From 1b9039098c95106f310aff65d5b70e75e03a2164 Mon Sep 17 00:00:00 2001 From: Xiaorui Dong Date: Wed, 4 Oct 2023 07:48:00 -0400 Subject: [PATCH] Skip the unit test for failure inchi translation 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. --- test/rmgpy/molecule/translatorTest.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/test/rmgpy/molecule/translatorTest.py b/test/rmgpy/molecule/translatorTest.py index b711fc3743..cb62d9dc97 100644 --- a/test/rmgpy/molecule/translatorTest.py +++ b/test/rmgpy/molecule/translatorTest.py @@ -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")