/* ---------------------------------------------------------------------------- * This file was automatically generated by SWIG (http://www.swig.org). * Version 1.3.31 * * 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 OBPairData toPairData(OBGenericData data) { long cPtr = openbabelJNI.toPairData(OBGenericData.getCPtr(data), data); return (cPtr == 0) ? null : new OBPairData(cPtr, false); } public static OBUnitCell toUnitCell(OBGenericData data) { long cPtr = openbabelJNI.toUnitCell(OBGenericData.getCPtr(data), data); return (cPtr == 0) ? null : new OBUnitCell(cPtr, false); } public static String OpenDatafile(SWIGTYPE_p_std__ifstream fs, String filename, String envvar) { return openbabelJNI.OpenDatafile__SWIG_0(SWIGTYPE_p_std__ifstream.getCPtr(fs), filename, envvar); } public static String OpenDatafile(SWIGTYPE_p_std__ifstream fs, String filename) { return openbabelJNI.OpenDatafile__SWIG_1(SWIGTYPE_p_std__ifstream.getCPtr(fs), filename); } public static double dot(vector3 v1, vector3 v2) { return openbabelJNI.dot(vector3.getCPtr(v1), v1, vector3.getCPtr(v2), v2); } public static vector3 cross(vector3 arg0, vector3 arg1) { return new vector3(openbabelJNI.cross(vector3.getCPtr(arg0), arg0, vector3.getCPtr(arg1), arg1), true); } public static double vectorAngle(vector3 v1, vector3 v2) { return openbabelJNI.vectorAngle(vector3.getCPtr(v1), v1, vector3.getCPtr(v2), v2); } public static double CalcTorsionAngle(vector3 a, vector3 b, vector3 c, vector3 d) { return openbabelJNI.CalcTorsionAngle(vector3.getCPtr(a), a, vector3.getCPtr(b), b, vector3.getCPtr(c), c, vector3.getCPtr(d), d); } 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 double Point2PlaneAngle(vector3 a, vector3 b, vector3 c, vector3 d) { return openbabelJNI.Point2PlaneAngle(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 boolean tokenize(vectorString arg0, String buf, String delimstr) { return openbabelJNI.tokenize__SWIG_0(vectorString.getCPtr(arg0), arg0, buf, delimstr); } public static boolean tokenize(vectorString arg0, String buf) { return openbabelJNI.tokenize__SWIG_1(vectorString.getCPtr(arg0), arg0, buf); } public static boolean tokenize(vectorString arg0, SWIGTYPE_p_std__string arg1, String delimstr, int limit) { return openbabelJNI.tokenize__SWIG_2(vectorString.getCPtr(arg0), arg0, SWIGTYPE_p_std__string.getCPtr(arg1), delimstr, limit); } public static boolean tokenize(vectorString arg0, SWIGTYPE_p_std__string arg1, String delimstr) { return openbabelJNI.tokenize__SWIG_3(vectorString.getCPtr(arg0), arg0, SWIGTYPE_p_std__string.getCPtr(arg1), delimstr); } public static boolean tokenize(vectorString arg0, SWIGTYPE_p_std__string arg1) { return openbabelJNI.tokenize__SWIG_4(vectorString.getCPtr(arg0), arg0, SWIGTYPE_p_std__string.getCPtr(arg1)); } public static double Tanimoto(OBBitVec arg0, OBBitVec arg1) { return openbabelJNI.Tanimoto(OBBitVec.getCPtr(arg0), arg0, OBBitVec.getCPtr(arg1), arg1); } 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 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 void ThrowError(String str) { openbabelJNI.ThrowError__SWIG_0(str); } 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)); } }