diff options
Diffstat (limited to 'app')
| -rw-r--r-- | app/views.py | 71 |
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) |