Example #1
0
 def test_get_site_summary(self):
     """Test getting the site summary"""
     sa = SiteAnalyzer(self.tin_dioxide)
     data = sa.get_site_summary(0)
     self.assertEqual(data["element"], "Sn4+")
     self.assertEqual(data["geometry"]["type"], "octahedral")
     self.assertAlmostEqual(data["geometry"]["likeness"], 0.9349776258427136)
     self.assertEqual(len(data["nn"]), 6)
     self.assertEqual(len(data["nnn"]["corner"]), 8)
     self.assertEqual(len(data["nnn"]["edge"]), 2)
     self.assertEqual(data["poly_formula"], "O6")
     self.assertEqual(data["sym_labels"], (1,))
Example #2
0
 def test_get_site_summary(self):
     """Test getting the site summary"""
     sa = SiteAnalyzer(self.tin_dioxide)
     data = sa.get_site_summary(0)
     self.assertEqual(data['element'], 'Sn4+')
     self.assertEqual(data['geometry']['type'], 'octahedral')
     self.assertAlmostEqual(data['geometry']['likeness'],
                            0.9349776258427136)
     self.assertEqual(len(data['nn']), 6)
     self.assertEqual(len(data['nnn']['corner']), 8)
     self.assertEqual(len(data['nnn']['edge']), 2)
     self.assertEqual(data['poly_formula'], 'O6')
     self.assertEqual(data['sym_labels'], (1, ))