class SubstitutorTest(unittest.TestCase): def setUp(self): self.s = Substitutor(threshold=1e-3, lambda_table=get_table(), alpha=-5.) def test_substitutor(self): s_list = [Specie('O', -2), Specie('Li', 1)] subs = self.s.pred_from_list(s_list) self.assertEqual(len(subs), 4, 'incorrect number of substitutions') c = Composition({'O2-': 1, 'Li1+': 2}) subs = self.s.pred_from_comp(c) self.assertEqual(len(subs), 4, 'incorrect number of substitutions') def test_to_dict(self): Substitutor.from_dict(self.s.to_dict)
class SubstitutorTest(unittest.TestCase): def setUp(self): self.s = Substitutor(threshold=1e-3, lambda_table=get_table(), alpha= -5.) def test_substitutor(self): s_list = [Specie('O', -2), Specie('Li', 1)] subs = self.s.pred_from_list(s_list) self.assertEqual(len(subs), 4 , 'incorrect number of substitutions') c = Composition({'O2-': 1, 'Li1+': 2}) subs = self.s.pred_from_comp(c) self.assertEqual(len(subs), 4 , 'incorrect number of substitutions') def test_as_dict(self): Substitutor.from_dict(self.s.as_dict())