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Curie-Web
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fixed Docking

This commit is contained in:
Navan Chauhan 2020-09-22 14:09:53 +05:30
parent 1b070d1f7f
commit 726ef5b50a
1 changed files with 10 additions and 4 deletions
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14
app/views.py
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@ -32,6 +32,8 @@ misc = configparser.ConfigParser()
misc.read('app/misc.ini') misc.read('app/misc.ini')
errors = misc['ERRORS'] errors = misc['ERRORS']
base = os.getcwd()
# Note: that when using Flask-WTF we need to import the Form Class that we created # Note: that when using Flask-WTF we need to import the Form Class that we created
# in forms.py # in forms.py
from .forms import MyForm, curieForm, statusForm, generateSMILES, PyMedSearch, dockSingleForm, generatePDBQTS from .forms import MyForm, curieForm, statusForm, generateSMILES, PyMedSearch, dockSingleForm, generatePDBQTS
@ -232,7 +234,7 @@ def generate_pdbqts():
return render_template('error.html',code="OD03",description=errors['OD03']) return render_template('error.html',code="OD03",description=errors['OD03'])
os.rename(path,"app/.pdbqt") os.rename(path,"app/.pdbqt")
path = ".pdbqt" path = ".pdbqt"
fname = pdbId.upper() + ".pdqbt" fname = pdbId.upper() + ".pdbqt"
return send_file(path,attachment_filename=fname,as_attachment=True) return send_file(path,attachment_filename=fname,as_attachment=True)
flash_errors(myform) flash_errors(myform)
return render_template('pdbqt_form.html',form=myform) return render_template('pdbqt_form.html',form=myform)
@ -319,9 +321,11 @@ def dock_manual():
mycon.commit() mycon.commit()
log(("Description",description),"DEBUG") log(("Description",description),"DEBUG")
cwd = os.path.join(os.getcwd(),"app") print(base)
cwd = os.path.join(base,"app")
if app.config['INSTANT_EXEC']: if app.config['INSTANT_EXEC']:
subprocess.Popen(['python3', 'dock-docker.py'],cwd=cwd) subprocess.Popen(['python3', 'dock-manual.py'],cwd=cwd)
return render_template('display_result.html', filename="OwO", description=description,job=jobID) return render_template('display_result.html', filename="OwO", description=description,job=jobID)
flash_errors(form) flash_errors(form)
@ -357,7 +361,9 @@ def dock_automatic():
log(("Description",description),"DEBUG") log(("Description",description),"DEBUG")
cwd = os.path.join(os.getcwd(),"app") #cwd = os.path.join(os.getcwd(),"app")
cwd = os.path.join(base,"app")
if app.config['INSTANT_EXEC']: if app.config['INSTANT_EXEC']:
subprocess.Popen(['python3', 'dock-single.py'],cwd=cwd) subprocess.Popen(['python3', 'dock-single.py'],cwd=cwd)