Searched refs:atomTraversalBondOrder (Results 1 – 1 of 1) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ |
| H A D | Canon.cpp | 709 std::vector<INT_LIST> &atomTraversalBondOrder, in dfsBuildStack() argument
870 atomRingClosures, atomTraversalBondOrder, bondsInPlay, in dfsBuildStack()
878 atomTraversalBondOrder[atom->getIdx()] = travList; in dfsBuildStack()
888 std::vector<INT_LIST> &atomTraversalBondOrder, in canonicalDFSTraversal() argument
898 PRECONDITION(atomTraversalBondOrder.size() >= mol.getNumAtoms(), in canonicalDFSTraversal()
912 atomTraversalBondOrder, bondsInPlay, bondSymbols, doRandom); in canonicalDFSTraversal()
1077 std::vector<INT_LIST> atomTraversalBondOrder(nAtoms); in canonicalizeFragment() local
1081 atomTraversalBondOrder, bondsInPlay, bondSymbols, doRandom); in canonicalizeFragment()
1103 const INT_LIST &trueOrder = atomTraversalBondOrder[atom->getIdx()]; in canonicalizeFragment()
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