import argparse
import requests
import sys

URL = "https://biosig.lab.uq.edu.au/toxcsm/api/predict"

def main(args):   
    params = {
        "email_address": args.email_address,
        "pred_type": args.pred_type
    }
    smiles_to_submit = {"sdf": open(args.sdf,"r")}

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

if __name__ == "__main__":
    parser = argparse.ArgumentParser(description='Job submission for a single SDF')
    parser.add_argument('--sdf',  dest='sdf', type=str, help='SDF containing several molecules (at most, 1000 molecules).', required=False, default=None)    
    parser.add_argument('--pred_type',  dest='pred_type', type=str, help='prediction mode: all (default), organic, environmental, human_dose_response, nuclear_response, stress_response', required=False, default="all") 
    parser.add_argument('--email_address',  dest='email_address', type=str, help='E-mail address string', required=False, default="")

    args = parser.parse_args()
    if args.sdf == None:
        print('usage: python toxcsm_api_sdf_post.py --sdf SDF [--pred_type PREDICTION_TYPE] [--email_address YOUR_EMAIL]')
        sys.exit(1)

    main(args)