Fixing pytest error: Adding a session to the compound identifier func…

…tion

ersilia/utils/identifiers/compound.py

@@ -54,10 +54,16 @@ def is_key_header(self, h):
 
     def _is_smiles(self, text):
         if self.Chem is None:
-            return self._pubchem_smiles_to_inchikey(text) is not None
+            return asyncio.run(self._pubchem_smiles_to_inchikey_sync(text))
         else:
             mol = self.Chem.MolFromSmiles(text)
             return mol is not None
+
+    async def _pubchem_smiles_to_inchikey_sync(self, text):
+        semaphore = asyncio.Semaphore(self.concurrency_limit)
+        async with semaphore:
+            async with aiohttp.ClientSession() as session:
+                return await self._pubchem_smiles_to_inchikey(session, text)
 
     @staticmethod
     def _is_inchikey(text):
@@ -227,4 +233,4 @@ async def fetch_inchikeys():
     def validate_smiles(self, smiles):
         return smiles.strip() != "" and Chem.MolFromSmiles(smiles) is not None
 
-Identifier = CompoundIdentifier
+Identifier = CompoundIdentifier