Make ImdSession into a Pimpl-ed class with factory function
authorMark Abraham <mark.j.abraham@gmail.com>
Sun, 31 Mar 2019 12:29:20 +0000 (14:29 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 10 Apr 2019 05:39:05 +0000 (07:39 +0200)
commitdfd44cd0513cf12e0cd666ec48b5bdd20f65e497
tree6a233fa000dfb2a6b11ecc3d03dcb39a96a89db4
parentcfe50e5107e0e5900e09cb5a14e1217c39d5b03a
Make ImdSession into a Pimpl-ed class with factory function

This prepares to make IMD into a proper module. No
functionality changes in this commit.

Replaced gmx_bool with bool

Used fast returns when IMD is inactive, for better
readability of code.

Refs #2877

Change-Id: Ibbe8c452f6f480e9a357fe1b87da3ab0ae166317
15 files changed:
src/gromacs/domdec/partition.cpp
src/gromacs/domdec/partition.h
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/imd/imd.cpp
src/gromacs/imd/imd.h
src/gromacs/imd/imdsocket.cpp
src/gromacs/imd/imdsocket.h
src/gromacs/mdlib/force.h
src/gromacs/mdlib/shellfc.cpp
src/gromacs/mdlib/shellfc.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/integrator.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/runner.cpp