def test_cluster_sites(self): o, c = cluster_sites(CH4, 0.1) self.assertEqual(o.specie.symbol, "C") self.assertEqual(len(c), 1) o, c = cluster_sites(C2H2F2Br2.get_centered_molecule(), 0.1) self.assertIsNone(o) self.assertEqual(len(c), 4)
def test_cluster_sites(self): o, c = cluster_sites(CH4, 0.1) self.assertEqual(o.specie.symbol, "C") self.assertEqual(len(c), 1) o, c = cluster_sites(C2H2F2Br2.get_centered_molecule(), 0.1) self.assertIsNone(o) self.assertEqual(len(c), 4)