import argparse
import requests
import sys

URL = "https://biosig.lab.uq.edu.au/dynamut2/api/prediction_single"

def main(args):
    pdb_file = args.pdb_file
    mutation = args.mutation
    chain = args.chain

    pdb_to_submit = {"pdb_file": open(pdb_file,"rb")}
    params = {
        "mutation": mutation,
        "chain": chain
    }

    req = requests.post(URL, files=pdb_to_submit, data=params)
    print(req.json())
    return True

if __name__ == "__main__":
    parser = argparse.ArgumentParser(description='Job submission for single prediction - DynaMut2')
    parser.add_argument('--pdb_file', dest='pdb_file', type=str, help='PDB file', required=False, default=None)
    parser.add_argument('--pdb_code', dest='pdb_code', type=str, help='4-digit PDB code', required=False, default=None)
    parser.add_argument('--mutation', dest='mutation', type=str, help='Mutation code AA_FROM RESIDUE_NUMBER AA_TO - e.g.: E346K')
    parser.add_argument('--chain', dest='chain', type=str, help='Chain Identifier')

    args = parser.parse_args()
    if args.pdb_code == None and args.pdb_file == None:
        print('usage: main.py [-h] [--pdb_file PDB_FILE] [--pdb_code PDB_CODE]')
        print('[--mutation MUTATION] [--chain CHAIN]')
        print('main.py: error: missing arguments: Please provide --pdb_file or --pdb_code')
        sys.exit(1)
    main(args)