def test_atoms(self):
for d in self.good_data:
m = Molecule(d[1])
for (symbol, count) in d[3]:
self.assertEqual(count,
m.atoms(symbol),
msg="atom {} in {}".format(symbol, m))
def test_atomserror(self):
m = Molecule('Be3Al2(SiO3)6')
with self.assertRaises(KeyError):
m.atoms('Ck')
def test_atomsbad(self):
m = Molecule('Be3Al2(SiO3)6')
self.assertEqual(0, m.atoms('Ca'))
