62 lines
2.1 KiB
Python
62 lines
2.1 KiB
Python
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import mysql.connector as con
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debug = False
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host = "navanspi.duckdns.org"
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done = 1
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if debug != False:
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host = "192.168.1.6"
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done = 0
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mycon = con.connect(host=host,user="curieweb",password="curie-web-russian-54",port=3306,database="curie")
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mycursor = mycon.cursor()
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try:
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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)")
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except con.ProgrammingError:
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print("Table Already Exists!")
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from random import choice, shuffle
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from string import digits, ascii_lowercase
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def gen_word(N, min_N_dig, min_N_low):
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choose_from = [digits]*min_N_dig + [ascii_lowercase]*min_N_low
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choose_from.extend([digits + ascii_lowercase] * (N-min_N_low-min_N_dig))
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chars = [choice(bet) for bet in choose_from]
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shuffle(chars)
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return ''.join(chars)
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def convertToBinaryData(filename):
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with open(filename, 'rb') as file:
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binaryData = file.read()
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return binaryData
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ligand = convertToBinaryData("./files/Eucalyptol.pdbqt")
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receptor = convertToBinaryData("./files/6LU7.pdbqt")
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config = convertToBinaryData("./files/6LU7.txt")
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ligandName = "Eucalyptol"
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receptorName = "6LU7"
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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) "
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jobID = gen_word(16, 1, 1)
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print("Succesfuly submitted Job ID:",jobID)
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insert_tuple = (jobID,"navanchauhan@gmail.com",receptor,receptorName,ligand,ligandName,config,done)
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try:
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mycursor.execute(sqlQuery,insert_tuple)
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except con.IntegrityError:
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print("Oops, Collision occured. Generating new Job ID and trying again.")
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jobID = gen_word(16, 1, 1)
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insert_tuple = (jobID,"navanchauhan@gmail.com",receptor,receptorName,ligand,ligandName,config,done)
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mycursor.execute(sqlQuery,insert_tuple)
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print("Removing Test Query")
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q = 'delete from curieweb where id="%s"' % (jobID)
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mycursor.execute(q)
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mycon.commit()
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print("Database working perfectly")
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