From ebc1066943361a4b1431db9250f461063ecb9221 Mon Sep 17 00:00:00 2001 From: Abel Legese <73869888+Abellegese@users.noreply.github.com> Date: Thu, 21 Nov 2024 14:38:44 +0300 Subject: [PATCH] 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 --- ersilia/utils/identifiers/compound.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/ersilia/utils/identifiers/compound.py b/ersilia/utils/identifiers/compound.py index a68db6ae6..18c98667b 100644 --- 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")