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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.cpp1249 bool isNCNplus = false; in setMMFFHeavyAtomType() local
1370 isNCNplus = true; in setMMFFHeavyAtomType()
1444 if (isNCNplus) { in setMMFFHeavyAtomType()