#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Wed Aug 19 14:33:51 2020

@author: tanu
"""
#%% load packages
import os,sys
import subprocess
import argparse
import requests
import re
import time
from bs4 import BeautifulSoup
import pandas as pd
from pandas.api.types import is_string_dtype
from pandas.api.types import is_numeric_dtype
#%%
host = 'http://biosig.unimelb.edu.au'
prediction_url = f"{host}/dynamut/prediction_list"
print(prediction_url)

#%%
#def format_data(data_file):
   
#%% request calculation (no def)
output_dir = "/home/tanu/git/LSHTM_analysis/dynamut"
gene_name = 'gid'
with open("/home/tanu/git/Data/streptomycin/input/gid_complex.pdb", "rb") as pdb_file, open ("/home/tanu/git/LSHTM_analysis/dynamut/snp_test2.csv") as mutation_list:
        files = {"wild": pdb_file
                 , "mutation_list": mutation_list}
        body = {"chain": 'A'
                , "email": 'tanushree.tunstall@lshtm.ac.uk'}

        response = requests.post(prediction_url, files = files, data = body)
        print(response.status_code)
        if response.history:
            print('PASS: valid mutation submitted. Fetching result url')
            url_match = re.search('/dynamut/results_prediction/.+(?=")', response.text)
            url = host + url_match.group()
            print(url)
            #===============
            # writing file: result urls
            #===============
            out_url_file = output_dir + '/' + gene_name.lower() + '_snp_batch' + '_result_url.txt'
            print(out_url_file)
            myfile = open(out_url_file, 'a')    
            myfile.write(url + '\n')
            myfile.close()
        else:
            print('ERROR: invalid mutation! Wild-type residue doesn\'t match pdb file.'
                 , '\nSkipping to the next mutation in file...')
             #===============
             # writing file: invalid mutations
             #===============
            out_error_file = output_dir + '/' + gene_name.lower() + '_errors.txt'
            failed_muts = open(out_error_file, 'a')    
            failed_muts.write(mutation_list + '\n')
            failed_muts.close()

#%%
def request_calculation(pdb_file, mutation_list, chain, my_email, prediction_url
                        #, output_dir, gene_name
                        , url_file):
    """
    Makes a POST request for a ligand affinity prediction.

    @param pdb_file: valid path to pdb structure
    @type string
    
    @param mutation_list: list of mutations (1 per line) of the format: {WT}<POS>{Mut}
	@type string
	
    @param chain: single-letter(caps)
	@type chr

	@param prediction_url: dynamut url for prediction
	@type string
       
    @return response object
    @type object
    """
#====================