Provide a gmxapi.read_tpr operation.
commit1e3f1079217921cf085e17e63066f1421dd0ace6
authorM. Eric Irrgang <ericirrgang@gmail.com>
Mon, 9 Sep 2019 15:17:34 +0000 (9 18:17 +0300)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 11 Sep 2019 16:05:16 +0000 (11 18:05 +0200)
treeda6af4a7af52cc9fba79bca31acee88553a126df
parent8f1b2a87a75fedae157bc16c525136b069f8cefc
Provide a gmxapi.read_tpr operation.

Convert a simulation input file to a data flow stream that can be
consumed by other operations in gmxapi.simulation in a standard way.

Change-Id: Ic6339317956f248712a3038eab583fbca517ba16
python_packaging/src/gmxapi/__init__.py
python_packaging/src/gmxapi/simulation/__init__.py
python_packaging/src/gmxapi/simulation/read_tpr.py [new file with mode: 0644]
python_packaging/src/test/test_fileio.py
python_packaging/src/test/test_mdrun.py