Searched refs:GetGeodesicMatrix (Results 1 – 2 of 2) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
| H A D | AUTOCORR3D.cpp | 60 double* GetGeodesicMatrix(double* dist, int lag, int numAtoms) { in GetGeodesicMatrix() function
114 double* Bimat = GetGeodesicMatrix(topologicaldistance, i + 1, numAtoms); in get3DautocorrelationDesc()
203 double* Bimat = GetGeodesicMatrix(topologicaldistance, i + 1, numAtoms); in get3DautocorrelationDescCustom()
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| H A D | GETAWAY.cpp | 260 std::vector<double> GetGeodesicMatrix(const double* dist, int lag, in GetGeodesicMatrix() function
484 auto Bimat = GetGeodesicMatrix(dist, i, numAtoms); in getGETAWAYDescCustom()
789 auto Bimat = GetGeodesicMatrix(dist, i, numAtoms); in getGETAWAYDesc()
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