diff --git a/tests/test_mol3D.py b/tests/test_mol3D.py index b4ec896a..ccadabd9 100644 --- a/tests/test_mol3D.py +++ b/tests/test_mol3D.py @@ -155,7 +155,10 @@ def test_get_geometry_type_catoms_arr(resource_path_root): 'name, geometry_str, num_sandwich', [ ('BOWROX_comp_0.mol2', 'tetrahedral', 1), - # ('BOXTIU_comp_0.mol2', 'linear', 2), + ('BOXTEQ_comp_0.mol2', 'tetrahedral', 1), + ('BOXTIU_comp_0.mol2', 'tetrahedral', 1), + # ('BOZHOQ_comp_2.mol2', 'linear', 2), + # ('BOZHUW_comp_2.mol2', 'linear', 2), ] ) def test_get_geometry_type_sandwich(resource_path_root, name, geometry_str, num_sandwich):