class TransformedPDEntryTest(unittest.TestCase): ''' Test all functions using a ficitious entry ''' def setUp(self): comp = Composition("LiFeO2") entry = PDEntry(comp, 53) self.transformed_entry = TransformedPDEntry( { DummySpecie('Xa'): 1, DummySpecie("Xb"): 1 }, entry) def test_get_energy(self): self.assertEqual(self.transformed_entry.energy, 53, "Wrong energy!") self.assertEqual(self.transformed_entry.original_entry.energy, 53.0) def test_get_energy_per_atom(self): self.assertEqual(self.transformed_entry.energy_per_atom, 53.0 / 2) def test_get_name(self): self.assertEqual(self.transformed_entry.name, 'LiFeO2', "Wrong name!") def test_get_composition(self): comp = self.transformed_entry.composition expected_comp = Composition({ DummySpecie('Xa'): 1, DummySpecie('Xb'): 1 }) self.assertEqual(comp, expected_comp, "Wrong composition!") def test_is_element(self): self.assertFalse(self.transformed_entry.is_element) def test_to_from_dict(self): d = self.transformed_entry.as_dict() entry = TransformedPDEntry.from_dict(d) self.assertEqual(entry.name, 'LiFeO2', "Wrong name!") self.assertEqual(entry.energy_per_atom, 53.0 / 2) def test_str(self): self.assertIsNotNone(str(self.transformed_entry))
class TransformedPDEntryTest(unittest.TestCase): ''' Test all functions using a ficitious entry ''' def setUp(self): comp = Composition("LiFeO2") entry = PDEntry(comp, 53) self.transformed_entry = TransformedPDEntry({DummySpecie('Xa'): 1, DummySpecie("Xb"): 1}, entry) def test_get_energy(self): self.assertEqual(self.transformed_entry.energy, 53, "Wrong energy!") self.assertEqual(self.transformed_entry.original_entry.energy, 53.0) def test_get_energy_per_atom(self): self.assertEqual(self.transformed_entry.energy_per_atom, 53.0 / 2) def test_get_name(self): self.assertEqual(self.transformed_entry.name, 'LiFeO2', "Wrong name!") def test_get_composition(self): comp = self.transformed_entry.composition expected_comp = Composition({DummySpecie('Xa'): 1, DummySpecie('Xb'): 1}) self.assertEqual(comp, expected_comp, "Wrong composition!") def test_is_element(self): self.assertFalse(self.transformed_entry.is_element) def test_to_from_dict(self): d = self.transformed_entry.as_dict() entry = TransformedPDEntry.from_dict(d) self.assertEqual(entry.name, 'LiFeO2', "Wrong name!") self.assertEqual(entry.energy_per_atom, 53.0 / 2) def test_str(self): self.assertIsNotNone(str(self.transformed_entry))