set), -1); - rb_define_method(cOBAtomBondIter.klass, "Visit", VALUEFUNC(_wrap_OBAtomBondIter_Visit_get), -1); - rb_define_method(cOBAtomBondIter.klass, "GetParent", VALUEFUNC(_wrap_OBAtomBondIter_GetParent), -1); - rb_define_method(cOBAtomBondIter.klass, "SetParent", VALUEFUNC(_wrap_OBAtomBondIter_SetParent), -1); - rb_define_method(cOBAtomBondIter.klass, "GetIdx", VALUEFUNC(_wrap_OBAtomBondIter_GetIdx), -1); - rb_define_method(cOBAtomBondIter.klass, "SetBgn", VALUEFUNC(_wrap_OBAtomBondIter_SetBgn), -1); - rb_define_method(cOBAtomBondIter.klass, "SwapEnds", VALUEFUNC(_wrap_OBAtomBondIter_SwapEnds), -1); - rb_define_method(cOBAtomBondIter.klass, "GetBgn", VALUEFUNC(_wrap_OBAtomBondIter_GetBgn), -1); - rb_define_method(cOBAtomBondIter.klass, "GetEnd", VALUEFUNC(_wrap_OBAtomBondIter_GetEnd), -1); - rb_define_method(cOBAtomBondIter.klass, "Error", VALUEFUNC(_wrap_OBAtomBondIter_Error), -1); - rb_define_method(cOBAtomBondIter.klass, "Eval", VALUEFUNC(_wrap_OBAtomBondIter_Eval), -1); rb_define_method(cOBAtomBondIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBAtomBondIter_DoTransformations), -1); rb_define_method(cOBAtomBondIter.klass, "ClassDescription", VALUEFUNC(_wrap_OBAtomBondIter_ClassDescription), -1); rb_define_method(cOBAtomBondIter.klass, "HasData", VALUEFUNC(_wrap_OBAtomBondIter_HasData), -1); @@ -74545,6 +72404,8 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBResidueIter.klass, "GetResidueProperty", VALUEFUNC(_wrap_OBResidueIter_GetResidueProperty), -1); rb_define_method(cOBResidueIter.klass, "IsHetAtom", VALUEFUNC(_wrap_OBResidueIter_IsHetAtom), -1); rb_define_method(cOBResidueIter.klass, "IsResidueType", VALUEFUNC(_wrap_OBResidueIter_IsResidueType), -1); + rb_define_method(cOBResidueIter.klass, "BeginAtoms", VALUEFUNC(_wrap_OBResidueIter_BeginAtoms), -1); + rb_define_method(cOBResidueIter.klass, "EndAtoms", VALUEFUNC(_wrap_OBResidueIter_EndAtoms), -1); rb_define_method(cOBResidueIter.klass, "BeginAtom", VALUEFUNC(_wrap_OBResidueIter_BeginAtom), -1); rb_define_method(cOBResidueIter.klass, "NextAtom", VALUEFUNC(_wrap_OBResidueIter_NextAtom), -1); rb_define_method(cOBResidueIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBResidueIter_DoTransformations), -1); @@ -74568,6 +72429,8 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBResidueAtomIter.klass, "inc", VALUEFUNC(_wrap_OBResidueAtomIter_inc), -1); rb_define_method(cOBResidueAtomIter.klass, "deref", VALUEFUNC(_wrap_OBResidueAtomIter_deref), -1); rb_define_method(cOBResidueAtomIter.klass, "__ref__", VALUEFUNC(_wrap_OBResidueAtomIter___ref__), -1); + rb_define_method(cOBResidueAtomIter.klass, "Visit=", VALUEFUNC(_wrap_OBResidueAtomIter_Visit_set), -1); + rb_define_method(cOBResidueAtomIter.klass, "Visit", VALUEFUNC(_wrap_OBResidueAtomIter_Visit_get), -1); rb_define_method(cOBResidueAtomIter.klass, "Clear", VALUEFUNC(_wrap_OBResidueAtomIter_Clear), -1); rb_define_method(cOBResidueAtomIter.klass, "SetIdx", VALUEFUNC(_wrap_OBResidueAtomIter_SetIdx), -1); rb_define_method(cOBResidueAtomIter.klass, "SetHyb", VALUEFUNC(_wrap_OBResidueAtomIter_SetHyb), -1); @@ -74583,6 +72446,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBResidueAtomIter.klass, "SetVector", VALUEFUNC(_wrap_OBResidueAtomIter_SetVector), -1); rb_define_method(cOBResidueAtomIter.klass, "SetCoordPtr", VALUEFUNC(_wrap_OBResidueAtomIter_SetCoordPtr), -1); rb_define_method(cOBResidueAtomIter.klass, "SetResidue", VALUEFUNC(_wrap_OBResidueAtomIter_SetResidue), -1); + rb_define_method(cOBResidueAtomIter.klass, "SetParent", VALUEFUNC(_wrap_OBResidueAtomIter_SetParent), -1); rb_define_method(cOBResidueAtomIter.klass, "SetAromatic", VALUEFUNC(_wrap_OBResidueAtomIter_SetAromatic), -1); rb_define_method(cOBResidueAtomIter.klass, "UnsetAromatic", VALUEFUNC(_wrap_OBResidueAtomIter_UnsetAromatic), -1); rb_define_method(cOBResidueAtomIter.klass, "SetClockwiseStereo", VALUEFUNC(_wrap_OBResidueAtomIter_SetClockwiseStereo), -1); @@ -74618,6 +72482,7 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBResidueAtomIter.klass, "GetVector", VALUEFUNC(_wrap_OBResidueAtomIter_GetVector), -1); rb_define_method(cOBResidueAtomIter.klass, "GetPartialCharge", VALUEFUNC(_wrap_OBResidueAtomIter_GetPartialCharge), -1); rb_define_method(cOBResidueAtomIter.klass, "GetResidue", VALUEFUNC(_wrap_OBResidueAtomIter_GetResidue), -1); + rb_define_method(cOBResidueAtomIter.klass, "GetParent", VALUEFUNC(_wrap_OBResidueAtomIter_GetParent), -1); rb_define_method(cOBResidueAtomIter.klass, "GetNewBondVector", VALUEFUNC(_wrap_OBResidueAtomIter_GetNewBondVector), -1); rb_define_method(cOBResidueAtomIter.klass, "GetBond", VALUEFUNC(_wrap_OBResidueAtomIter_GetBond), -1); rb_define_method(cOBResidueAtomIter.klass, "GetNextAtom", VALUEFUNC(_wrap_OBResidueAtomIter_GetNextAtom), -1); @@ -74691,15 +72556,6 @@ SWIGEXPORT void Init_openbabel(void) { rb_define_method(cOBResidueAtomIter.klass, "HasDoubleBond", VALUEFUNC(_wrap_OBResidueAtomIter_HasDoubleBond), -1); rb_define_method(cOBResidueAtomIter.klass, "HasAromaticBond", VALUEFUNC(_wrap_OBResidueAtomIter_HasAromaticBond), -1); rb_define_method(cOBResidueAtomIter.klass, "MatchesSMARTS", VALUEFUNC(_wrap_OBResidueAtomIter_MatchesSMARTS), -1); - rb_define_method(cOBResidueAtomIter.klass, "Visit=", VALUEFUNC(_wrap_OBResidueAtomIter_Visit_set), -1); - rb_define_method(cOBResidueAtomIter.klass, "Visit", VALUEFUNC(_wrap_OBResidueAtomIter_Visit_get), -1); - rb_define_method(cOBResidueAtomIter.klass, "GetParent", VALUEFUNC(_wrap_OBResidueAtomIter_GetParent), -1); - rb_define_method(cOBResidueAtomIter.klass, "SetParent", VALUEFUNC(_wrap_OBResidueAtomIter_SetParent), -1); - rb_define_method(cOBResidueAtomIter.klass, "AddEdge", VALUEFUNC(_wrap_OBResidueAtomIter_AddEdge), -1); - rb_define_method(cOBResidueAtomIter.klass, "Error", VALUEFUNC(_wrap_OBResidueAtomIter_Error), -1); - rb_define_method(cOBResidueAtomIter.klass, "SetMatch", VALUEFUNC(_wrap_OBResidueAtomIter_SetMatch), -1); - rb_define_method(cOBResidueAtomIter.klass, "Eval", VALUEFUNC(_wrap_OBResidueAtomIter_Eval), -1); - rb_define_method(cOBResidueAtomIter.klass, "GetMatch", VALUEFUNC(_wrap_OBResidueAtomIter_GetMatch), -1); rb_define_method(cOBResidueAtomIter.klass, "DoTransformations", VALUEFUNC(_wrap_OBResidueAtomIter_DoTransformations), -1); rb_define_method(cOBResidueAtomIter.klass, "ClassDescription", VALUEFUNC(_wrap_OBResidueAtomIter_ClassDescription), -1); rb_define_method(cOBResidueAtomIter.klass, "HasData", VALUEFUNC(_wrap_OBResidueAtomIter_HasData), -1); diff --git a/src/atom.h b/src/atom.h index ac0593143..28e8bbf52 100644 --- a/src/atom.h +++ b/src/atom.h @@ -40,6 +40,9 @@ namespace OpenBabel class OBBond; class OBMol; + //! OBNodeBase is declared for backwards-compatibility with 2.0 and earlier code + typedef OBAtom OBNodeBase; + //ATOM Property Macros (flags) //! Atom is in a 4-membered ring #define OB_4RING_ATOM (1<<1) @@ -69,7 +72,7 @@ namespace OpenBabel // Class OBAtom // class introduction in atom.cpp - class OBAPI OBAtom : public OBNodeBase + class OBAPI OBAtom: public OBBase { protected: char _ele; //!< atomic number (type char to minimize space -- allows for 0..255 elements) @@ -79,6 +82,10 @@ namespace OpenBabel unsigned short _isotope; //!< isotope (0 = most abundant) short _spinmultiplicity;//!< atomic spin, e.g., 2 for radical 1 or 3 for carbene + unsigned int _idx; //!< unique node index (GetIdx(), SetIdx()) + OBMol *_parent; //!< parent molecule (if any) + std::vector _vbond; //!< bonds to this atom -- assumed to be one of the endpoints + unsigned short _cidx; //!< index into coordinate array unsigned short _hyb; //!< hybridization unsigned short _flags; //!< bitwise flags (e.g. aromaticity) @@ -94,6 +101,8 @@ namespace OpenBabel bool HasFlag(int flag) { return((_flags & flag) ? true : false); } public: + //! Used internally by graph traversal algorithms + bool Visit; //! Constructor OBAtom(); @@ -135,7 +144,7 @@ namespace OpenBabel //! Set the position of this atom based on the internal pointer array (i.e. from SetCoordPtr() ) void SetVector(); void SetResidue(OBResidue *res) { _residue=res; } - // void SetParent(OBMol *ptr) { _parent=ptr; } // inherited + void SetParent(OBMol *ptr) { _parent=ptr; } void SetAromatic() { SetFlag(OB_AROMATIC_ATOM); } void UnsetAromatic() { _flags &= (~(OB_AROMATIC_ATOM)); } //! Mark atom as having SMILES clockwise stereochemistry (i.e., "@@") @@ -242,21 +251,21 @@ namespace OpenBabel else return NULL; } - //! \return the coordinates as a vector3 object + //! Return the coordinates as a vector3 object vector3 &GetVector(); - //! \return the partial charge of this atom, calculating a Gasteiger charge if needed + //! Return the partial charge of this atom, calculating a Gasteiger charge if needed double GetPartialCharge(); - //! \return the residue which contains this atom, or NULL if none exists + //! Return the residue which contains this atom, or NULL if none exists OBResidue *GetResidue(); - // (defined by base class) - //OBMol *GetParent() {return((OBMol*)_parent);} + //! Return the molecule which contains this atom, or NULL if none exists + OBMol *GetParent() {return((OBMol*)_parent);} //! Create a vector for a new bond from this atom, with length given by the supplied parameter //! \return success or failure bool GetNewBondVector(vector3 &v,double length); - //! \return the OBBond object between this atom and that supplied, + //! Return the OBBond object between this atom and that supplied, //! or NULL if the two atoms are not bonded OBBond *GetBond(OBAtom *); - //! \return a pointer to the "next" atom (by atom index) in the + //! Return a pointer to the "next" atom (by atom index) in the //! parent OBMol, or NULL if no such atom exists. //! \deprecated Use any of the other iterator methods. This //! method will be removed in the future. @@ -265,20 +274,14 @@ namespace OpenBabel //! \name Iterator methods //@{ - //! \deprecated Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead - std::vector::iterator BeginBonds() + std::vector::iterator BeginBonds() { return(_vbond.begin()); } - //! \deprecated Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead - std::vector::iterator EndBonds() + std::vector::iterator EndBonds() { return(_vbond.end()); } - //! \deprecated Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead - OBBond *BeginBond(std::vector::iterator &i); - //! \deprecated Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead - OBBond *NextBond(std::vector::iterator &i); - //! \deprecated Use FOR_NBORS_OF_ATOM and OBAtomAtomIter instead - OBAtom *BeginNbrAtom(std::vector::iterator &); - //! \deprecated Use FOR_NBORS_OF_ATOM and OBAtomAtomIter instead - OBAtom *NextNbrAtom(std::vector::iterator &); + OBBond *BeginBond(std::vector::iterator &i); + OBBond *NextBond(std::vector::iterator &i); + OBAtom *BeginNbrAtom(std::vector::iterator &); + OBAtom *NextNbrAtom(std::vector::iterator &); //@} //! \return the distance to the atom defined by OBMol::GetAtom() @@ -304,11 +307,11 @@ namespace OpenBabel } void AddBond(OBBond *bond) { - _vbond.push_back((OBEdgeBase*)bond); + _vbond.push_back(bond); } - void InsertBond(std::vector::iterator &i, OBBond *bond) + void InsertBond(std::vector::iterator &i, OBBond *bond) { - _vbond.insert(i, (OBEdgeBase*)bond); + _vbond.insert(i, bond); } bool DeleteBond(OBBond*); void ClearBond() {_vbond.clear();} @@ -448,6 +451,9 @@ namespace OpenBabel }; // class OBAtom + //! A standard iterator over a vector of atoms + typedef std::vector::iterator OBAtomIterator; + }// namespace OpenBabel #endif // OB_ATOM_H diff --git a/src/base.cpp b/src/base.cpp index b7f380fc5..2219de7d9 100644 --- a/src/base.cpp +++ b/src/base.cpp @@ -150,215 +150,9 @@ namespace OpenBabel } - /* - bool OBGraphBase::Match(OBGraphBase &g,bool singleMatch) - { - SetFinishedMatch(false); - SetSingleMatch(singleMatch); - ClearMatches(); - g.SetVisitLock(true); - g.ResetVisitFlags(); - - OBNodeBase *node; - OBNodeBase *seed = GetFirstSeed(); - vector::iterator i; - - for (node = g.Begin(i);node;node = g.Next(i)) - if (!node->Visit && seed->Eval(node)) - { - node->Visit = true; - seed->SetMatch(node); - Match(g,BgnMatch(),BgnMatch()->second.begin()); - seed->SetMatch((OBNodeBase*)NULL); - node->Visit = false; - if (SingleMatch() && FinishedMatch()) - break; - } - - g.SetVisitLock(false); - - return(FinishedMatch()); - } - - bool OBGraphBase::Match(OBGraphBase &g, - vector > >::iterator i, - vector::iterator j) - { - //bail if only one match has been requested - if (SingleMatch() && FinishedMatch()) - return(true); - - //full match completed - if (i == EndMatch() || (j == i->second.end() && (i+1) == EndMatch())) - { - SetFinishedMatch(true); - OBNodeBase *node; - vector vn; - vector::iterator i; - for (node = Begin(i);node;node = Next(i)) - vn.push_back(node->GetMatch()); - PushBack(vn); - - return(true); - } - - //handle next seed of disconnected pattern - if (j == i->second.end()) - { - i++; - OBNodeBase *node; - OBNodeBase *seed = i->first; - vector::iterator k; - for (node = g.Begin(k);node;node = g.Next(k)) - if (!node->Visit && seed->Eval(node)) - { - node->Visit = true; - seed->SetMatch(node); - Match(g,i,i->second.begin()); - seed->SetMatch((OBNodeBase*)NULL); - node->Visit = false; - if (SingleMatch() && FinishedMatch()) - break; - } - return(true); - } - - OBEdgeBase *edge = *j++; - if (edge->IsClosure()) //check to see if matched atoms are bonded - { - if (edge->GetBgn()->GetMatch()->IsConnected(edge->GetEnd()->GetMatch())) - Match(g,i,j); - } - else //bond hasn't been covered yet - { - OBNodeBase *nbr; - OBNodeBase *curr = edge->GetBgn(); - OBNodeBase *next = edge->GetEnd(); - OBNodeBase *match = curr->GetMatch(); - vector::iterator k; - - for (nbr = match->BeginNbr(k);nbr;nbr = match->NextNbr(k)) - if (!nbr->Visit && next->Eval(nbr) && edge->Eval(*k)) - { - nbr->Visit = true; - next->SetMatch(nbr); - Match(g,i,j); - next->SetMatch(NULL); - nbr->Visit = false; - } - } - - return(false); - } - */ - OBNodeBase *OBGraphBase::Begin(vector::iterator &i) - { - i = _vatom.begin(); - return((i != _vatom.end()) ? *i : NULL); - } - - OBNodeBase *OBGraphBase::Next(vector::iterator &i) - { - i++; - return((i != _vatom.end()) ? *i : NULL); - } - - OBEdgeBase *OBGraphBase::Begin(vector::iterator &i) - { - i = _vbond.begin(); - return((i != _vbond.end()) ? *i : NULL); - } - - OBEdgeBase *OBGraphBase::Next(vector::iterator &i) - { - i++; - return((i != _vbond.end()) ? *i : NULL); - } - - OBNodeBase *OBNodeBase::BeginNbr(vector::iterator &i) - { - i = _vbond.begin(); - - if (i == _vbond.end()) - return(NULL); - return((this == (*i)->GetBgn()) ? (*i)->GetEnd() : (*i)->GetBgn()); - } - - OBNodeBase *OBNodeBase::NextNbr(vector::iterator &i) - { - i++; - if (i == _vbond.end()) - return(NULL); - return((this == (*i)->GetBgn()) ? (*i)->GetEnd() : (*i)->GetBgn()); - } - - void OBNodeBase::SetParent(OBGraphBase *p) - { - _parent = p; - } - - void OBEdgeBase::SetParent(OBGraphBase *p) - { - _parent = p; - } - - bool OBNodeBase::IsConnected(OBNodeBase *nb) - { - vector::iterator i; - for (i = _vbond.begin();i != _vbond.end();i++) - if (nb == (*i)->GetBgn() || nb == (*i)->GetEnd()) - return(true); - - return(false); - } - - void OBGraphBase::ResetVisitFlags() - { - OBNodeBase *nb; - vector::iterator i; - for (nb = Begin(i);nb;nb = Next(i)) - nb->Visit = false; - - OBEdgeBase *eb; - vector::iterator j; - for (eb = Begin(j);eb;eb = Next(j)) - eb->Visit = false; - } - - bool OBGraphBase::SetVisitLock(bool v) - { - if (v && _vlock) - return(false); - _vlock = v; - return(true); - } - /*! \mainpage - \section intro Introduction and History - - It is fair to say that Open Babel is a direct result of the original Babel. - Application development is facilitated - by building software on top of libraries rich in functionality. Babel - was the first experience for Matt Stahl in designing a molecule - library. In addition to developing Babel, Pat Walters and Matt - developed `OBabel' at Vertex Pharmaceuticals, a first - attempt at developing an object oriented molecule library. - Matt later designed a new molecule class library, OELib -- designed - to be flexible, extensible, portable, and efficient. - - OELib was released under the GNU General Public License (GPL) by Matt Stahl - and Open Eye Scientific Software, Inc. to take advantage of many of - the "great minds writing chemical software." Open Babel took up where - OELib and Babel left off, starting from the existing GPL version of - OELib, and has continued to evolve and improve into a separate - high-quality chemistry class library and tool. Open Babel is now a - separate project and library and has changed considerably from the OELib days. - - Thanks to all who have helped with Babel, OBabel, OELib and Open Babel. - The list is long and growing. - - \section pointers Key Modules + \section intro Introduction and Key Modules The heart of Open Babel lies in the \link OpenBabel::OBMol OBMol\endlink, \link OpenBabel::OBAtom OBAtom\endlink, and diff --git a/src/base.h b/src/base.h index ad437bb36..448f40f94 100644 --- a/src/base.h +++ b/src/base.h @@ -33,9 +33,6 @@ namespace OpenBabel { class OBBase; - class OBNodeBase; - class OBEdgeBase; - class OBGraphBase; /** \brief Base Class @@ -113,341 +110,6 @@ namespace OpenBabel protected: std::vector _vdata; //!< Custom data - - }; - - /** \brief Node Base Class - - The base class for nodes (e.g. atoms) in a graph-theoretical representation. - */ - class OBAPI OBNodeBase : public OBBase - { - protected: - //! What is my unique node index? GetIdx(), SetIdx(int idx). - unsigned int _idx; - //! To which graph do I belong? GetParent(), SetParent(OBGraphBase*). - OBGraphBase *_parent; - /** \brief What edges or bonds do I have? \sa AddEdge(), GetValence(), - This node is assumed to be one of the edge endpoints. - */ - std::vector _vbond; - - public: - //! Used internally by graph traversal algorithms - bool Visit; - - //! Constructor - OBNodeBase() - { - Visit = false; - } - //! Destructor - virtual ~OBNodeBase() - {} - virtual unsigned int GetIdx() const - { - return(_idx); - } - //! Set my unique node number. - void SetIdx(int idx) - { - _idx = idx; - } - virtual OBGraphBase *GetParent() - { - return(_parent); - } - //! Set my parent graph. - void SetParent(OBGraphBase*); - //! Add an edge. Assumes this node is an endpoint of \a b. - void AddEdge(OBEdgeBase *b) - { - _vbond.push_back(b); - } - //! How many edges? - virtual unsigned int GetValence() const - { - return(_vbond.size()); - } - //! Iterate over my edges, returning my connected nodes. -#ifndef SWIG - OBNodeBase *BeginNbr(std::vector::iterator&); - OBNodeBase *NextNbr(std::vector::iterator&); - //! Iterate over my edges, returning the edges. - OBEdgeBase *Begin(std::vector::iterator&); - OBEdgeBase *Next(std::vector::iterator&); -#endif - //! Is \a OBNodeBase* a beginning or end of some edge of mine? - virtual bool IsConnected(OBNodeBase*); - - //! Used to signal erroneously calling some of the nonfunctional members - void Error(int f) - { - std::cerr << "atom vf called = " << f << std::endl; - } - /** \name Nonfunctional members - Nonfunctional or unused members of OpenBabel::OBNodeBase - are to be added by a derived class (e.g., OpenBabel::OBAtom) - @{ - */ - virtual int GetFormalCharge() const - { - ((OBNodeBase*)this)->Error(1); - return(0); - } - virtual unsigned int ExplicitHydrogenCount() const - { - ((OBNodeBase*)this)->Error(22); - return(0); - } - virtual unsigned int ImplicitHydrogenCount() const - { - ((OBNodeBase*)this)->Error(22); - return(0); - } - virtual unsigned int GetImplicitValence() const - { - ((OBNodeBase*)this)->Error(3); - return(0); - } - virtual unsigned int GetHvyValence() const - { - ((OBNodeBase*)this)->Error(4); - return(0); - } - virtual unsigned int KBOSum() const - { - ((OBNodeBase*)this)->Error(5); - return(0); - } - virtual unsigned int GetHyb() const - { - ((OBNodeBase*)this)->Error(6); - return(0); - } - virtual unsigned int MemberOfRingCount() const - { - ((OBNodeBase*)this)->Error(7); - return(0); - } - virtual unsigned int GetAtomicNum() const - { - ((OBNodeBase*)this)->Error(8); - return(0); - } - virtual void SetMatch(OBNodeBase*) - {} - virtual void SetAromatic() - {} - virtual bool IsInRingSize(int) const - { - ((OBNodeBase*)this)->Error(9); - return(false); - } - virtual bool IsAromatic() const - { - ((OBNodeBase*)this)->Error(10); - return(false); - } - virtual bool IsInRing() const - { - ((OBNodeBase*)this)->Error(11); - return(false); - } - virtual bool Eval(OBNodeBase*) const - { - ((OBNodeBase*)this)->Error(12); - return(false); - } - virtual OBNodeBase *GetMatch() - { - ((OBNodeBase*)this)->Error(13); - return(NULL); - } - //@} - }; - - /** \brief Edge Base Class - - The base class for edges (e.g. bonds) in a graph-theoretical representation. - */ - class OBAPI OBEdgeBase : public OBBase - { - protected: - /// What is my unique edge index? GetIdx(), SetIdx(int idx) - unsigned int _idx; - OBNodeBase *_bgn; //!< I connect one node - OBNodeBase *_end; //!< to another node - //! To which graph do I belong? GetParent(), SetParent(OBGraphBase*). - OBGraphBase *_parent; - public: - bool Visit; - - //! Constructor - OBEdgeBase() - { - Visit = false; - _bgn = _end = NULL; - } - //! Constructor (populate from two OBNodeBase objects) - OBEdgeBase(OBNodeBase* /*bgn*/,OBNodeBase* /*end*/) - {} - //! Destructor - virtual ~OBEdgeBase() - {} - - virtual OBGraphBase* GetParent() - { - return(_parent); - } - void SetParent(OBGraphBase*); - unsigned int GetIdx() - { - return(_idx); - } - void SetIdx(int idx) - { - _idx = idx; - } - void SetBgn(OBNodeBase *n) - { - _bgn = n; - } - void SetEnd(OBNodeBase *n) - { - _end = n; - } - void SwapEnds() - { - std::swap(_bgn,_end); - } - OBNodeBase *GetBgn() - { - return(_bgn); - } - OBNodeBase *GetEnd() - { - return(_end); - } - - void Error(int f) - { - std::cerr << "bond vf err = " << f << std::endl; - } - /** \name Nonfunctional members - Nonfunctional or unused members of OpenBabel::OBEdgeBase - are to be added by a derived class (e.g., OpenBabel::OBBond) - @{ - */ - virtual void SetClosure() - {} - virtual bool IsAromatic() const - { - ((OBEdgeBase*)this)->Error(1); - return(false); - } - virtual bool IsInRing() const - { - ((OBEdgeBase*)this)->Error(2); - return(false); - } - virtual bool IsClosure() - { - ((OBEdgeBase*)this)->Error(3); - return(false); - } - virtual bool Eval(OBEdgeBase*) - { - ((OBEdgeBase*)this)->Error(4); - return(false); - } - virtual unsigned int GetBO() const - { - ((OBEdgeBase*)this)->Error(5); - return(0); - } - //@} - }; - - /*! \brief Graph Base Class - - The base class for graphs (e.g. rings, molecules, etc.) in a - graph-theoretical representation. - */ - class OBAPI OBGraphBase : public OBBase - { - protected: - bool _vlock; - std::vector _vatom; - std::vector _vbond; - public: - OBGraphBase() - { - _vlock = false; - _vatom.clear(); - _vbond.clear(); - } - OBGraphBase(const OBGraphBase& /*src*/) : OBBase() { } - virtual ~OBGraphBase() { } - unsigned int NumNodes() - { - return(_vatom.empty() ? 0 : _vatom.size()); - } - unsigned int NumEdges() - { - return(_vbond.empty() ? 0 : _vbond.size()); - } - void ResetVisitFlags(); - bool SetVisitLock(bool); - bool GetVisitLock() - { - return(_vlock); - } -#ifndef SWIG - OBNodeBase *Begin(std::vector::iterator&); - OBNodeBase *Next(std::vector::iterator&); - OBEdgeBase *Begin(std::vector::iterator&); - OBEdgeBase *Next(std::vector::iterator&); -#endif - - /*The following (placeholder) routines removed to avoid finding solution to - iterators being illegally returned as NULL - //substructure search functions - virtual bool SingleMatch() const - { - return(false); - } - virtual void SetSingleMatch(bool) - {} - virtual bool FinishedMatch() const - { - return(false); - } - virtual void SetFinishedMatch(bool) - {} - virtual void ClearMatches() - {} - virtual void PushBack(std::vector&) - {} - virtual void PrepForMatch() - {} - virtual std::vector > >::iterator BgnMatch() - { - return((std::vector > >::iterator) NULL); - } - virtual std::vector > >::iterator EndMatch() - { - return((std::vector > >::iterator) NULL); - } - virtual OBNodeBase *GetFirstSeed() - { - return((OBNodeBase*)NULL); - } - bool Match(OBGraphBase &,bool singleMatch=false); - bool Match(OBGraphBase &, - std::vector > >::iterator, - std::vector::iterator); - */ }; } //namespace OpenBabel diff --git a/src/bond.h b/src/bond.h index 49b748499..ec94ad5cf 100644 --- a/src/bond.h +++ b/src/bond.h @@ -35,6 +35,9 @@ namespace OpenBabel class OBAtom; + //! OBEdgeBase is declared for backwards-compatibility with 2.0 and earlier code + typedef OBBond OBEdgeBase; + //BOND Property Macros (flags) //! An aromatic bond (regardless of bond order) #define OB_AROMATIC_BOND (1<<1) @@ -58,17 +61,24 @@ namespace OpenBabel // 11-16 currently unused // class introduction in bond.cpp - class OBAPI OBBond : public OBEdgeBase + class OBAPI OBBond: public OBBase { protected: - char _order; //!< Bond order (1, 2, 3, 5=aromatic) - unsigned short int _flags; //!< Any flags for this bond + unsigned int _idx; //!< Unique edge index used by GetIdx() and SetIdx() + OBMol *_parent;//!< The molecule which contains me (if any) + OBAtom *_bgn; //!< I connect one node + OBAtom *_end; //!< to another node + + char _order; //!< Bond order (1, 2, 3, 5=aromatic) + unsigned short int _flags; //!< Any flags for this bond bool HasFlag(int flag) { return((_flags & flag) != 0); } void SetFlag(int flag) { _flags |= flag; } void UnsetFlag(int flag) { _flags &= (~(flag)); } public: + bool Visit; + //! Constructor OBBond(); //! Destructor @@ -89,7 +99,7 @@ namespace OpenBabel { _end = end; } - // void SetParent(OBMol *ptr) {_parent=ptr;} // (inherited) + void SetParent(OBMol *ptr) {_parent=ptr;} void SetLength(OBAtom*,double); void Set(int,OBAtom*,OBAtom*,int,int); void SetKSingle(); @@ -116,18 +126,19 @@ namespace OpenBabel //! \name bond data request methods //@{ - unsigned int GetBO() const { return((int)_order); } - unsigned int GetBondOrder() const { return((int)_order); } + unsigned int GetIdx() const { return(_idx); } + unsigned int GetBO() const { return(_order); } + unsigned int GetBondOrder() const { return(_order); } unsigned int GetFlags() const { return(_flags); } unsigned int GetBeginAtomIdx() const { return(_bgn->GetIdx()); } unsigned int GetEndAtomIdx() const { return(_end->GetIdx()); } - OBAtom *GetBeginAtom() { return((OBAtom*)_bgn); } - OBAtom *GetEndAtom() { return((OBAtom*)_end); } + OBAtom *GetBeginAtom() { return(_bgn); } + OBAtom *GetEndAtom() { return(_end); } OBAtom *GetNbrAtom(OBAtom *ptr) { - return((ptr != _bgn)? (OBAtom*)_bgn : (OBAtom*)_end); + return((ptr != _bgn)? _bgn : _end); } - // OBMol *GetParent() {return(_parent);} // (inherited) + OBMol *GetParent() {return(_parent);} double GetEquibLength(); double GetLength(); int GetNbrAtomIdx(OBAtom *ptr) @@ -181,6 +192,9 @@ namespace OpenBabel }; // class OBBond + //! A standard iterator over a vector of bonds + typedef std::vector::iterator OBBondIterator; + }// namespace OpenBabel #endif // OB_BOND_H diff --git a/src/mol.cpp b/src/mol.cpp index ad027edf5..199a9eb05 100644 --- a/src/mol.cpp +++ b/src/mol.cpp @@ -2858,8 +2858,7 @@ namespace OpenBabel _autoFormalCharge = true; } - OBMol::OBMol(const OBMol &mol) : - OBGraphBase() + OBMol::OBMol(const OBMol &mol) { _natoms = _nbonds = 0; _mod = 0; diff --git a/src/mol.h b/src/mol.h index a5f8f0835..097f05234 100644 --- a/src/mol.h +++ b/src/mol.h @@ -35,7 +35,7 @@ GNU General Public License for more details. #include // Currently includes many headers for 2.x backwards compatibility -// \deprecated -- this will be cleaned up in 3.0 efforts +// \deprecated -- this will be cleaned up in 3.0 efforts (improving compile time) #include "atom.h" #include "bond.h" #include "base.h" @@ -56,11 +56,9 @@ namespace OpenBabel class OBAtom; class OBBond; - class OBMol; class OBInternalCoord; // Class OBMol - //MOL Property Macros (flags) -- 32+ bits #define OB_SSSR_MOL (1<<1) #define OB_RINGFLAGS_MOL (1<<2) @@ -76,21 +74,21 @@ namespace OpenBabel #define OB_PH_CORRECTED_MOL (1<<13) #define OB_AROM_CORRECTED_MOL (1<<14) #define OB_CHAINS_MOL (1<<15) -#define OB_TCHARGE_MOL (1<<16) +#define OB_TCHARGE_MOL (1<<16) #define OB_TSPIN_MOL (1<<17) // flags 18-32 unspecified #define OB_CURRENT_CONFORMER -1 // class introduction in mol.cpp - class OBAPI OBMol : public OBGraphBase + class OBAPI OBMol: public OBBase { protected: int _flags; //!< bitfield of flags bool _autoPartialCharge; //!< Assign partial charges automatically bool _autoFormalCharge; //!< Assign formal charges automatically std::string _title; //!< Molecule title - //vector _atom; //!< not needed (inherited) - //vector _bond; //!< not needed (inherited) + std::vector _vatom; //!< vector of atoms + std::vector _vbond; //!< vector of bonds unsigned short int _dimension; //!< Dimensionality of coordinates double _energy; //!< Molecular heat of formation (if applicable) int _totalCharge; //!< Total charge on the molecule @@ -101,7 +99,6 @@ namespace OpenBabel unsigned short int _nbonds; //!< Number of bonds std::vector _residue; //!< Residue information (if applicable) std::vector _internals; //!< Internal Coordinates (if applicable) - // std::vector _vdata; //!< Custom data -- see OBGenericData class for more unsigned short int _mod; //!< Number of nested calls to BeginModify() bool HasFlag(int flag) { return((_flags & flag) ? true : false); } @@ -138,8 +135,8 @@ namespace OpenBabel virtual OBAtom *CreateAtom(void); virtual OBBond *CreateBond(void); virtual OBResidue *CreateResidue(void); - virtual void DestroyAtom(OBNodeBase*); - virtual void DestroyBond(OBEdgeBase*); + virtual void DestroyAtom(OBAtom*); + virtual void DestroyBond(OBBond*); virtual void DestroyResidue(OBResidue*); bool AddAtom(OBAtom&); bool AddBond(int,int,int,int flags=0,int insertpos=-1); @@ -288,7 +285,7 @@ namespace OpenBabel //! Clear all information from a molecule bool Clear(); //! Renumber the atoms of this molecule according to the order in the supplied vector - void RenumberAtoms(std::vector&); + void RenumberAtoms(std::vector&); //! Translate one conformer and rotate by a rotation matrix (which is returned) to the inertial frame-of-reference void ToInertialFrame(int conf, double *rmat); //! Translate all conformers to the inertial frame-of-reference @@ -404,21 +401,22 @@ namespace OpenBabel //! \name Iterator methods //@{ - //! \deprecated Use FOR_ATOMS_OF_MOL and OBMolAtomIter instead - OBAtom *BeginAtom(std::vector::iterator &i); - //! \deprecated Use FOR_ATOMS_OF_MOL and OBMolAtomIter instead - OBAtom *NextAtom(std::vector::iterator &i); - //! \deprecated Use FOR_BONDS_OF_MOL and OBMolBondIter instead - OBBond *BeginBond(std::vector::iterator &i); - //! \deprecated Use FOR_BONDS_OF_MOL and OBMolBondIter instead - OBBond *NextBond(std::vector::iterator &i); - //! \deprecated Use FOR_RESIDUES_OF_MOL and OBResidueIter instead + OBAtomIterator BeginAtoms() { return _vatom.begin(); } + OBAtomIterator EndAtoms() { return _vatom.end(); } + OBBondIterator BeginBonds() { return _vbond.begin(); } + OBBondIterator EndBonds() { return _vbond.end(); } + OBResidueIterator BeginResidues() { return _residue.begin(); } + OBResidueIterator EndResidues() { return _residue.end(); } + + OBAtom *BeginAtom(std::vector::iterator &i); + OBAtom *NextAtom(std::vector::iterator &i); + OBBond *BeginBond(std::vector::iterator &i); + OBBond *NextBond(std::vector::iterator &i); OBResidue *BeginResidue(std::vector::iterator &i) { i = _residue.begin(); return((i == _residue.end()) ? NULL:*i); } - //! \deprecated Use FOR_RESIDUES_OF_MOL and OBResidueIter instead OBResidue *NextResidue(std::vector::iterator &i) { i++; diff --git a/src/obiter.h b/src/obiter.h index 0ee685027..37e4ce957 100644 --- a/src/obiter.h +++ b/src/obiter.h @@ -38,7 +38,7 @@ namespace OpenBabel //! \brief Iterate over all atoms in an OBMol class OBAPI OBMolAtomIter { - std::vector::iterator _i; + std::vector::iterator _i; OBMol *_parent; OBAtom *_ptr; public: @@ -97,7 +97,7 @@ namespace OpenBabel //! \brief Iterate over all bonds in an OBMol class OBAPI OBMolBondIter { - std::vector::iterator _i; + std::vector::iterator _i; OBMol *_parent; OBBond *_ptr; public: @@ -116,7 +116,7 @@ namespace OpenBabel //! \brief Iterate over all neighboring atoms to an OBAtom class OBAPI OBAtomAtomIter { - std::vector::iterator _i; + std::vector::iterator _i; OBAtom *_parent; OBAtom *_ptr; public: @@ -135,7 +135,7 @@ namespace OpenBabel //! \brief Iterate over all bonds on an OBAtom class OBAPI OBAtomBondIter { - std::vector::iterator _i; + std::vector::iterator _i; OBAtom *_parent; OBBond *_ptr; public: diff --git a/src/residue.h b/src/residue.h index b67e0ea46..07058b697 100644 --- a/src/residue.h +++ b/src/residue.h @@ -35,7 +35,11 @@ obtained in part or whole from RasMol2 by Roger Sayle. namespace OpenBabel { class OBAtom; + //! A standard iterator over a vector of atoms + typedef std::vector::iterator OBAtomIterator; class OBBond; + //! A standard iterator over a vector of bonds + typedef std::vector::iterator OBBondIterator; // Class OBResidue // class introduction in residue.cpp @@ -90,9 +94,9 @@ namespace OpenBabel { bool IsHetAtom(OBAtom *atom) const; bool IsResidueType(int) const; - //! \deprecated Use FOR_ATOMS_OF_RESIDUE and OBResidueAtomIter instead + OBAtomIterator BeginAtoms() { return _atoms.begin(); } + OBAtomIterator EndAtoms() { return _atoms.end(); } OBAtom *BeginAtom(std::vector::iterator &i); - //! \deprecated Use FOR_ATOMS_OF_RESIDUE and OBResidueAtomIter instead OBAtom *NextAtom(std::vector::iterator &i); protected: // members @@ -111,6 +115,9 @@ namespace OpenBabel { // std::vector _vdata; //!< Custom data }; // OBResidue + //! A standard iterator over a vector of residues + typedef std::vector::iterator OBResidueIterator; + /////////////////////////////////////////////////////////////////////////////// // Global Definitions /////////////////////////////////////////////////////////////////////////////// diff --git a/src/ring.h b/src/ring.h index 9a638565c..be6320233 100644 --- a/src/ring.h +++ b/src/ring.h @@ -42,7 +42,7 @@ public: //! \return the OBAtom::GetIdx() index of the atom in this node int GetAtomIdx(); //! Recursively find the root of this tree, building up a vector of OBAtom nodes. - void PathToRoot(std::vector&); + void PathToRoot(std::vector&); }; // class introduction in ring.cpp diff --git a/tools/obprop.cpp b/tools/obprop.cpp index 1cb64e73e..0e1dea272 100644 --- a/tools/obprop.cpp +++ b/tools/obprop.cpp @@ -31,7 +31,7 @@ GNU General Public License for more details. using namespace std; using namespace OpenBabel; - +void some_tests(OBMol &mol); // PROTOTYPES ///////////////////////////////////////////////////////////////// int nrings(OBMol &mol); @@ -102,10 +102,10 @@ int main(int argc,char **argv) conv.Read(&mol, &ifs); if (mol.Empty()) break; - // Print the properties // The name should be enough self explaining - + some_tests(mol); + cout << "name " << mol.GetTitle() << endl; cout << "mol_weight "<< mol.GetMolWt() << endl; cout << "num_rings " << nrings(mol) << endl; @@ -127,11 +127,31 @@ int nrings(OBMol &mol) vr = mol.GetSSSR(); nr = vr.size(); - return (nr); } - +void some_tests(OBMol &mol) +{ + for ( OBResidueIterator residue = mol.BeginResidues(); + residue != mol.EndResidues(); ++residue ) + { + std::cout << "residue named: " + << (*residue)->GetName() << " has atoms\n"; + for ( OBAtomIterator atom = (*residue)->BeginAtoms(); + atom != (*residue)->EndAtoms(); ++atom ) + { + std::cout << (*atom)->GetIdx() << "\n"; + } + } + for ( OBBondIterator bond = mol.BeginBonds(); + bond != mol.EndBonds(); ++bond ) + { + std::cout << "bond: "; + std::cout << (*bond)->GetIdx() << " connects ("; + std::cout << (*bond)->GetBeginAtom()->GetIdx() << ";"; + std::cout << (*bond)->GetEndAtom()->GetIdx() << ")\n"; + } +} /* obprop man page*/ /** \page obprop print standard molecular properties