fixed Docking
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parent
1b070d1f7f
commit
726ef5b50a
14
app/views.py
14
app/views.py
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@ -32,6 +32,8 @@ misc = configparser.ConfigParser()
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misc.read('app/misc.ini')
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errors = misc['ERRORS']
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base = os.getcwd()
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# Note: that when using Flask-WTF we need to import the Form Class that we created
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# in forms.py
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from .forms import MyForm, curieForm, statusForm, generateSMILES, PyMedSearch, dockSingleForm, generatePDBQTS
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@ -232,7 +234,7 @@ def generate_pdbqts():
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return render_template('error.html',code="OD03",description=errors['OD03'])
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os.rename(path,"app/.pdbqt")
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path = ".pdbqt"
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fname = pdbId.upper() + ".pdqbt"
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fname = pdbId.upper() + ".pdbqt"
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return send_file(path,attachment_filename=fname,as_attachment=True)
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flash_errors(myform)
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return render_template('pdbqt_form.html',form=myform)
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@ -319,9 +321,11 @@ def dock_manual():
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mycon.commit()
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log(("Description",description),"DEBUG")
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cwd = os.path.join(os.getcwd(),"app")
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print(base)
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cwd = os.path.join(base,"app")
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if app.config['INSTANT_EXEC']:
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subprocess.Popen(['python3', 'dock-docker.py'],cwd=cwd)
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subprocess.Popen(['python3', 'dock-manual.py'],cwd=cwd)
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return render_template('display_result.html', filename="OwO", description=description,job=jobID)
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flash_errors(form)
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@ -357,7 +361,9 @@ def dock_automatic():
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log(("Description",description),"DEBUG")
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cwd = os.path.join(os.getcwd(),"app")
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#cwd = os.path.join(os.getcwd(),"app")
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cwd = os.path.join(base,"app")
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if app.config['INSTANT_EXEC']:
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subprocess.Popen(['python3', 'dock-single.py'],cwd=cwd)
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