import mysql.connector as con debug = False host = "navanspi.duckdns.org" done = 1 if debug != False: host = "192.168.1.6" done = 0 mycon = con.connect(host=host,user="curieweb",password="curie-web-russian-54",port=3306,database="curie") mycursor = mycon.cursor() try: mycursor.execute("create table curieweb ( id varchar(16) primary key, email nvarchar(255) NOT NULL, protein LONGBLOB NOT NULL, protein_name VARCHAR(255), ligand_pdbqt LONGBLOB, ligand_smile VARCHAR(255), ligand_name VARCHAR(255), config LONGBLOB NOT NULL, date DATE, description VARCHAR(255), done TINYINT DEFAULT 0)") except con.ProgrammingError: print("Table Already Exists!") from random import choice, shuffle from string import digits, ascii_lowercase 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): with open(filename, 'rb') as file: binaryData = file.read() return binaryData ligand = convertToBinaryData("./files/Eucalyptol.pdbqt") receptor = convertToBinaryData("./files/6LU7.pdbqt") config = convertToBinaryData("./files/6LU7.txt") ligandName = "Eucalyptol" receptorName = "6LU7" sqlQuery = "insert into curieweb (id, email, protein, protein_name, ligand_pdbqt, ligand_name,date, config,done) values (%s,%s,%s,%s,%s,%s,CURDATE(),%s,%s) " jobID = gen_word(16, 1, 1) print("Succesfuly submitted Job ID:",jobID) insert_tuple = (jobID,"navanchauhan@gmail.com",receptor,receptorName,ligand,ligandName,config,done) try: mycursor.execute(sqlQuery,insert_tuple) except con.IntegrityError: print("Oops, Collision occured. Generating new Job ID and trying again.") jobID = gen_word(16, 1, 1) insert_tuple = (jobID,"navanchauhan@gmail.com",receptor,receptorName,ligand,ligandName,config,done) mycursor.execute(sqlQuery,insert_tuple) print("Removing Test Query") q = 'delete from curieweb where id="%s"' % (jobID) mycursor.execute(q) mycon.commit() print("Database working perfectly")