diff --git a/modules/conop/tests/test_compound.py b/modules/conop/tests/test_compound.py index 75e4f4523e6fe3694e3dd0b473a81533c15c416b..39cfee070efdc7dcb7d943dd23805db0b105ff27 100644 --- a/modules/conop/tests/test_compound.py +++ b/modules/conop/tests/test_compound.py @@ -19,7 +19,7 @@ class TestCompound(unittest.TestCase): self.assertEqual(compound.formula, 'C3 H7 N O2') self.assertEqual(compound.chem_class, mol.L_PEPTIDE_LINKING) self.assertEqual(compound.inchi, - "1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1") + "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1") self.assertEqual(compound.inchi_key, "QNAYBMKLOCPYGJ-REOHCLBHSA-N") self.assertEqual(compound.smiles, "C[C@@H](C(=O)O)N" )