lingyuzeng/SIME
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added button to go back to main page. default files work.

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This commit is contained in:
zinph
2020-01-26 19:09:52 -05:00
parent 1c84b966db
commit e99c4150fa
3 changed files with 24 additions and 5 deletions
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1
SIME.py
View File

@@ -214,7 +214,6 @@ class SIME:
When total compound is 1000000 or library size, this function will be called
to write compounds to file.
'''
print(compound_list)
file_temp = self.smile_file_name + '_'+str(file_counter)+'.smiles' # attempts to split files because they get too large. Name of the first file will be "file_" + this variable
with open(file_temp,'a+') as file_handler:
file_handler.write('\n'.join(compound_list))

9
main.py
View File

@@ -23,6 +23,10 @@ app.config['UPLOAD_FOLDER'] = UPLOAD_FOLDER
def main_page():
return render_template('index.html')
@app.route('/success')
def success_page(duration):
return render_template('success.html', duration=duration)
@app.route('/collect_data',methods=['POST'])
def collect_data():
form_data = request.form
@@ -73,11 +77,8 @@ def collect_data():
start_time = time.time()
sample.generate_templates_withExtendersNSugars(smile)
duration = convert_time(time.time()-start_time)
f'Time Elapsed for Enumeration: {duration}'
return f'''Time Elapsed for Enumeration: {duration}.
Your chemical libraries have been generated.
Please check in LIBRARIES folder. The resulting files for info and smiles should be there.'''
return success_page(duration)
#return form_data, form_files
def convert_time(second):

19
templates/success.html Normal file
View File

@@ -0,0 +1,19 @@
<!DOCTYPE html>
<html lang="en" dir="ltr">
<head>
<meta charset="utf-8">
<title></title>
</head>
<body>
<p>
Time Elapsed for Enumeration: {{duration}}.<br>
Your chemical libraries have been generated.<br>
Please check in LIBRARIES folder. The resulting files for info and smiles should be there.
</p>
<form class="" action="{{url_for('main_page')}}" method="get">
<input type="submit" name="" value="Go back to Main Page">
</form>
<!-- <button type="submit" name="button" onclick="{{url_for('main_page')}}" value="Go to Main Menu"></button> -->
</body>
</html>