Python IonEntry.as_dict Examples

Example #1

class IonEntryTest(unittest.TestCase):
    """
    Test IonEntry using fictitious entry
    """
    def setUp(self):
        ion = Ion.from_formula("MnO4[-]")
        self.entry = IonEntry(ion, 49)

    def test_get_energy(self):
        self.assertEqual(self.entry.energy, 49, "Wrong energy!")

    def test_get_name(self):
        self.assertEqual(self.entry.name, 'MnO4[-]', "Wrong name!")

    def test_get_composition(self):
        comp = self.entry.composition
        expected_comp = Ion.from_formula('MnO4[-]')
        self.assertEqual(comp, expected_comp, "Wrong composition!")

    def test_to_from_dict(self):
        d = self.entry.as_dict()
        entry = IonEntry.from_dict(d)

        self.assertEqual(entry.name, 'MnO4[-]', "Wrong name!")
        self.assertEqual(entry.energy_per_atom, 49.0 / 5)

Example #2

File: test_entry.py Project: Lightslayer/pymatgen

class IonEntryTest(unittest.TestCase):
    """
    Test IonEntry using fictitious entry
    """
    def setUp(self):
        ion = Ion.from_formula("MnO4[-]")
        self.entry = IonEntry(ion, 49)

    def test_get_energy(self):
        self.assertEqual(self.entry.energy, 49, "Wrong energy!")

    def test_get_name(self):
        self.assertEqual(self.entry.name, 'MnO4[-]', "Wrong name!")

    def test_get_composition(self):
        comp = self.entry.composition
        expected_comp = Ion.from_formula('MnO4[-]')
        self.assertEqual(comp, expected_comp, "Wrong composition!")

    def test_to_from_dict(self):
        d = self.entry.as_dict()
        entry = IonEntry.from_dict(d)

        self.assertEqual(entry.name, 'MnO4[-]', "Wrong name!")
        self.assertEqual(entry.energy_per_atom, 49.0 / 5)