cafierom commited on
Commit
717ebb6
·
verified ·
1 Parent(s): cbd4bf2

Update app.py

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Files changed (1) hide show
  1. app.py +2 -1
app.py CHANGED
@@ -132,6 +132,7 @@ def similars_node(state: State) -> State:
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  #while x == 2:
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  if (state['query_smiles'] != None) and (state['query_smiles'] != '') and (state['query_smiles'] != 'None'):
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  smiles = state["query_smiles"]
 
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  res = pcp.get_compounds(smiles, "smiles", searchtype="similarity",listkey_count=20)
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  props_string = f'The following molecules are similar to {smiles}: \n'
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  # elif (state['query_name'] != None) and (state['query_name'] != '') and (state['query_name'] != 'None'):
@@ -170,7 +171,7 @@ def similars_node(state: State) -> State:
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  # outf.write(pic)
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  img.save(filename)
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  except:
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- props_string = 'Look further.\n'
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  filename = None
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  current_props_string += props_string
 
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  #while x == 2:
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  if (state['query_smiles'] != None) and (state['query_smiles'] != '') and (state['query_smiles'] != 'None'):
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  smiles = state["query_smiles"]
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+ print('trying with smiles')
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  res = pcp.get_compounds(smiles, "smiles", searchtype="similarity",listkey_count=20)
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  props_string = f'The following molecules are similar to {smiles}: \n'
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  # elif (state['query_name'] != None) and (state['query_name'] != '') and (state['query_name'] != 'None'):
 
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  # outf.write(pic)
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  img.save(filename)
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  except:
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+ props_string = ''
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  filename = None
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  current_props_string += props_string