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,))
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, ))