annotate toolSelenzyme.py @ 4:6dbb43bdf2f4 draft

planemo upload commit 6a252d04f4b2f79606ab6679b6a91f957e33da7b-dirty

#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Mar 19

@author: Pablo Carbonell
@description: Query Selenzme: Enzyme sequence selection.

"""
import requests
import argparse
import csv
import os
import json

def arguments():
    parser = argparse.ArgumentParser(description='toolSelenzyme: Enzyme sequence selection. Pablo Carbonell, SYNBIOCHEM, 2019')
    parser.add_argument('infile', 
                        help='Input csv file.')
    parser.add_argument('outfile', 
                        help='Input csv file.')
    parser.add_argument('-server', default='http://selenzyme.synbiochem.co.uk/REST',
                        help='Selenzyme server.')
    return parser

# Output columns, to be improved
columns = ['Seq. ID', 'Score', 'Organism Source', 'Description']

if __name__ == "__main__":
    parser = arguments()
    arg = parser.parse_args()
    assert os.path.exists(arg.infile)
    with open(arg.infile) as handler:
        cv = csv.DictReader(handler)
        row = next(cv)
        url = arg.server
        assert 'smarts' in row
        r = requests.post( os.path.join(url, 'Query') , json={'smarts': row['smarts']} )
        res = json.loads( r.content.decode('utf-8') )
        assert res['data'] is not None
        val = json.loads( res['data'] )
        assert 'Seq. ID' in val and len(val['Seq. ID'])>0
        with open(arg.outfile, 'w' ) as writer:
            cw = csv.writer( writer )
            cw.writerow( columns )
            for ix in sorted(val['Seq. ID'], key=lambda z: int(z)):
                cw.writerow( [val[j][ix] for j in columns] )