#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2019, by the GROMACS development team, led by
+# Copyright (c) 2019,2021, by the GROMACS development team, led by
# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
# and including many others, as listed in the AUTHORS file in the
# top-level source directory and at http://www.gromacs.org.
import os
-import gmxapi._gmxapi as _gmxapi
from gmxapi import exceptions
return "{}('{}', '{}')".format(self.__class__.__name__, self.filename, self.mode)
def __enter__(self):
+ import gmxapi._gmxapi as _gmxapi
self._tprFileHandle = _gmxapi.read_tprfile(self.filename)
return self
Returns:
TBD : possibly a completion condition of some sort and/or handle to the new File
"""
+ import gmxapi._gmxapi as _gmxapi
# TODO: (Data model) Decide how to find output data sources.
if not hasattr(input, 'parameters'):