openbabel/java at 9517b6b0d6bc28c828d0248d29a2b5382e913920 - openbabel - Git Repository of IntenseWebs.com, IF.Finance, IWeb.City, NuKVM.org, OilfieldTools Network, Spartan International Drilling, Green Polymer Products & more

GreenPolyProducts/openbabel

mirror of https://github.com/openbabel/openbabel.git synced 2025-02-25 18:55:23 -06:00

Files

History

Geoffrey Hutchison 9517b6b0d6 Updated for recent library changes.

2007-03-15 00:02:18 +00:00

..

atomreftype.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

CharPtrLess.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

DataOrigin.java

Updates with DataSource => DataOrigin

2007-02-12 16:15:46 +00:00

FastSearch.java

Updates for recent changes.

2006-12-28 19:51:38 +00:00

FastSearchIndexer.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

FptIndex.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

FptIndexHeader.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

matrix3x3.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

OBAngle.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBAngleData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBAromaticTyper.java

Regenerated from recent plugin and force field changes.

2007-02-26 21:51:27 +00:00

OBAtom.java

Removed %apply of OUTPUT in the script interface files, and regenerated the bindings

2007-02-05 20:19:01 +00:00

OBAtomAtomIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBAtomBondIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBAtomTyper.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

OBBase.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBBitVec.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

OBBond.java

Removed %apply of OUTPUT in the script interface files, and regenerated the bindings

2007-02-05 20:19:01 +00:00

OBChainsParser.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

OBChiralData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBCommentData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBConformerData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBConversion.java

* scripts/*.i, scripts/*: Add access to OBForceField classes and methods.

2007-02-20 15:05:35 +00:00

OBElement.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBElementTable.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBError.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBExternalBond.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBExternalBondData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBFFCalculation.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBFFParameter.java

* scripts/*.i, scripts/*: Add access to OBForceField classes and methods.

2007-02-20 15:05:35 +00:00

OBFingerprint.java

* scripts/openbabel-[python,java,perl,ruby].i: Added ability to

2007-01-06 18:19:41 +00:00

OBForceField.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBFormat.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBGenericData.java

Updates with DataSource => DataOrigin

2007-02-12 16:15:46 +00:00

OBGlobalDataBase.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBIsotopeTable.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

obLogBuf.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBMessageHandler.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

obMessageLevel.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBMol.java

Regenerated from recent plugin and force field changes.

2007-02-26 21:51:27 +00:00

OBMolAngleIter.java

* scripts/*.i, scripts/*: Add access to OBForceField classes and methods.

2007-02-20 15:05:35 +00:00

OBMolAtomBFSIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBMolAtomDFSIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBMolAtomIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBMolBondIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBMolPairIter.java

* scripts/*.i, scripts/*: Add access to OBForceField classes and methods.

2007-02-20 15:05:35 +00:00

OBMolRingIter.java

* scripts/*.i, scripts/*: Add access to OBForceField classes and methods.

2007-02-20 15:05:35 +00:00

OBMolTorsionIter.java

* scripts/*.i, scripts/*: Add access to OBForceField classes and methods.

2007-02-20 15:05:35 +00:00

OBPairData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBResidue.java

Updates for recent changes.

2006-12-28 19:51:38 +00:00

OBResidueAtomIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBResidueData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBResidueIter.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBRing.java

Updates with DataSource => DataOrigin

2007-02-12 16:15:46 +00:00

OBRingData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBRingSearch.java

Updates with DataSource => DataOrigin

2007-02-12 16:15:46 +00:00

OBRTree.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBSerialNums.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBSetData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBSmartsPattern.java

Regenerated from recent plugin and force field changes.

2007-02-26 21:51:27 +00:00

OBSqrtTbl.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBSSMatch.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBStopwatch.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBSymmetryData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBTest.java

Added test program.

2007-03-13 12:21:48 +00:00

OBTorsion.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBTorsionData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBTypeTable.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBUnitCell.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

OBVibrationData.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

OBVirtualBond.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

openbabel_java.cpp

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

openbabel.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

openbabelConstants.java

Fix Java compile from previous revision.

2007-02-20 15:27:03 +00:00

openbabelJNI.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

pluginiterFingerprint.java

Regenerated from recent plugin and force field changes.

2007-02-26 21:51:27 +00:00

pluginiterForceField.java

Updated for recent library changes.

2007-03-15 00:02:18 +00:00

README

Updates for Java targets.

2006-12-15 15:36:18 +00:00

SWIGTYPE_p_a_3__double.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_a_4__char.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_char.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_double.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_int.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_OpenBabel__FMapType__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_OpenBabel__OBInternalCoord.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_OpenBabel__OBRandom.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_OpenBabel__Pattern.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_OpenBabel__quadTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_OpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_p_double.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_p_int.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__dequeTint_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__ifstream.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__istream.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__mapTint_OpenBabel__OBAtom_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__mapTstd__string_std__string_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__multimapTdouble_unsigned_int_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__ostream.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__pairTint_int_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__pairTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__streampos.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__string.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__type_info.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTdouble_p_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTdouble_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBAtom_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBBond_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBExternalBond_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBGenericData_p_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBInternalCoord_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBResidue_p_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBRing_p_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__OBTorsion_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTOpenBabel__tripleTOpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTstd__pairTint_int_t_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTstd__pairTstd__string_std__string_t_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTstd__string_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTstd__vectorTint_t_t__iterator.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTstd__vectorTOpenBabel__vector3_t_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTstd__vectorTunsigned_int_t_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_std__vectorTunsigned_short_t.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

SWIGTYPE_p_unsigned_int.java

Fixed Java (JNI) interfaces to compile cleanly. Updated other SWIG interfaces.

2006-12-14 23:17:34 +00:00

vector3.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorBond.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorData.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorDouble.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorInt.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorMol.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorResidue.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorRing.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vectorUnsignedInt.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vVector3.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

vvInt.java

* scripts/: Regenerated files based on Noel's changes today.

2006-12-13 19:43:43 +00:00

README

Open Babel for Java (JNI) 0.5
--------------------

This directory contains a set of SWIG-generated interface classes for
using the Open Babel C++ library from Java. It is currently
experimental and has not been thoroughly tested.

To compile, run the following steps:

% javac *.java
# assuming that jni.h is found in /usr/include/java
% g++ -c -fpic openbabel_java.cpp -I../../include -I/usr/include/java
# assuming that libopenbabel.so is in /usr/local/lib
% g++ -shared -lopenbabel -L/usr/local/lib openbabel_java.o libopenbabel.so 

(This README needs a bit of work... hopefully some experimentation
will automate this process and give some simple java examples.