def opls_771(atom): """propylene carbonate O """ if dioxolane13(atom.bond_partners[0]): for neighbors_neighbor in atom.bond_partners[0].bond_partners: if neighbors_neighbor.name != 'O': return False else: return True return False
def opls_771(atom): """propylene carbonate O """ if dioxolane13(atom.neighbors[0]): for neighbors_neighbor in atom.neighbors[0].neighbors: if neighbors_neighbor.name != 'O': return False else: return True return False
def opls_774(atom): """propylene carbonate C in CH2 """ return dioxolane13(atom)
def opls_773(atom): """propylene carbonate OS """ return dioxolane13(atom)
def opls_772(atom): """propylene carbonate C=O """ return dioxolane13(atom)