#!/usr/bin/env python3
"""
convert output of GAMESS/GAU$$IAN to ezfio

Usage:
    qp_convert_output_to_ezfio [-o EZFIO_DIR] FILE

Options:
    -o --output=EZFIO_DIR    Produced directory
                             by default is FILE.ezfio

"""

import sys
import os
import tempfile
from docopt import docopt

try:
    QP_ROOT = os.environ["QP_ROOT"]
    QP_EZFIO = os.environ["QP_EZFIO"]
except KeyError:
    print("Error: QP_ROOT environment variable not found.")
    sys.exit(1)
else:
    sys.path = [QP_EZFIO + "/Python",
                QP_ROOT + "/install/resultsFile",
                QP_ROOT + "/install",
                QP_ROOT + "/scripts"] + sys.path

from ezfio import ezfio
from qp_import_trexio import write_ezfio

try:
    from trexio_tools import trexio_run
except:
    print("Error: trexio-tools python package is not installed.")
    print("Use   pip install trexio-tools   to install it.")
    sys.exit(1)


def get_full_path(file_path):
    file_path = os.path.expanduser(file_path)
    file_path = os.path.expandvars(file_path)
    return file_path

class NoneDict(dict):
    def __missing__(self, key):
        return None

def main(FILE,EZFIO_FILE):
    with tempfile.NamedTemporaryFile(mode='w+b', delete=True, errors=None) as f:
        trexio_file = f.name

    args = NoneDict()
    args["convert-from"] = True
    args["--input"] = FILE
    args["--back_end"] = "hdf5"
    args["--type"] = "gaussian"
    args["TREXIO_FILE"] = trexio_file

    trexio_run.main(filename=trexio_file, args=args)
    write_ezfio(trexio_file, EZFIO_FILE)
    trexio_run.remove_trexio_file(trexio_file, overwrite=True)


if __name__ == '__main__':
    ARGUMENTS = docopt(__doc__)

    FILE = get_full_path(ARGUMENTS['FILE'])

    if ARGUMENTS["--output"]:
        EZFIO_FILE = get_full_path(ARGUMENTS["--output"])
    else:
        EZFIO_FILE = "{0}.ezfio".format(FILE)

    main (FILE,EZFIO_FILE)