def cmpatoms(mol1, mol2):
if len(mol1) != len(mol2):
print 'Atom numbers is not equal: %i vs %i' % (len(mol1),
len(mol2))
return False
result = True
for idx in range(len(mol1)):
atom1 = mol1.atoms[idx]
atom2 = mol2.atoms[idx]
if atom1.no != atom2.no:
print 'the %i atom is different: %s vs %s' % (idx+1,
atom.atomchr(atom1.no), atom.atomchr(atom2.no))
result = False
elif atom1.type != atom2.type:
print 'the %i atom\'s type is different: %i vs %i' % (idx+1,
atom1.type, atom2.type)
result = False
return result
