def trappeua_O_est(atom): for neighbor in atom.bond_partners: if check_atom(neighbor, 'C2_est'): return True return False
def opls_279(atom): """AA H-alpha in aldehyde & formamide """ return check_atom(atom.bond_partners[0], [232, 277])
def opls_1007(atom): """Silica surface hydroxyl oxygen """ for neighbor in atom.bond_partners: if check_atom(neighbor, [1002,1003,1009,1010,1012]): return True
def opls_144(atom): """alkene H (H-C=) """ # Make sure that the carbon is an alkene carbon. rule_ids = [141, 142, 143] return check_atom(atom.bond_partners[0], rule_ids)
def opls_185(atom): """H(COR): alpha H ether """ rule_ids = [181, 182, 183] return check_atom(atom.bond_partners[0], rule_ids)
def opls_279(atom): """AA H-alpha in aldehyde & formamide """ # TODO: 232 needs to blacklist 277 return check_atom(atom.neighbors[0], [232, 277])
def opls_185(atom): """H(COR): alpha H ether """ rule_ids = [181, 182, 183, 184] return check_atom(atom.neighbors[0], rule_ids)
def opls_144(atom): """alkene H (H-C=) """ # Make sure that the carbon is an alkene carbon. rule_ids = [141, 142, 143] return check_atom(atom.neighbors[0], rule_ids)
def opls_279(atom): """AA H-alpha in aldehyde & formamide """ # TODO: 232 needs to blacklist 277 return check_atom(atom.neighbors[0], [232, 277])
def opls_185(atom): """H(COR): alpha H ether """ rule_ids = [181, 182, 183, 184] return check_atom(atom.neighbors[0], rule_ids)