#!/usr/bin/env python
# coding: utf-8
from matador.scrapers import qe_scrapers
from matador.export import doc2res
from matador.utils.cell_utils import cart2abc, doc2spg
from spglib import get_spacegroup
from matador.utils.print_utils import print_notify, print_success, print_failure
from sys import argv

fnames = argv[1:]
for fname in fnames:
    print_notify('Reading ' + fname)
    pw_dict, success = qe_scrapers.pwout2dict(fname)
    pw_dict['lattice_abc'] = cart2abc(pw_dict['lattice_cart'])
    pw_dict['space_group'] = get_spacegroup(doc2spg(pw_dict)).split()[0]
    print(pw_dict['space_group'].split()[0])
    pw_dict['num_atoms'] = len(pw_dict['atom_types'])
    ext = '.' + fname.split('.')[-1]
    if success:
        doc2res(pw_dict, fname.replace(ext, ''), hash_dupe=True, info=False)
        print_success('Wrote .res file to ' + fname.replace(ext, '') + '.res')
    else:
        print_failure('Unable to find final structure in ' + fname + '.')
print_success('Completed!')
