Пример #1
0
 def from_dict(cls, d):
     return cls(ComputedStructureEntry.from_dict(d['entry']),
                PeriodicSite.from_dict(d['site']),
                multiplicity=d.get('multiplicity', None),
                supercell_size=d.get('supercell_size', [1, 1, 1]),
                charge=d.get('charge', 0.0),
                charge_correction=d.get('charge_correction', 0.0),
                other_correction=d.get('other_correction', 0.0),
                name=d.get('name', None))
Пример #2
0
 def test_to_from_dict(self):
     d = self.site2.to_dict
     site = PeriodicSite.from_dict(d)
     self.assertEqual(site, self.site2)
     self.assertNotEqual(site, self.site)
     d = self.propertied_site.to_dict
     site = Site.from_dict(d)
     self.assertEqual(site.magmom, 5.1)
     self.assertEqual(site.charge, 4.2)