try again?

ur-whitelab · Mar 13, 2024 · 9ec4db7 · 9ec4db7
1 parent f2e6b20
commit 9ec4db7
Showing 1 changed file with 14 additions and 14 deletions.
diff --git a/tests/test_converters.py b/tests/test_converters.py
@@ -73,20 +73,20 @@ def test_getmolprice(singlemol):
         assert "of this molecule cost" in price
 
 
-#def test_query2smiles_chemspace(singlemol, single_iupac):
-#    if os.getenv("CHEMSPACE_API_KEY") is None:
-#        pytest.skip("No Chemspace API key found")
-#    else:
-#        chemspace = ChemSpace(chemspace_api_key=os.getenv("CHEMSPACE_API_KEY"))
-#        smiles_from_chemspace = chemspace.convert_mol_rep("caffeine", "smiles")
-#        assert "CN1C=NC2=C1C(=O)N(C)C(=O)N2[13CH3]" in smiles_from_chemspace
-#
-#        price = chemspace.buy_mol(singlemol)
-#        assert "of this molecule cost" in price
-#
-#        price = chemspace.buy_mol(single_iupac)
-#        assert "of this molecule cost" in price
-#
+def test_query2smiles_chemspace(singlemol, single_iupac):
+    if os.getenv("CHEMSPACE_API_KEY") is None:
+        pytest.skip("No Chemspace API key found")
+    else:
+        chemspace = ChemSpace(chemspace_api_key=os.getenv("CHEMSPACE_API_KEY"))
+        smiles_from_chemspace = chemspace.convert_mol_rep("caffeine", "smiles")
+        assert "CN1C=NC2=C1C(=O)N(C)C(=O)N2[13CH3]" in smiles_from_chemspace
+
+        price = chemspace.buy_mol(singlemol)
+        assert "of this molecule cost" in price
+
+        price = chemspace.buy_mol(single_iupac)
+        assert "of this molecule cost" in price
+
 
 def test_smiles2name():
     smiles2name = SMILES2Name()