Searched refs:isCarboxylateO (Results 1 – 2 of 2) sorted by relevance
1727 bool isCarboxylateO = false; in setMMFFHeavyAtomType() local1742 (!isCarboxylateO) && (!isNitroO) && (!isNOxideO) && in setMMFFHeavyAtomType()1781 isCarboxylateO = (nObondedToCorNorS == 2); in setMMFFHeavyAtomType()1852 if (isCarboxylateO || isNitroO || isNOxideO || isThioSulfinateO || in setMMFFHeavyAtomType()
290 bool isCarboxylateO = atom->IsCarboxylOxygen(); in GetNewBondVector() local302 if (isCarboxylateO && nbr2->GetAtomicNum() == OBElements::Oxygen) in GetNewBondVector()