#!/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)
#%%
def request_calculation(pdb_file
                        , mutation_list
                        , batch_no
                        , chain
                        , my_email
                        , prediction_url
                        , output_dir
                        #, gene_name
                        #, out_url_file
                        ):
    """
    Makes a POST request for dynamut predictions.

    @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 batch_no: batch no so it can be added as a suffix to the the outfile
	@type int
    
    @param chain: single-letter(caps)
	@type chr

	@param prediction_url: dynamut url for prediction
	@type string
       
    @param output_dir: output dir
	@type string

    @param gene_name: name of gene
	@type string
    
    #@param out_url_file: name of output file with batch no. as suffix
	@type string
       
    @return txt file containing batch no. of snps processed (i.e out_url_file)
    @type string
    """
    
    with open(pdb_file, "rb") as pdb_file, open (mutation_list, "rb") as mutation_list:
        files = {"wild": pdb_file
                 , "mutation_list": mutation_list}
        body = {"chain": chain
                , "email": my_email}

        response = requests.post(prediction_url, files = files, data = body)
        print(response.status_code)
        if response.history:
            print('\nPASS: valid submission. Fetching result url')
            url_match = re.search('/dynamut/results_prediction/.+(?=")', response.text)
            url = host + url_match.group()
            print('\nURL for snp batch no ', str(batch_no), ':', url)
            
            #===============
            # writing file: result urls
            #===============
            dynamut_temp_dir = outdir + '/dynamut_temp'
            if not os.path.exists(dynamut_temp_dir):
                print('\nCreating dynamut_temp in outdir', outdir )
                os.makedirs(dynamut_temp_dir)                    
            
            out_url_file = dynamut_temp_dir + '/dynamut_result_url_batch_' + str(batch_no) + '.txt'
            print('\nWriting output url file:', out_url_file)
            myfile = open(out_url_file, 'a')    
            myfile.write(url)
            myfile.close()
#%%globals!?
host = 'http://biosig.unimelb.edu.au'
#prediction_url = f"{host}/dynamut/prediction_list"
#print(prediction_url)

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

my_chain = 'A'
my_pdb_file = homedir + '/git/Data/streptomycin/input/gid_complex.pdb'

# batch 1: 00.txt
#my_mutation_list = homedir + '/git/Data/streptomycin/output/snp_batches/50/snp_batch_00.txt'
#my_batch = 1

# batch 2: 01.txt
my_mutation_list = outdir + '/snp_batches/50/snp_batch_01.txt'
my_batch = 2

# %% call this function
request_calculation (pdb_file = my_pdb_file
, mutation_list = my_mutation_list
, chain = my_chain
, my_email = 'tanushree.tunstall@lshtm.ac.uk'
, prediction_url = f"{host}/dynamut/prediction_list"
, output_dir = outdir
, batch_no = my_batch)