In the equality operator for AtomType, True is returned if abs(self.charge - other.charge) > TINY. Surely this should return False?
def __eq__(self, other):
# ...
elif abs(self.charge - other.charge) > TINY:
return True
#...(from topologyobjects.py lines 5185-5186)
In the equality operator for AtomType, True is returned if
abs(self.charge - other.charge) > TINY. Surely this should return False?(from topologyobjects.py lines 5185-5186)