Searched refs:Heavylist (Results 1 – 1 of 1) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
| H A D | GETAWAY.cpp | 378 std::vector<int> Heavylist, const ROMol& mol, in getGETAWAYDescCustom() argument
388 if (Heavylist[i] == 1) { in getGETAWAYDescCustom()
602 std::vector<int> Heavylist, const ROMol& mol, in getGETAWAYDesc() argument
611 if (Heavylist[i] == 1) { in getGETAWAYDesc()
1168 std::vector<int> Heavylist, std::vector<double>& res, in GetGETAWAYone() argument
1191 getGETAWAYDescCustom(H, R, ADJ, numAtoms, std::move(Heavylist), mol, res, in GetGETAWAYone()
1197 std::vector<int> Heavylist, std::vector<double>& res, in GetGETAWAY() argument
1220 getGETAWAYDesc(H, R, ADJ, numAtoms, std::move(Heavylist), mol, res, in GetGETAWAY()
1242 std::vector<int> Heavylist = GetHeavyList(mol); in GETAWAY() local
1255 GetGETAWAYone(dist3D, AdjMat, Vpoints, mol, conf, Heavylist, res, precision, in GETAWAY()
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