Skip to content

Commit be7593d

Browse files
remove obsolete test
1 parent 833f683 commit be7593d

File tree

1 file changed

+0
-14
lines changed

1 file changed

+0
-14
lines changed

openfe/tests/setup/atom_mapping/test_lomap_atommapper.py

Lines changed: 0 additions & 14 deletions
Original file line numberDiff line numberDiff line change
@@ -86,20 +86,6 @@ def test_simple_no_element_changes(atom_mapping_basic_test_files):
8686
assert isinstance(mapping, openfe.setup.atom_mapping.LigandAtomMapping)
8787
# maps (CH3) off methyl and (6C + 5H) on ring
8888
assert len(mapping.componentA_to_componentB) == 15
89-
90-
def test_simple_no_element_changes_err(atom_mapping_basic_test_files):
91-
rdmol1 = Chem.MolFromSmiles("NO")
92-
rdmol2 = Chem.MolFromSmiles("CC")
93-
94-
Chem.rdDistGeom.EmbedMolecule(rdmol1)
95-
Chem.rdDistGeom.EmbedMolecule(rdmol2)
96-
97-
mapper = LomapAtomMapper()
98-
mapper._no_element_changes = True
99-
mapping_gen = mapper.suggest_mappings(SmallMoleculeComponent(rdmol1), SmallMoleculeComponent(rdmol2))
100-
101-
with pytest.raises(ValueError, match="Could not map ligands - Element Changes are not allowed currently."):
102-
mapping = next(mapping_gen)
10389

10490

10591
def test_bas_mapping_no_element_changes(atom_mapping_basic_test_files):

0 commit comments

Comments
 (0)