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-rw-r--r--app/views.py71
1 files changed, 41 insertions, 30 deletions
diff --git a/app/views.py b/app/views.py
index 42c119e..c4672c3 100644
--- a/app/views.py
+++ b/app/views.py
@@ -7,11 +7,26 @@ import os
from app import app
from flask import render_template, request, flash
from werkzeug.utils import secure_filename
+from random import choice, shuffle
+from string import digits, ascii_lowercase
# Note: that when using Flask-WTF we need to import the Form Class that we created
# in forms.py
from .forms import MyForm, curieForm
+def gen_word(N, min_N_dig, min_N_low):
+ choose_from = [digits]*min_N_dig + [ascii_lowercase]*min_N_low
+ choose_from.extend([digits + ascii_lowercase] * (N-min_N_low-min_N_dig))
+ chars = [choice(bet) for bet in choose_from]
+ shuffle(chars)
+ return ''.join(chars)
+
+def convertToBinaryData(filename):
+ # Convert digital data to binary format
+ with open(filename, 'rb') as file:
+ binaryData = file.read()
+ return binaryData
+
###
# Routing for your application.
@@ -73,7 +88,6 @@ def dock_upload():
if request.method == 'POST' and form.validate_on_submit():
- #photo = photoform.photo.data # we could also use request.files['photo']
description = form.description.data
target = form.target.data
ligand = form.ligand.data
@@ -82,36 +96,33 @@ def dock_upload():
email = form.email.data
import mysql.connector as con
- mycon = con.connect(host="sql12.freesqldatabase.com",user="sql12352288",password="7X35JENbK3",port=3306,database="sql12352288")
+ mycon = con.connect(host=app.config['DB_HOST'],user=app.config['DB_USER'],password=app.config['DB_PASSWORD'],port=app.config['DB_PORT'],database=app.config['DB_NAME'])
mycursor = mycon.cursor()
- mycursor.execute("SELECT COUNT(*) FROM curie")
- jobID = mycursor.fetchall()[0][0]
-
- i = int(jobID) + 1
- t = str(i) + "_" + str(secure_filename(target.filename))
- l = str(i) + "_" + str(secure_filename(ligand.filename))
- c = "./app/static/uploads/configs/" + str(i) + ".txt"
-
-
- buffer = "center_x="+cx+"\ncenter_y="+cy+"\ncenter_z="+cz+"\nsize_x="+sx+"\nsize_y="+sy+"\nsize_z="+sz
- f = open(c,"w")
- f.write(buffer)
- f.close
-
- print(description)
-
- target.save(os.path.join(
- #app.config['UPLOAD_FOLDER'], secure_filename(target.filename)
- "./app/static/uploads/receptor",t #secure_filename(target.filename)
- ))
- ligand.save(os.path.join("./app/static/uploads/ligands",l))
- mycursor.execute("insert into curie values ({},'{}','{}','{}','{}',CURDATE(),'{}',0)".format(i,email,t,l,(str(i)+".txt"),description))
- mycon.commit()
- #photo.save(os.path.join(
- # app.config['UPLOAD_FOLDER'], filename
- #))
-
- return render_template('display_photo.html', filename="OwO", description=description)
+
+ import tempfile
+ with tempfile.TemporaryDirectory() as directory:
+ os.chdir(directory)
+ target.save(secure_filename(target.filename))
+ ligand.save(secure_filename(ligand.filename))
+ buffer = "center_x="+cx+"\ncenter_y="+cy+"\ncenter_z="+cz+"\nsize_x="+sx+"\nsize_y="+sy+"\nsize_z="+sz
+ f = open("config.txt","w")
+ f.write(buffer)
+ f.close()
+ ligandB = convertToBinaryData(secure_filename(ligand.filename))
+ receptor = convertToBinaryData(secure_filename(target.filename))
+ config = convertToBinaryData("config.txt")
+ ligandName = secure_filename(ligand.filename)
+ receptorName = secure_filename(target.filename)
+ sqlQuery = "insert into curieweb (id, email, protein, protein_name, ligand_pdbqt, ligand_name,date, description, config) values (%s,%s,%s,%s,%s,%s,CURDATE(),%s,%s) "
+ jobID = gen_word(16, 1, 1)
+ print("Submitted JobID: ",jobID)
+ insert_tuple = (jobID,email,receptor,receptorName,ligandB,ligandName,description,config)
+ mycursor.execute(sqlQuery,insert_tuple)
+ mycon.commit()
+
+ print("Description",description)
+
+ return render_template('display_result.html', filename="OwO", description=description,job=jobID)
flash_errors(form)
return render_template('dock_upload.html', form=form)