mirror of
https://github.com/openbabel/openbabel.git
synced 2026-08-02 09:29:21 -05:00
Geoffrey Hutchison
07164cb7be
language. * scripts/java/*: Initial attempt at a java interface from SWIG. Untested.
673 lines
22 KiB
Java
673 lines
22 KiB
Java
/* ----------------------------------------------------------------------------
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* This file was automatically generated by SWIG (http://www.swig.org).
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* Version 1.3.29
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*
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* Do not make changes to this file unless you know what you are doing--modify
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* the SWIG interface file instead.
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* ----------------------------------------------------------------------------- */
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public class OBMolAtomDFSIter {
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private long swigCPtr;
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protected boolean swigCMemOwn;
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protected OBMolAtomDFSIter(long cPtr, boolean cMemoryOwn) {
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swigCMemOwn = cMemoryOwn;
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swigCPtr = cPtr;
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}
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protected static long getCPtr(OBMolAtomDFSIter obj) {
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return (obj == null) ? 0 : obj.swigCPtr;
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}
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protected void finalize() {
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delete();
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}
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public void delete() {
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if(swigCPtr != 0 && swigCMemOwn) {
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swigCMemOwn = false;
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net.sourceforge.openbabelJNI.delete_OBMolAtomDFSIter(swigCPtr);
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}
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swigCPtr = 0;
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}
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public OBMolAtomDFSIter() {
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this(net.sourceforge.openbabelJNI.new_OBMolAtomDFSIter__SWIG_0(), true);
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}
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public OBMolAtomDFSIter(OBMol mol) {
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this(net.sourceforge.openbabelJNI.new_OBMolAtomDFSIter__SWIG_1(OBMol.getCPtr(mol)), true);
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}
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public OBMolAtomDFSIter(OBMolAtomDFSIter ai) {
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this(net.sourceforge.openbabelJNI.new_OBMolAtomDFSIter__SWIG_3(OBMolAtomDFSIter.getCPtr(ai)), true);
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}
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public OBAtom __deref__() {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter___deref__(swigCPtr);
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return (cPtr == 0) ? null : new OBAtom(cPtr, false);
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}
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public OBAtom __ref__() {
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return new OBAtom(net.sourceforge.openbabelJNI.OBMolAtomDFSIter___ref__(swigCPtr), false);
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}
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public void Clear() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Clear(swigCPtr);
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}
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public void SetIdx(int idx) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetIdx(swigCPtr, idx);
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}
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public void SetHyb(int hyb) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetHyb(swigCPtr, hyb);
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}
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public void SetAtomicNum(int atomicnum) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetAtomicNum(swigCPtr, atomicnum);
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}
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public void SetIsotope(long iso) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetIsotope(swigCPtr, iso);
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}
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public void SetImplicitValence(int val) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetImplicitValence(swigCPtr, val);
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}
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public void IncrementImplicitValence() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IncrementImplicitValence(swigCPtr);
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}
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public void DecrementImplicitValence() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DecrementImplicitValence(swigCPtr);
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}
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public void SetFormalCharge(int fcharge) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetFormalCharge(swigCPtr, fcharge);
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}
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public void SetSpinMultiplicity(short spin) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetSpinMultiplicity(swigCPtr, spin);
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}
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public void SetType(String type) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetType__SWIG_0(swigCPtr, type);
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}
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public void SetType(SWIGTYPE_p_std__string type) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetType__SWIG_1(swigCPtr, SWIGTYPE_p_std__string.getCPtr(type));
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}
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public void SetPartialCharge(double pcharge) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetPartialCharge(swigCPtr, pcharge);
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}
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public void SetVector(vector3 v) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_0(swigCPtr, vector3.getCPtr(v));
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}
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public void SetVector(double x, double y, double z) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_1(swigCPtr, x, y, z);
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}
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public void SetVector() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetVector__SWIG_2(swigCPtr);
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}
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public void SetCoordPtr(SWIGTYPE_p_p_double c) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetCoordPtr(swigCPtr, SWIGTYPE_p_p_double.getCPtr(c));
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}
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public void SetResidue(OBResidue res) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetResidue(swigCPtr, OBResidue.getCPtr(res));
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}
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public void SetAromatic() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetAromatic(swigCPtr);
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}
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public void UnsetAromatic() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_UnsetAromatic(swigCPtr);
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}
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public void SetClockwiseStereo() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetClockwiseStereo(swigCPtr);
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}
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public void SetAntiClockwiseStereo() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetAntiClockwiseStereo(swigCPtr);
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}
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public void SetPositiveStereo() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetPositiveStereo(swigCPtr);
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}
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public void SetNegativeStereo() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetNegativeStereo(swigCPtr);
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}
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public void UnsetStereo() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_UnsetStereo(swigCPtr);
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}
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public void SetInRing() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetInRing(swigCPtr);
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}
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public void SetChiral() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetChiral(swigCPtr);
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}
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public void ClearCoordPtr() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ClearCoordPtr(swigCPtr);
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}
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public int GetFormalCharge() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetFormalCharge(swigCPtr);
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}
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public long GetAtomicNum() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAtomicNum(swigCPtr);
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}
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public int GetIsotope() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetIsotope(swigCPtr);
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}
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public int GetSpinMultiplicity() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetSpinMultiplicity(swigCPtr);
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}
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public double GetAtomicMass() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAtomicMass(swigCPtr);
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}
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public double GetExactMass() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetExactMass(swigCPtr);
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}
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public long GetIdx() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetIdx(swigCPtr);
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}
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public long GetCoordinateIdx() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetCoordinateIdx(swigCPtr);
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}
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public long GetCIdx() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetCIdx(swigCPtr);
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}
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public long GetValence() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetValence(swigCPtr);
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}
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public long GetHyb() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetHyb(swigCPtr);
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}
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public long GetImplicitValence() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetImplicitValence(swigCPtr);
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}
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public long GetHvyValence() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetHvyValence(swigCPtr);
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}
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public long GetHeteroValence() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetHeteroValence(swigCPtr);
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}
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public String GetType() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetType(swigCPtr);
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}
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public double GetX() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetX(swigCPtr);
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}
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public double x() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_x(swigCPtr);
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}
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public double GetY() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetY(swigCPtr);
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}
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public double y() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_y(swigCPtr);
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}
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public double GetZ() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetZ(swigCPtr);
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}
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public double z() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_z(swigCPtr);
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}
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public SWIGTYPE_p_double GetCoordinate() {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetCoordinate(swigCPtr);
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return (cPtr == 0) ? null : new SWIGTYPE_p_double(cPtr, false);
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}
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public vector3 GetVector() {
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return new vector3(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetVector(swigCPtr), false);
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}
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public double GetPartialCharge() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetPartialCharge(swigCPtr);
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}
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public OBResidue GetResidue() {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetResidue(swigCPtr);
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return (cPtr == 0) ? null : new OBResidue(cPtr, false);
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}
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public boolean GetNewBondVector(vector3 v, double length) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetNewBondVector(swigCPtr, vector3.getCPtr(v), length);
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}
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public OBBond GetBond(OBAtom arg0) {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetBond(swigCPtr, OBAtom.getCPtr(arg0));
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return (cPtr == 0) ? null : new OBBond(cPtr, false);
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}
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public OBAtom GetNextAtom() {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetNextAtom(swigCPtr);
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return (cPtr == 0) ? null : new OBAtom(cPtr, false);
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}
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public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator BeginBonds() {
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return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BeginBonds(swigCPtr), true);
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}
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public SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator EndBonds() {
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return new SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_EndBonds(swigCPtr), true);
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}
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public OBBond BeginBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BeginBond(swigCPtr, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i));
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return (cPtr == 0) ? null : new OBBond(cPtr, false);
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}
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public OBBond NextBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i) {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_NextBond(swigCPtr, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i));
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return (cPtr == 0) ? null : new OBBond(cPtr, false);
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}
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public OBAtom BeginNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BeginNbrAtom(swigCPtr, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0));
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return (cPtr == 0) ? null : new OBAtom(cPtr, false);
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}
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public OBAtom NextNbrAtom(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator arg0) {
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long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_NextNbrAtom(swigCPtr, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(arg0));
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return (cPtr == 0) ? null : new OBAtom(cPtr, false);
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}
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public double GetDistance(int index) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetDistance__SWIG_0(swigCPtr, index);
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}
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public double GetDistance(OBAtom arg0) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetDistance__SWIG_1(swigCPtr, OBAtom.getCPtr(arg0));
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}
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public double GetAngle(int b, int c) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAngle__SWIG_0(swigCPtr, b, c);
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}
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public double GetAngle(OBAtom b, OBAtom c) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetAngle__SWIG_1(swigCPtr, OBAtom.getCPtr(b), OBAtom.getCPtr(c));
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}
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public void NewResidue() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_NewResidue(swigCPtr);
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}
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public void DeleteResidue() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteResidue(swigCPtr);
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}
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public void AddBond(OBBond bond) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_AddBond(swigCPtr, OBBond.getCPtr(bond));
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}
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public void InsertBond(SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator i, OBBond bond) {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_InsertBond(swigCPtr, SWIGTYPE_p_std__vectorTOpenBabel__OBEdgeBase_p_t__iterator.getCPtr(i), OBBond.getCPtr(bond));
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}
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public boolean DeleteBond(OBBond arg0) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteBond(swigCPtr, OBBond.getCPtr(arg0));
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}
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public void ClearBond() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ClearBond(swigCPtr);
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}
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public long CountFreeOxygens() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_CountFreeOxygens(swigCPtr);
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}
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public long ImplicitHydrogenCount() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ImplicitHydrogenCount(swigCPtr);
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}
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public long ExplicitHydrogenCount(boolean ExcludeIsotopes) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0(swigCPtr, ExcludeIsotopes);
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}
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public long ExplicitHydrogenCount() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1(swigCPtr);
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}
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public long MemberOfRingCount() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_MemberOfRingCount(swigCPtr);
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}
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public long MemberOfRingSize() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_MemberOfRingSize(swigCPtr);
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}
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public long CountRingBonds() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_CountRingBonds(swigCPtr);
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}
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public double SmallestBondAngle() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SmallestBondAngle(swigCPtr);
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}
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public double AverageBondAngle() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_AverageBondAngle(swigCPtr);
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}
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public long BOSum() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_BOSum(swigCPtr);
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}
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public long KBOSum() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_KBOSum(swigCPtr);
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}
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public boolean HtoMethyl() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HtoMethyl(swigCPtr);
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}
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public boolean SetHybAndGeom(int arg0) {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetHybAndGeom(swigCPtr, arg0);
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}
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public void ForceNoH() {
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net.sourceforge.openbabelJNI.OBMolAtomDFSIter_ForceNoH(swigCPtr);
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}
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public boolean HasNoHForced() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasNoHForced(swigCPtr);
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}
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public boolean HasResidue() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasResidue(swigCPtr);
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}
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public boolean IsHydrogen() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHydrogen(swigCPtr);
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}
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public boolean IsCarbon() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsCarbon(swigCPtr);
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}
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public boolean IsNitrogen() {
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return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNitrogen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsOxygen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsOxygen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsSulfur() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsSulfur(swigCPtr);
|
|
}
|
|
|
|
public boolean IsPhosphorus() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPhosphorus(swigCPtr);
|
|
}
|
|
|
|
public boolean IsAromatic() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAromatic(swigCPtr);
|
|
}
|
|
|
|
public boolean IsInRing() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsInRing(swigCPtr);
|
|
}
|
|
|
|
public boolean IsInRingSize(int arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsInRingSize(swigCPtr, arg0);
|
|
}
|
|
|
|
public boolean IsHeteroatom() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHeteroatom(swigCPtr);
|
|
}
|
|
|
|
public boolean IsNotCorH() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNotCorH(swigCPtr);
|
|
}
|
|
|
|
public boolean IsConnected(OBAtom arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsConnected(swigCPtr, OBAtom.getCPtr(arg0));
|
|
}
|
|
|
|
public boolean IsOneThree(OBAtom arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsOneThree(swigCPtr, OBAtom.getCPtr(arg0));
|
|
}
|
|
|
|
public boolean IsOneFour(OBAtom arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsOneFour(swigCPtr, OBAtom.getCPtr(arg0));
|
|
}
|
|
|
|
public boolean IsCarboxylOxygen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsCarboxylOxygen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsPhosphateOxygen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPhosphateOxygen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsSulfateOxygen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsSulfateOxygen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsNitroOxygen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNitroOxygen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsAmideNitrogen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAmideNitrogen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsPolarHydrogen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPolarHydrogen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsNonPolarHydrogen() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNonPolarHydrogen(swigCPtr);
|
|
}
|
|
|
|
public boolean IsAromaticNOxide() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAromaticNOxide(swigCPtr);
|
|
}
|
|
|
|
public boolean IsChiral() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsChiral(swigCPtr);
|
|
}
|
|
|
|
public boolean IsAxial() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAxial(swigCPtr);
|
|
}
|
|
|
|
public boolean IsClockwise() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsClockwise(swigCPtr);
|
|
}
|
|
|
|
public boolean IsAntiClockwise() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsAntiClockwise(swigCPtr);
|
|
}
|
|
|
|
public boolean IsPositiveStereo() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsPositiveStereo(swigCPtr);
|
|
}
|
|
|
|
public boolean IsNegativeStereo() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsNegativeStereo(swigCPtr);
|
|
}
|
|
|
|
public boolean HasChiralitySpecified() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasChiralitySpecified(swigCPtr);
|
|
}
|
|
|
|
public boolean HasChiralVolume() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasChiralVolume(swigCPtr);
|
|
}
|
|
|
|
public boolean IsHbondAcceptor() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHbondAcceptor(swigCPtr);
|
|
}
|
|
|
|
public boolean IsHbondDonor() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHbondDonor(swigCPtr);
|
|
}
|
|
|
|
public boolean IsHbondDonorH() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_IsHbondDonorH(swigCPtr);
|
|
}
|
|
|
|
public boolean HasAlphaBetaUnsat(boolean includePandS) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0(swigCPtr, includePandS);
|
|
}
|
|
|
|
public boolean HasAlphaBetaUnsat() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1(swigCPtr);
|
|
}
|
|
|
|
public boolean HasBondOfOrder(long arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasBondOfOrder(swigCPtr, arg0);
|
|
}
|
|
|
|
public int CountBondsOfOrder(long arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_CountBondsOfOrder(swigCPtr, arg0);
|
|
}
|
|
|
|
public boolean HasNonSingleBond() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasNonSingleBond(swigCPtr);
|
|
}
|
|
|
|
public boolean HasSingleBond() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasSingleBond(swigCPtr);
|
|
}
|
|
|
|
public boolean HasDoubleBond() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasDoubleBond(swigCPtr);
|
|
}
|
|
|
|
public boolean HasAromaticBond() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasAromaticBond(swigCPtr);
|
|
}
|
|
|
|
public boolean MatchesSMARTS(String arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_MatchesSMARTS(swigCPtr, arg0);
|
|
}
|
|
|
|
public void setVisit(boolean value) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Visit_set(swigCPtr, value);
|
|
}
|
|
|
|
public boolean getVisit() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Visit_get(swigCPtr);
|
|
}
|
|
|
|
public OBGraphBase GetParent() {
|
|
long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetParent(swigCPtr);
|
|
return (cPtr == 0) ? null : new OBGraphBase(cPtr, false);
|
|
}
|
|
|
|
public void SetParent(OBGraphBase arg0) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetParent(swigCPtr, OBGraphBase.getCPtr(arg0));
|
|
}
|
|
|
|
public void AddEdge(OBEdgeBase b) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_AddEdge(swigCPtr, OBEdgeBase.getCPtr(b));
|
|
}
|
|
|
|
public void Error(int f) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Error(swigCPtr, f);
|
|
}
|
|
|
|
public void SetMatch(OBNodeBase arg0) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetMatch(swigCPtr, OBNodeBase.getCPtr(arg0));
|
|
}
|
|
|
|
public boolean Eval(OBNodeBase arg0) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_Eval(swigCPtr, OBNodeBase.getCPtr(arg0));
|
|
}
|
|
|
|
public OBNodeBase GetMatch() {
|
|
long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetMatch(swigCPtr);
|
|
return (cPtr == 0) ? null : new OBNodeBase(cPtr, false);
|
|
}
|
|
|
|
public OBBase DoTransformations(SWIGTYPE_p_std__mapTstd__string_std__string_t arg0) {
|
|
long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DoTransformations(swigCPtr, 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);
|
|
}
|
|
|
|
public boolean HasData(long type) {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_HasData__SWIG_2(swigCPtr, type);
|
|
}
|
|
|
|
public void DeleteData(long type) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_0(swigCPtr, type);
|
|
}
|
|
|
|
public void DeleteData(OBGenericData arg0) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_1(swigCPtr, OBGenericData.getCPtr(arg0));
|
|
}
|
|
|
|
public void DeleteData(vectorData arg0) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DeleteData__SWIG_2(swigCPtr, vectorData.getCPtr(arg0));
|
|
}
|
|
|
|
public void SetData(OBGenericData d) {
|
|
net.sourceforge.openbabelJNI.OBMolAtomDFSIter_SetData(swigCPtr, OBGenericData.getCPtr(d));
|
|
}
|
|
|
|
public long DataSize() {
|
|
return net.sourceforge.openbabelJNI.OBMolAtomDFSIter_DataSize(swigCPtr);
|
|
}
|
|
|
|
public OBGenericData GetData(long type) {
|
|
long cPtr = net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetData__SWIG_0(swigCPtr, type);
|
|
return (cPtr == 0) ? null : new OBGenericData(cPtr, false);
|
|
}
|
|
|
|
public vectorData GetData() {
|
|
return new vectorData(net.sourceforge.openbabelJNI.OBMolAtomDFSIter_GetData__SWIG_3(swigCPtr), 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), 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), true);
|
|
}
|
|
|
|
}
|