void AliasData::DeleteExpandedAtoms(OBMol& mol) { //The atom that carries the AliasData object remains as an Xx atom with no charge; //the others are deleted. All the attached hydrogens are also deleted. for(unsigned i=0;i<_expandedatoms.size();++i) { OBAtom* at = mol.GetAtomById(_expandedatoms[i]); if(!at) continue; mol.DeleteHydrogens(at); if(at->HasData(AliasDataType)) { at->SetAtomicNum(0); at->SetFormalCharge(0); at->SetSpinMultiplicity(0); } else mol.DeleteAtom(at); } _expandedatoms.clear(); }