# -*- coding: utf-8 -*-
# :noTabs=true:

import sys, os, os.path, subprocess, shutil, commands
import json
args = json.load( file('.arguments.py') )
input_ = json.load( file('input.json') )

essential = []  # list of essential files for this jobs, rest of files will be deleted in ~30 days after the job finish. , Files in this list should NOT include 'output/' prefix
ignore = [] # list of files to ignore [do not store in DB]. Files in this list should NOT include 'output/' prefix

print 'Erraser analyze script, running with args:', json.dumps(args, sort_keys=True, indent=2)
print 'input options:', json.dumps(input_, sort_keys=True, indent=2)


def execute(message, commandline, return_=False):
    print message
    print commandline
    (res, output) = commands.getstatusoutput(commandline)
    print output
    if return_ == 'tuple': return(res, output)
    if res:
        print "\nEncounter error while executing: ", commandline
        if return_: return True,
        else: sys.exit(1)

    return False

#Run ERRASER
os.chdir('output')

if input_['protocol_variant'] == 'erraser_standard':
    status1, output1 = execute('Running ERRASER script...',
                          '%(erraser_root)s/ErraserStandard-Run.sh -pdb ./../input/model.pdb -map ./../input/density_map.ccp4 -map_reso %(map_resolution)s -fixed_res %(fixed_residues)s ' % dict(args.items() + input_.items()),
                               return_ = 'tuple')

    #Analyze
    status2, output2 = execute('Running ERRASER Analyze script...',
                          '%(erraser_root)s/ErraserStandard-Analyze.sh ./../input/model.pdb ./model_erraser.pdb' % dict(args.items() + input_.items()),
                               return_ = 'tuple')
    out_analyze = open('erraser_analyze.out', 'w')
    for line in output2 :
        out_analyze.write(line)
    os.chdir('../')
    #############################
    if status1 :
        essential.append('model_erraser.pdb')
    if status2 :
        essential.append('erraser_analyze.out')

    output = dict(status=status1, essential=essential, ignore=ignore)

else:  # erraser_single_residue
    status1, output1 = execute('Running ERRASER Single-res script...',
                          '%(erraser_root)s/ErraserSingleResidue-Run.sh -pdb ./../input/model.pdb -map ./../input/density_map.ccp4 -map_reso %(map_resolution)s -rebuild_res %(rebuild_residue)s ' % dict(args.items() + input_.items()),
                               return_ = 'tuple')

    #Analyze
    status2, output2 = execute('Running Erraser Single-res Analyze script...',
                          '%(erraser_root)s/ErraserSingleResidue-Analyze.sh -prefix model -res %(rebuild_residue)s' % dict(args.items() + input_.items()),
                               return_ = 'tuple')
    os.chdir('../')
    #############################
    models = []
    if not status1 :
        essential.append('model_start_min.pdb')
        for i in xrange(0,9) :
            if os.path.exists('./output/model_%d.pdb' % i) :
                models.append('model_%d.pdb' % i)
                essential.append('model_%d.pdb' % i)
    if not status2 :
        essential.append('erraser_single_res.analysis')
    # Create a single archive for all models
    execute("Archive the models", "cd output && tar -cvzf final_models.tgz *.pdb erraser_single_res.analysis", return_='tuple')
    #essential.append('final_models.tgz')

    output = dict(status=status1, essential=essential, models=models, ignore=ignore)

json.dump(output, file('output.json', 'w') )