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Expand test_get_geometry_type_sandwich() test case
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ralf-meyer committed Feb 18, 2024
1 parent fee143f commit 48035f4
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion tests/test_mol3D.py
Original file line number Diff line number Diff line change
Expand Up @@ -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):
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