libokj commited on
Commit
e7b334b
·
1 Parent(s): 2572676

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +19 -12
app.py CHANGED
@@ -1004,11 +1004,6 @@ def unwrap_text(text):
1004
  return text.strip.replece('\n', '')
1005
 
1006
 
1007
- def smiles_from_sdf(sdf_path):
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- with Chem.SDMolSupplier(sdf_path) as suppl:
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- return Chem.MolToSmiles(suppl[0])
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-
1011
-
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  def drug_library_from_sdf(sdf_path):
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  return PandasTools.LoadSDF(
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  sdf_path,
@@ -1528,8 +1523,15 @@ with gr.Blocks(theme=theme, title='DeepSEQreen', css=CSS) as demo:
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  finally:
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  return fasta_seq
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1532
- target_upload_btn.upload(fn=lambda x: x.decode(), inputs=target_upload_btn, outputs=target_fasta)
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  target_query_btn.click(uniprot_query,
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  inputs=[target_input_type, target_id, target_gene, target_organism],
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  outputs=target_fasta)
@@ -1633,12 +1635,17 @@ QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
1633
 
1634
 
1635
  def compound_upload_process(input_type, input_upload):
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- match input_type:
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- case 'SMILES':
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- return input_upload.decode()
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- case 'SDF':
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- suppl = Chem.ForwardSDMolSupplier(io.BytesIO(input_upload))
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- return Chem.MolToSmiles(next(suppl))
 
 
 
 
 
1642
 
1643
 
1644
  compound_upload_btn.upload(fn=compound_upload_process,
 
1004
  return text.strip.replece('\n', '')
1005
 
1006
 
 
 
 
 
 
1007
  def drug_library_from_sdf(sdf_path):
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  return PandasTools.LoadSDF(
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  sdf_path,
 
1523
  finally:
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  return fasta_seq
1525
 
1526
+ def process_fasta_upload(fasta_upload):
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+ fasta = ''
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+ try:
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+ fasta = fasta_upload.decode()
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+ except Exception as e:
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+ gr.Warning(f"Please upload a valid FASTA file. Error: {str(e)}")
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+ return fasta
1533
 
1534
+ target_upload_btn.upload(fn=process_fasta_upload, inputs=target_upload_btn, outputs=target_fasta)
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  target_query_btn.click(uniprot_query,
1536
  inputs=[target_input_type, target_id, target_gene, target_organism],
1537
  outputs=target_fasta)
 
1635
 
1636
 
1637
  def compound_upload_process(input_type, input_upload):
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+ smiles = ''
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+ try:
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+ match input_type:
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+ case 'SMILES':
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+ smiles = input_upload.decode()
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+ case 'SDF':
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+ suppl = Chem.ForwardSDMolSupplier(io.BytesIO(input_upload))
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+ smiles = Chem.MolToSmiles(next(suppl))
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+ except Exception as e:
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+ gr.Warning(f"Please upload a valid {input_type} file. Error: {str(e)}")
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+ return smiles
1649
 
1650
 
1651
  compound_upload_btn.upload(fn=compound_upload_process,