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Searched refs:needsHs (Results 1 – 6 of 6) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A Dcatch_graphmol.cpp1465 CHECK(MolOps::needsHs(*m));
1473 CHECK(MolOps::needsHs(*m));
1477 CHECK(!MolOps::needsHs(*m));
1482 CHECK(!MolOps::needsHs(*m));
1487 CHECK(!MolOps::needsHs(*m));
H A DMolOps.h999 RDKIT_GRAPHMOL_EXPORT bool needsHs(const ROMol &mol);
H A DAddHs.cpp1145 bool needsHs(const ROMol &mol) { in needsHs() function
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/UFF/
H A DBuilder.cpp702 if (MolOps::needsHs(mol)) { in constructForceField()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/DistGeomHelpers/
H A DEmbedder.cpp1119 if (MolOps::needsHs(mol)) { in EmbedMultipleConfs()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.cpp2516 if (MolOps::needsHs(mol)) { in MMFFMolProperties()