#!/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
#%% homedir
homedir = os.path.expanduser('~')
print('My homedir is:', homedir)

#%%
host = 'http://biosig.unimelb.edu.au'
prediction_url = f"{host}/dynamut/prediction_list"
print(prediction_url)

#%% example params
gene_name = 'gid'
drug = 'streptomycin'
datadir = homedir + '/git/Data'
indir = datadir + '/' + drug + '/input'
#outdir = datadir + '/' + drug + '/output'
outdir = homedir + '/git/LSHTM_analysis/dynamut' # for example

dynamut_temp_dir = outdir + '/dynamut_temp'

if not os.path.exists(dynamut_temp_dir):
    print('Creating dynamut_temp in outdir', outdir )
    os.makedirs(dynamut_temp_dir)
    
batch_no = 1
out_url_file = dynamut_temp_dir + '/dynamut_result_url_batch_' + str(batch_no) + '.txt'

   
#%% request calculation (no def)
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 = dynamut_temp_dir + '/dynamut_result_url_batch_' + str(batch_no) + '.txt'
            print('Writing output url file:', out_url_file)
            myfile = open(out_url_file, 'a')    
            myfile.write(url)
            myfile.close()

#%%
def request_calculation(pdb_file, mutation_list
                        , chain
                        , my_email
                        , prediction_url
                        , output_dir
                        , gene_name
                        , batch_no
                        , out_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
    """
#====================