Revised by
Alex de Sá
eabe099
| import argparse
import requests
import sys
URL = "http://http://biosig.unimelb.edu.au/tox_csm/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 SMILES')
parser.add_argument('--sdf', dest='sdf', type=str, help='SDF containing several 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='Single SMILES String', required=False, default="")
args = parser.parse_args()
if args.smiles_file == None:
print('usage: python toxcsm_api_sdf_post.py --sdf SDF [--pred_type PREDICTION_TYPE] [--email_address YOUR_EMAIL]')
sys.exit(1)
main(args)
|