Enzo Reis de Oliveira commited on
Commit
c9e9b6b
·
1 Parent(s): 073cdd9

Better error message for batch again

Browse files
Files changed (1) hide show
  1. app.py +5 -3
app.py CHANGED
@@ -70,10 +70,12 @@ def process_inputs(smiles: str, file_obj):
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  total = len(smiles_list)
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  valid = total - len(invalid_smiles)
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  if invalid_smiles:
 
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  msg = (
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- f"{valid} SMILES were successfully processed, "
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- f"{len(invalid_smiles)} had errors:\n"
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- + "\n".join(invalid_smiles)
 
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  )
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  else:
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  msg = f"Processed batch of {valid} SMILES. Download embeddings.csv."
 
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  total = len(smiles_list)
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  valid = total - len(invalid_smiles)
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  if invalid_smiles:
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+ invalid_count = len(invalid_smiles)
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  msg = (
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+ f"{valid} SMILES processed successfully. "
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+ f"{invalid_count} entr{'y' if invalid_count==1 else 'ies'} "
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+ f"could not be parsed by RDKit:\n"
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+ + "\n".join(f"- {sm}" for sm in invalid_smiles)
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  )
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  else:
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  msg = f"Processed batch of {valid} SMILES. Download embeddings.csv."