cafierom commited on
Commit
9f0d721
·
verified ·
1 Parent(s): c1bde77

Update app.py

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Files changed (1) hide show
  1. app.py +6 -0
app.py CHANGED
@@ -159,6 +159,8 @@ docking_tool: uses dockstring to dock the molecule into the protein, producing a
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  if len(tool_choices) == 1:
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  tool1 = tool_choices[0].strip().lower()
 
 
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  if tool1.lower() == 'none':
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  tool_choice = (None, None)
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  else:
@@ -166,6 +168,10 @@ docking_tool: uses dockstring to dock the molecule into the protein, producing a
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  elif len(tool_choices) == 2:
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  tool1 = tool_choices[0].strip().lower()
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  tool2 = tool_choices[1].strip().lower()
 
 
 
 
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  if tool1.lower() == 'none' and tool2.lower() == 'none':
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  tool_choice = (None, None)
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  elif tool1.lower() == 'none' and tool2.lower() != 'none':
 
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  if len(tool_choices) == 1:
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  tool1 = tool_choices[0].strip().lower()
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+ if ('autodock' in tool1) or ('docking' in tool1):
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+ tool1 = 'docking_tool'
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  if tool1.lower() == 'none':
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  tool_choice = (None, None)
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  else:
 
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  elif len(tool_choices) == 2:
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  tool1 = tool_choices[0].strip().lower()
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  tool2 = tool_choices[1].strip().lower()
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+ if ('autodock' in tool1) or ('docking' in tool1):
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+ tool1 = 'docking_tool'
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+ if ('autodock' in tool2) or ('docking' in tool2):
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+ tool2 = 'docking_tool'
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  if tool1.lower() == 'none' and tool2.lower() == 'none':
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  tool_choice = (None, None)
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  elif tool1.lower() == 'none' and tool2.lower() != 'none':