# -*- coding: utf-8 -*-
# Copyright (c) 2020, the cclib development team
#
# This file is part of cclib (http://cclib.github.io) and is distributed under
# the terms of the BSD 3-Clause License.
# It is modified to be used as part of aiida-orca package.
"""Tools for identifying, reading and writing files and streams."""
from . import orcaparser
[docs]def ccread(source):
"""Attempt to open and read computational chemistry data from a file.
If the file is not appropriate for cclib parsers, a fallback mechanism
will try to recognize some common chemistry formats and read those using
the appropriate bridge such as Open Babel.
Inputs:
source - a single logfile, a list of logfiles (for a single job),
an input stream, or an URL pointing to a log file.
*args, **kwargs - arguments and keyword arguments passed to ccopen
Returns:
a ccData object containing cclib data attributes
"""
log = orcaparser.ORCA(source)
return log.parse()