def test_from_dict(self): sym_dict = {"P": 1, "O": 4, "charge": -2} self.assertEqual( Ion.from_dict(sym_dict).reduced_formula, "PO4[-2]", "Creation form sym_amount dictionary failed!", )
def from_dict(cls, d): """ Returns an IonEntry object from a dict. """ return IonEntry( Ion.from_dict(d["ion"]), d["energy"], d.get("name"), d.get("attribute") )
def test_as_dict(self): c = Ion.from_dict({'Mn': 1, 'O': 4, 'charge': -1}) d = c.as_dict() correct_dict = {'Mn': 1.0, 'O': 4.0, 'charge': -1.0} self.assertEqual(d, correct_dict) self.assertEqual(d['charge'], correct_dict['charge']) correct_dict = {'Mn': 1.0, 'O': 4.0, 'charge': -1} d = c.to_reduced_dict self.assertEqual(d, correct_dict) self.assertEqual(d['charge'], correct_dict['charge'])
def test_as_dict(self): c = Ion.from_dict({"Mn": 1, "O": 4, "charge": -1}) d = c.as_dict() correct_dict = {"Mn": 1.0, "O": 4.0, "charge": -1.0} self.assertEqual(d, correct_dict) self.assertEqual(d["charge"], correct_dict["charge"]) correct_dict = {"Mn": 1.0, "O": 4.0, "charge": -1} d = c.to_reduced_dict self.assertEqual(d, correct_dict) self.assertEqual(d["charge"], correct_dict["charge"])
def from_dict(cls, d): """ Returns an IonEntry object from a dict. """ return IonEntry(Ion.from_dict(d["composition"]), d["energy"])
def test_from_dict(self): sym_dict = {"P": 1, "O": 4, 'charge': -2} self.assertEqual(Ion.from_dict(sym_dict).reduced_formula, "PO4[2-]", "Creation form sym_amount dictionary failed!")
def from_dict(cls, d): """ Returns an IonEntry object from a dict. """ return IonEntry(Ion.from_dict(d["ion"]), d["energy"], d.get("name", None))