added single config.ini to change variables

app/__init__.py

@@ -1,9 +1,26 @@
 from flask import Flask
 
-# Config Values
+import configparser
+config = configparser.ConfigParser()
+config.read('config.ini')
+
+DB_HOST = config['DATABASE']['HOST']
+DB_PORT = config['DATABASE']['PORT']
+DB_USER = config['DATABASE']['USER']
+DB_PASSWORD = config['DATABASE']['PASSWORD']
+DB_NAME = config['DATABASE']['NAME']
+UPLOAD_FOLDER = config['FILES']['UPLOAD_FOLDER']
+
+"""
+# Hardcoded Values
 # location where file uploads will be stored
 UPLOAD_FOLDER = './app/static/uploads'
 DB_HOST = 'navanspi.duckdns.org' #'navanspi.duckdns.org'
+DB_PORT = 3306
+DB_USER = 'curieweb'
+DB_PASSWORD = 'curie-web-russian-54'
+DB_NAME = 'curie'
+"""
 
 import subprocess
 import hashlib
@@ -16,10 +33,7 @@ try:
 except:
     None
 
-DB_PORT = 3306
+
-DB_USER = 'curieweb'
-DB_PASSWORD = 'curie-web-russian-54'
-DB_NAME = 'curie'
 # needed for session security, the flash() method in this case stores the message
 # in a session
 SECRET_KEY = 'Sup3r$3cretkey'

app/dock-single.py

@@ -8,7 +8,16 @@ from collections import namedtuple
 
 import mysql.connector as con
 
-mycon = con.connect(host='192.168.1.6',user="curieweb",password="curie-web-russian-54",port=3306,database="curie")
+import configparser
+config = configparser.ConfigParser()
+config.read('config.ini')
+
+try:
+    config['DATABASE']
+except KeyError:
+    config.read("../config.ini")
+
+mycon = con.connect(host=config['DATABASE']['HOST'],user=config['DATABASE']['USER'],password=config['DATABASE']['PASSWORD'],port=config['DATABASE']['PORT'],database=config['DATABASE']['NAME'])
 mycursor = mycon.cursor()
 
 sql_select_Query = "SELECT id,email,pdb,ligand_smile,ligand_name,description,date FROM curieweb WHERE pdb IS NOT NULL AND done=0 LIMIT 1"

app/dock_docker.py

@@ -1,6 +1,15 @@
 import mysql.connector as con
 
-mycon = con.connect(host='192.168.1.6',user="curieweb",password="curie-web-russian-54",port=3306,database="curie")
+import configparser
+config = configparser.ConfigParser()
+config.read('config.ini')
+
+try:
+    config['DATABASE']
+except KeyError:
+    config.read("../config.ini")
+
+mycon = con.connect(host=config['DATABASE']['HOST'],user=config['DATABASE']['USER'],password=config['DATABASE']['PASSWORD'],port=config['DATABASE']['PORT'],database=config['DATABASE']['NAME'])
 mycursor = mycon.cursor()
 
 sql_select_Query = "select * from curieweb where done=0 LIMIT 1"
@@ -47,17 +56,17 @@ def email(zipArchive):
 
 def get3DModel(protein,ligand):
     try:
-	    import pymol2
+        import pymol2
     except ImportError:
         print("🤭 PyMOL 2 has not been installed correctly")
         return None
-	session = pymol2.PyMOL()
+    session = pymol2.PyMOL()
-	session.start()
+    session.start()
-	cmd = session.cmd
+    cmd = session.cmd
-	cmd.load(protein,"target")
+    cmd.load(protein,"target")
-	cmd.load(ligand,"ligand")
+    cmd.load(ligand,"ligand")
-	cmd.save("model.dae")
+    cmd.save("model.dae")
-	session.stop()
+    session.stop()
 
 receptor_name = "protein.pdbqt"
 ligand_name = "ligand.pdbqt"

config.ini

@@ -0,0 +1,14 @@
+[DATABASE]
+HOST = navanspi.duckdns.org
+PORT = 3306
+USER = curieweb
+PASSWORD = curie-web-russian-54
+NAME = curie
+
+[LOGS]
+ERRORS = logs/errors.log
+INFO = data/info.log
+
+[FILES]
+UPLOAD_FOLDER = ./app/static/uploads
+TEMPLATES_FOLDER = templates