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lines changed Original file line number Diff line number Diff 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
10591def test_bas_mapping_no_element_changes (atom_mapping_basic_test_files ):
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