Split TopologyInformation into its own header
authorMark Abraham <mark.j.abraham@gmail.com>
Wed, 20 Jun 2018 07:38:40 +0000 (09:38 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 11 Jul 2018 17:08:21 +0000 (19:08 +0200)
commit34be89f1264fd0b19c27b72160371d944257a2c7
tree1de3449a5224b38d22626f6349bc84aa4c148614
parent96f8484caa2d07d238d7f8ce12147ab8e7bff8c5
Split TopologyInformation into its own header

This will help provide a useful upgrade path for tools to get away
from t_topology, and eventually into the new framework.

Introduced a builder function to fill TopologyInformation from a tpr
file, which will be needed shortly for porting old tools.

Refs #1862

Change-Id: If2594cdcd3f9817ff83e7fb73208cdb5c497bb1a
13 files changed:
src/gromacs/trajectoryanalysis/CMakeLists.txt
src/gromacs/trajectoryanalysis/analysissettings.cpp
src/gromacs/trajectoryanalysis/analysissettings.h
src/gromacs/trajectoryanalysis/cmdlinerunner.cpp
src/gromacs/trajectoryanalysis/modules/freevolume.cpp
src/gromacs/trajectoryanalysis/modules/pairdist.cpp
src/gromacs/trajectoryanalysis/modules/rdf.cpp
src/gromacs/trajectoryanalysis/modules/sasa.cpp
src/gromacs/trajectoryanalysis/modules/select.cpp
src/gromacs/trajectoryanalysis/runnercommon.cpp
src/gromacs/trajectoryanalysis/tests/cmdlinerunner.cpp
src/gromacs/trajectoryanalysis/topologyinformation.cpp [new file with mode: 0644]
src/gromacs/trajectoryanalysis/topologyinformation.h [new file with mode: 0644]