yinuozhang commited on
Commit
e2dd340
·
1 Parent(s): 159e2ff
Files changed (1) hide show
  1. app.py +10 -5
app.py CHANGED
@@ -990,11 +990,16 @@ def process_input(
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  #summary += f"Aromatic Cycles: {', '.join(aromatic_cycles)}\n"
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  if structure_files:
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- summary += "\n3D Structures Generated:\n"
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- for filepath in structure_files:
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- summary += f"- {os.path.basename(filepath)}\n"
 
 
 
 
 
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- return summary, img_cyclic, img_linear, structure_files if structure_files else []
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  except Exception as e:
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  return f"Error processing SMILES: {str(e)}", None, None, []
@@ -1087,7 +1092,7 @@ iface = gr.Interface(
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  ),
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  gr.File(
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  label="3D Structure Files",
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- file_count="multiple"
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  )
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  ],
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  title="Peptide Structure Analyzer and Visualizer",
 
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  #summary += f"Aromatic Cycles: {', '.join(aromatic_cycles)}\n"
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  if structure_files:
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+ szip_path = os.path.join(temp_dir, "structures.zip")
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+ with zipfile.ZipFile(zip_path, "w") as zf:
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+ for fpath in structure_files:
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+ zf.write(fpath, os.path.basename(fpath))
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+ # return the single ZIP instead of a list of SDFs:
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+ return summary, img_cyclic, img_linear, zip_path
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+ else:
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+ return summary, img_cyclic, img_linear, None
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+ #return summary, img_cyclic, img_linear, structure_files if structure_files else []
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  except Exception as e:
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  return f"Error processing SMILES: {str(e)}", None, None, []
 
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  ),
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  gr.File(
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  label="3D Structure Files",
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+ file_count=1
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  )
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  ],
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  title="Peptide Structure Analyzer and Visualizer",