diff --git a/tests/test_wyckoff.py b/tests/test_wyckoff.py index 11eb9b02..8322c05f 100644 --- a/tests/test_wyckoff.py +++ b/tests/test_wyckoff.py @@ -29,15 +29,25 @@ def test_wp_check_translation(self): def test_wp_site_symm(self): data = [ (143, 1, "3.."), + (150, 1, ".2."), + (152, 1, ".2."), + (154, 1, ".2."), + (155, 1, ".2"), (160, 1, ".m"), (160, 2, "3m"), + (164, 4, ".2/m."), + (165, 1, ".2."), + (177, 3, ".2."), + (178, 2, ".2."), + (180, 3, ".2."), + (181, 3, ".2."), (230, 6, ".32"), ] for d in data: (sg, i, symbol) = d wp = Group(sg)[i] wp.get_site_symmetry() - # print("\n========", wp.site_symm, symbol, "==========\n") + if wp.site_symm != symbol: print("\n========", wp.site_symm, d, "==========\n") assert wp.site_symm == symbol def test_wp_dof(self):