Bug fixes: inch_to_key converter args missing (#1391)

* Update config.yml - fix Circle CI pipeline * Bug fixes: inch_to_key converter args missing --------- Co-authored-by: Dhanshree Arora <[email protected]>
ersilia-os · Nov 21, 2024 · ebc1066 · ebc1066
1 parent 6f879b5
commit ebc1066
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/ersilia/utils/identifiers/compound.py b/ersilia/utils/identifiers/compound.py
@@ -182,7 +182,7 @@ async def process_smiles(self, smiles, semaphore, session, result_list):
                     logger.info("Inchikey converted using PUBCHEM")
 
             if inchikey is None:
-                inchikey = self._nci_smiles_to_inchikey(smiles)
+                inchikey = self._nci_smiles_to_inchikey(session, smiles)
                 if inchikey:
                     logger.info("Inchikey converted using NCI")