Zhaohan Meng commited on
Commit
3647a14
·
verified ·
1 Parent(s): 9487232

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +7 -8
app.py CHANGED
@@ -41,11 +41,11 @@ def simple_seq_from_structure(path: str) -> str:
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  def smiles_to_selfies(smiles: str) -> Optional[str]:
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  try:
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  mol = Chem.MolFromSmiles(smiles)
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- if mol is None:
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- return None
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  return selfies.encoder(smiles)
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  except:
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- return None
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  def parse_config():
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  p = argparse.ArgumentParser()
@@ -493,10 +493,9 @@ with gr.Blocks(css=css) as demo:
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  file_types=[".pdb", ".cif"],
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  elem_id="structure-file"
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  )
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- drug_idx = gr.Number(
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- label="Drug atom/substructure index (1-based)",
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- value=None,
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- precision=0,
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  elem_id="drug-idx"
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  )
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@@ -535,7 +534,7 @@ with gr.Blocks(css=css) as demo:
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  outputs=[output_html]
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  )
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  clear_btn.click(
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- fn=lambda: ("", "", None, ""),
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  inputs=[],
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  outputs=[protein_seq, drug_seq, drug_idx, output_html]
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  )
 
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  def smiles_to_selfies(smiles: str) -> Optional[str]:
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  try:
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  mol = Chem.MolFromSmiles(smiles)
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+ if mol is "":
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+ return ""
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  return selfies.encoder(smiles)
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  except:
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+ return ""
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  def parse_config():
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  p = argparse.ArgumentParser()
 
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  file_types=[".pdb", ".cif"],
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  elem_id="structure-file"
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  )
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+ drug_idx = gr.Textbox(
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+ label="Drug atom index (1-based)",
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+ lines=1,
 
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  elem_id="drug-idx"
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  )
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  outputs=[output_html]
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  )
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  clear_btn.click(
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+ fn=lambda: ("", "", "", ""),
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  inputs=[],
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  outputs=[protein_seq, drug_seq, drug_idx, output_html]
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  )