Mercurial > repos > bgruening > chembl

diff chembl.py @ 5:1ade252ebe08 draft

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:20:47 -0400
parents 59eea7d0d720
children a57de37f12c2
line wrap: on
line diff
--- a/chembl.py	Tue May 19 05:34:34 2020 -0400
+++ b/chembl.py	Tue Jul 28 08:20:47 2020 -0400
@@ -13,7 +13,10 @@
     """ 
     smiles = set()
     for smi in res: 
-        smiles.add('{}\t{}'.format(smi['molecule_structures']['canonical_smiles'], smi['molecule_chembl_id']))
+        try:
+            smiles.add('{}\t{}'.format(smi['molecule_structures']['canonical_smiles'], smi['molecule_chembl_id']))
+        except TypeError:
+            continue
     return smiles
 
 def sim_search(smiles, tanimoto):