Wrap sel. method evaluation parameters to struct
commit3257f555c37dc0d2708f89d3d71411b961de7aab
authorTeemu Murtola <teemu.murtola@gmail.com>
Fri, 17 Jun 2016 05:49:40 +0000 (17 08:49 +0300)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 12 Oct 2016 19:47:29 +0000 (12 21:47 +0200)
tree692765c8fbf50948297de0d4cf1626f87c076c3b
parent9ec08c5e5dc0c17d38dba004d8adf1de9488853b
Wrap sel. method evaluation parameters to struct

This removes about 1/3 of t_topology instances in the selection code,
reducing the number of lines that need to be changed when switching to
gmx_mtop_t.

Also make most of the contents const.

Related to #1862.

Change-Id: Idcd71bc578a6daa4644f049a31f84e74717c258a
15 files changed:
src/gromacs/selection/centerofmass.cpp
src/gromacs/selection/centerofmass.h
src/gromacs/selection/evaluate.cpp
src/gromacs/selection/poscalc.cpp
src/gromacs/selection/poscalc.h
src/gromacs/selection/selmethod.h
src/gromacs/selection/sm_compare.cpp
src/gromacs/selection/sm_distance.cpp
src/gromacs/selection/sm_insolidangle.cpp
src/gromacs/selection/sm_keywords.cpp
src/gromacs/selection/sm_merge.cpp
src/gromacs/selection/sm_permute.cpp
src/gromacs/selection/sm_position.cpp
src/gromacs/selection/sm_same.cpp
src/gromacs/selection/sm_simple.cpp