#!/usr/bin/env python
# coding: utf-8
from matador.scrapers import castep_scrapers
from matador.export import doc2res
from matador.utils.cell_utils import cart2abc
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)
    cell_dict, success = castep_scrapers.cell2dict(fname, db=False, outcell=True, positions=True)
    cell_dict['lattice_abc'] = cart2abc(cell_dict['lattice_cart'])
    cell_dict['num_atoms'] = len(cell_dict['atom_types'])
    if success:
        doc2res(cell_dict, fname.replace('.cell', ''), hash_dupe=True, info=False, spoof_titl=True)
        print_success('Wrote .res file to ' + fname.replace('.cell', '') + '.res')
    else:
        print_failure('Unable to find final structure in ' + fname + '.')
print_success('Completed!')
