import argparse
import requests
import sys

URL = "http://biosig.lab.uq.edu.au/deeppk/api/predict"

def main(args):
    job_id = args.job_id

    params = {
        "job_id": job_id,
    }

    req = requests.get(URL, data=params)

    print(req.json())

if __name__ == "__main__":
    parser = argparse.ArgumentParser(
        description='Retrieve job results for deep-pk')
    parser.add_argument('job_id', type=str,
                        help='Job identifier code generated upon submission')

    args = parser.parse_args()
    main(args)

import argparse
import requests
import sys

URL = "http://biosig.lab.uq.edu.au/deeppk/api/predict"

def main(args):   
    if args.smiles_file:
        params = {
            "email_address": args.email_address,
            "pred_type": args.pred_type

        }
        file_to_submit = {
            'smiles_file': args.smiles_file
        }
        req = requests.post(URL, data=params, files=file_to_submit)
    elif args.sdf_file:
        params = {
            "email_address": args.email_address,
            "pred_type": args.pred_type

        }
        file_to_submit = {
            'sdf_file': args.sdf_file
        }
        req = requests.post(URL, data=params, files=file_to_submit)
    else:
        params = {
        "email_address": args.email_address,
        "smiles": args.smiles,
        "pred_type": args.pred_type
        }
        req = requests.post(URL, data=params)

    return req.json() 

if __name__ == "__main__":
    parser = argparse.ArgumentParser(description='Job submission for deep-pk\n')
    parser.add_argument('--smiles',  dest='smiles', type=str, help='Single SMILES string', required=False, default=None)    
    parser.add_argument('--smiles_file',  dest='smiles_file', type=argparse.FileType('r'), help='SMILES file', required=False, default=None)    
    parser.add_argument('--sdf_file',  dest='sdf_file', type=argparse.FileType('r'), help='SDF file', required=False, default=None)      
    parser.add_argument('--pred_type',  dest='pred_type', type=str, help='prediction mode: Absorption, Distribution, Metabolism, Excretion and ADMET', required=False, default="ADMET") 
    parser.add_argument('--email_address',  dest='email_address', type=str, help='E-mail address string', required=False, default="")
  
    args = parser.parse_args()
    if (not args.smiles) and (not args.smiles_file) and (not args.sdf_file):
        print('usage: python deeppk_api_smiles_post.py --smiles/--smiles_file/--sdf_file [--pred_type PREDICTION_TYPE] [--email_address YOUR_EMAIL]')
        sys.exit(1)
    job_id = main(args)
    print(job_id)