Python Ion.from_dict Examples

Example #1

File: test_ion.py Project: CompRhys/pymatgen

 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!",
     )

Example #2

File: pourbaix_diagram.py Project: squiton/pymatgen

 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")
     )

Example #3

File: test_ion.py Project: zhuruijie16/pymatgen

 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'])

Example #4

File: test_ion.py Project: ATNDiaye/pymatgen

 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'])

Example #5

File: test_ion.py Project: CompRhys/pymatgen

 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"])

Example #6

File: entry.py Project: young0628/pymatgen

 def from_dict(cls, d):
     """
     Returns an IonEntry object from a dict.
     """
     return IonEntry(Ion.from_dict(d["composition"]), d["energy"])

Example #7

File: test_ion.py Project: ATNDiaye/pymatgen

 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!")

Example #8

File: pourbaix_diagram.py Project: ExpHP/pymatgen

 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))