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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/
H A DMolDescriptors.cpp23 double calcAMW(const ROMol &mol, bool onlyHeavy) { in calcAMW()
42 double calcExactMW(const ROMol &mol, bool onlyHeavy) { in calcExactMW()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/
H A DMol.cpp158 int getMolNumAtoms(const ROMol &mol, int onlyHeavy, bool onlyExplicit) { in getMolNumAtoms()