def test_geometries_match(self):
"""Test geometry matching function."""
sa = SiteAnalyzer(self.tin_dioxide, use_symmetry_equivalent_sites=False)
geom_a = sa.get_site_geometry(0)
geom_b = sa.get_site_geometry(1)
geom_c = sa.get_site_geometry(4)
self.assertTrue(geometries_match(geom_a, geom_b))
self.assertFalse(geometries_match(geom_a, geom_c))
def test_get_site_geometry(self):
"""Test site geometry description."""
sa = SiteAnalyzer(self.tin_dioxide)
geom_data = sa.get_site_geometry(0)
self.assertEqual(geom_data['type'], "octahedral")
self.assertAlmostEqual(geom_data['likeness'], 0.9349776258427136)
geom_data = sa.get_site_geometry(4)
self.assertEqual(geom_data['type'], "trigonal planar")
self.assertAlmostEqual(geom_data['likeness'], 0.6050243049545359)
# check different structure
sa = SiteAnalyzer(self.ba_n)
geom_data = sa.get_site_geometry(0)
self.assertEqual(geom_data['type'], "6-coordinate")
self.assertAlmostEqual(geom_data['likeness'], 1)