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))
