Update app.py
Browse files
app.py
CHANGED
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@@ -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:
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@@ -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':
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