Test for specific error message

Author: JanCBrammer

INCHI-1-TEST/tests/test_executable/test_aromatic_ions.py

@@ -1,6 +1,7 @@
 import pytest
 from helpers import parse_inchi_from_executable_output
 
+
 @pytest.fixture
 def molfile_Cyclopentadiene_anion():
     return """
@@ -12,18 +13,19 @@ def molfile_Cyclopentadiene_anion():
     0.1498   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
     0.6348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
     0.1498    0.6674    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
-  1  2  4  0      
-  2  3  4  0      
-  3  4  4  0      
-  4  5  4  0      
-  5  1  4  0      
+  1  2  4  0
+  2  3  4  0
+  3  4  4  0
+  4  5  4  0
+  5  1  4  0
 M  CHG  1   5  -1
 M  END
     """
 
+
 @pytest.fixture
 def molfile_Cycloheptatriene_cation():
-  return """
+    return """
   ChemDraw02042509542D
 
   7  7  0  0  0  0  0  0  0  0999 V2000
@@ -34,53 +36,61 @@ def molfile_Cycloheptatriene_cation():
     0.9036    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
     0.5457    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    -0.2586    0.9269    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
-  1  2  4  0      
-  2  3  4  0      
-  3  4  4  0      
-  4  5  4  0      
-  5  6  4  0      
-  6  7  4  0      
-  7  1  4  0      
+  1  2  4  0
+  2  3  4  0
+  3  4  4  0
+  4  5  4  0
+  5  6  4  0
+  6  7  4  0
+  7  1  4  0
 M  CHG  1   7   1
 M  END
 """
 
+
 @pytest.fixture
 def molfile_Cyclopropene_cation():
-  return """
+    return """
   ChemDraw02042509402D
 
   3  3  0  0  0  0  0  0  0  0999 V2000
    -0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    -0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
     0.3572    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
-  1  2  4  0      
-  2  3  4  0      
-  3  1  4  0      
+  1  2  4  0
+  2  3  4  0
+  3  1  4  0
 M  CHG  1   3   1
 M  END
 """
 
+
 @pytest.mark.xfail(strict=True, raises=AssertionError)
 def test_Cyclopentadiene_anion(molfile_Cyclopentadiene_anion, run_inchi_exe):
     result = run_inchi_exe(molfile_Cyclopentadiene_anion)
-    assert (
-        "InChI=1S/C5H5/c1-2-4-5-3-1/h1-5H/q-1"
-        == parse_inchi_from_executable_output(result.output)
+
+    assert "Error -9986 (Cannot process aromatic bonds)" not in result.stderr
+    assert "InChI=1S/C5H5/c1-2-4-5-3-1/h1-5H/q-1" == parse_inchi_from_executable_output(
+        result.output
     )
 
+
 @pytest.mark.xfail(strict=True, raises=AssertionError)
 def test_Cycloheptatriene_cation(molfile_Cycloheptatriene_cation, run_inchi_exe):
     result = run_inchi_exe(molfile_Cycloheptatriene_cation)
+
+    assert "Error -9986 (Cannot process aromatic bonds)" not in result.stderr
     assert (
         "InChI=1S/C7H7/c1-2-4-6-7-5-3-1/h1-7H/q+1"
         == parse_inchi_from_executable_output(result.output)
     )
 
+
 @pytest.mark.xfail(strict=True, raises=AssertionError)
 def test_Cyclopropene_cation(molfile_Cyclopropene_cation, run_inchi_exe):
     result = run_inchi_exe(molfile_Cyclopropene_cation)
-    assert (
-        "InChI=1S/C3H3/c1-2-3-1/h1-3H/q+1"
-        == parse_inchi_from_executable_output(result.output)
+
+    assert "Error -9986 (Cannot process aromatic bonds)" not in result.stderr
+    assert "InChI=1S/C3H3/c1-2-3-1/h1-3H/q+1" == parse_inchi_from_executable_output(
+        result.output
     )