Beispiel #1
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 def test_to_from_dict(self):
     d = self.disordered_site.to_dict
     site = Site.from_dict(d)
     self.assertEqual(site, self.disordered_site)
     self.assertNotEqual(site, self.ordered_site)
     d = self.propertied_site.to_dict
     site = Site.from_dict(d)
     self.assertEqual(site.magmom, 5.1)
     self.assertEqual(site.charge, 4.2)
Beispiel #2
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 def test_to_from_dict(self):
     d = self.disordered_site.to_dict
     site = Site.from_dict(d)
     self.assertEqual(site, self.disordered_site)
     self.assertNotEqual(site, self.ordered_site)
     d = self.propertied_site.to_dict
     site = Site.from_dict(d)
     self.assertEqual(site.magmom, 5.1)
     self.assertEqual(site.charge, 4.2)
Beispiel #3
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 def test_to_from_dict(self):
     d = self.disordered_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site, self.disordered_site)
     self.assertNotEqual(site, self.ordered_site)
     d = self.propertied_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.magmom, 5.1)
     self.assertEqual(site.charge, 4.2)
     d = self.dummy_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.species_and_occu, self.dummy_site.species_and_occu)
Beispiel #4
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 def test_to_from_dict(self):
     d = self.disordered_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site, self.disordered_site)
     self.assertNotEqual(site, self.ordered_site)
     d = self.propertied_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.properties["magmom"], 5.1)
     self.assertEqual(site.properties["charge"], 4.2)
     d = self.dummy_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.species, self.dummy_site.species)
Beispiel #5
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 def test_to_from_dict(self):
     d = self.disordered_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site, self.disordered_site)
     self.assertNotEqual(site, self.ordered_site)
     d = self.propertied_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.properties["magmom"], 5.1)
     self.assertEqual(site.properties["charge"], 4.2)
     d = self.dummy_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.species, self.dummy_site.species)
Beispiel #6
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 def test_to_from_dict(self):
     d = self.disordered_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site, self.disordered_site)
     self.assertNotEqual(site, self.ordered_site)
     d = self.propertied_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.magmom, 5.1)
     self.assertEqual(site.charge, 4.2)
     d = self.dummy_site.as_dict()
     site = Site.from_dict(d)
     self.assertEqual(site.species_and_occu, self.dummy_site.species_and_occu)
Beispiel #7
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 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)
     site3 = PeriodicSite({"Si": 0.5, "Fe": 0.5}, [0, 0, 0], self.lattice)
     d = site3.to_dict
     site = PeriodicSite.from_dict(d)
     self.assertEqual(site.species_and_occu, site3.species_and_occu)
Beispiel #8
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 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)
     site3 = PeriodicSite({"Si": 0.5, "Fe": 0.5}, [0, 0, 0], self.lattice)
     d = site3.to_dict
     site = PeriodicSite.from_dict(d)
     self.assertEqual(site.species_and_occu, site3.species_and_occu)