Searched defs:dist3D (Results 1 – 7 of 7) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
| H A D | AUTOCORR3D.cpp | 78 void get3DautocorrelationDesc(double* dist3D, double* topologicaldistance, in get3DautocorrelationDesc()
186 void get3DautocorrelationDescCustom(double* dist3D, double* topologicaldistance, in get3DautocorrelationDescCustom()
221 void Get3Dauto(double* dist3D, double* topologicaldistance, int numAtoms, in Get3Dauto()
227 void Get3Dautoone(double* dist3D, double* topologicaldistance, int numAtoms, in Get3Dautoone()
243 double* dist3D = in AUTOCORR3D() local
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| H A D | EEM.cpp | 124 std::unique_ptr<double[]> getEEMMatrix(double *dist3D, unsigned int n, in getEEMMatrix()
203 void calculate_charges(ROMol mol, double *dist3D, unsigned int numAtoms, in calculate_charges()
224 double *dist3D = MolOps::get3DDistanceMat(mol, confId, false, true); in getEEMs() local
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| H A D | MORSE.cpp | 157 void GetMORSE(double *dist3D, const ROMol &mol, const Conformer &conf, in GetMORSE()
162 void GetMORSEone(double *dist3D, const ROMol &mol, const Conformer &conf, in GetMORSEone()
205 double *dist3D = in MORSE() local
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| H A D | RDF.cpp | 149 void GetRDF(double* dist3D, const ROMol& mol, const Conformer& conf, in GetRDF()
154 void GetRDFone(double* dist3D, const ROMol& mol, const Conformer& conf, in GetRDFone()
199 double* dist3D = in RDF() local
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| H A D | GETAWAY.cpp | 1166 void GetGETAWAYone(double* dist3D, double* AdjMat, std::vector<double> Vpoints, in GetGETAWAYone()
1195 void GetGETAWAY(double* dist3D, double* AdjMat, std::vector<double> Vpoints, in GetGETAWAY()
1246 double* dist3D = MolOps::get3DDistanceMat(mol, confId); in GETAWAY() local
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| /dports/games/scummvm/scummvm-2.5.1/engines/trecision/ |
| H A D | utils.cpp | 250 float TrecisionEngine::dist3D(float x1, float y1, float z1, float x2, float y2, float z2) { in dist3D() function in Trecision::TrecisionEngine
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| /dports/science/openbabel/openbabel-3.1.1/src/formats/libinchi/ |
| H A D | strutil.c | 2731 double dist3D( inp_ATOM *at1, inp_ATOM *at2 ) in dist3D() function
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