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Searched refs:resGraph (Results 1 – 3 of 3) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Basement/FeatTrees/
H A DFeatTree.cpp26 FeatTreeGraphSPtr resGraph(new FeatTreeGraph()); in molToBaseTree() local
34 addRingsAndConnectors(mol, *resGraph); in molToBaseTree()
40 replaceCycles(*resGraph); in molToBaseTree()
49 addRingRingBonds(mol, *resGraph); in molToBaseTree()
56 atomIndices = addNonringAtoms(mol, *resGraph); in molToBaseTree()
63 addBondsFromNonringAtoms(mol, *resGraph, atomIndices); in molToBaseTree()
70 addZeroNodes(*resGraph); in molToBaseTree()
72 return resGraph; in molToBaseTree()
H A DFeatTreeUtils.cpp125 void addRingsAndConnectors(const ROMol &mol, FeatTreeGraph &resGraph) { in addRingsAndConnectors() argument
132 boost::add_vertex(FeatTreeNode(s), resGraph); in addRingsAndConnectors()
162 void addRingRingBonds(const ROMol &mol, FeatTreeGraph &resGraph) { in addRingRingBonds() argument
163 FeatTreeNodePMap nodeMap = boost::get(FeatTreeNode_t(), resGraph); in addRingRingBonds()
166 for (boost::tie(nodeI, endNodes) = boost::vertices(resGraph); in addRingRingBonds()
173 boost::tie(tmp, found) = boost::edge(*nodeI, *nodeJ, resGraph); in addRingRingBonds()
194 FeatTreeGraph &resGraph) { in addNonringAtoms() argument
206 unsigned int idx = boost::add_vertex(FeatTreeNode(s), resGraph); in addNonringAtoms()
218 FeatTreeNodePMap nodeMap = boost::get(FeatTreeNode_t(), resGraph); in addBondsFromNonringAtoms()
234 FeatTreeEdge(0), resGraph); in addBondsFromNonringAtoms()
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/dports/math/gap/gap-4.11.0/pkg/hap-1.25/
H A Dread.g276 ReadPackageHap( "lib/GraphsOfGroups/resGraph.gi");