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Skip the unit test for failure inchi translation
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The error was due to an bug of RDKit, returning an InChI with less atoms for CH2NN. This bug has been fixed in the newer version of RDKit. Temporarily skip this test until we find a new problematic example.
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xiaoruiDong authored and JacksonBurns committed Mar 6, 2024
1 parent 1ec9eba commit 1b90390
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion test/rmgpy/molecule/translatorTest.py
Original file line number Diff line number Diff line change
Expand Up @@ -57,7 +57,8 @@ def test_empty_molecule(self):
assert mol.to_smiles() == ""
assert mol.to_inchi() == ""

@patch("rmgpy.molecule.translator.logging")
@pytest.mark.skip(reason='This unit test checks for a bug which has been '
'patched in version of RDKit >= 2022.9.1.')
def test_failure_message(self, mock_logging):
"""Test that we log the molecule adjlist upon failure."""
mol = Molecule(smiles="[CH2-][N+]#N")
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