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Searched defs:Vpoints (Results 1 – 2 of 2) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/
H A DWHIM.cpp220 double *Vpoints, double th) { in GetWHIMs()
279 double *Vpoints, double th, in GetWHIMsCustom()
307 auto *Vpoints = new double[3 * numAtoms]; in getWHIM() local
356 auto *Vpoints = new double[3 * numAtoms]; in getWHIMone() local
H A DGETAWAY.cpp1166 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()
1234 std::vector<double> Vpoints(3 * numAtoms); in GETAWAY() local