Make LocalTopologyChecker class and hide implementation details
authorMark Abraham <mark.j.abraham@gmail.com>
Tue, 1 Jun 2021 09:51:58 +0000 (11:51 +0200)
committerPascal Merz <pascal.merz@me.com>
Mon, 7 Jun 2021 18:13:46 +0000 (18:13 +0000)
commita272eaa06eef136f2153f60ec73904754f202490
tree59beb43d2e5134998095a9b584d8b6c7aaef578f
parent140eb6c6cc68bb0ab780912d7a184012cb2f3c98
Make LocalTopologyChecker class and hide implementation details

This allows capturing useful state that is only used when writing the
error output, without leaking dependencies for implementation details
to high-level code.

Some minor improvements to const correctness of the error output. Also
moved it into gmx namespace.

Minor improvement to include order

Removed unused forward declaration in domdec.h

Refs #3887
13 files changed:
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec.h
src/gromacs/domdec/domdec_struct.h
src/gromacs/domdec/localtopologychecker.cpp
src/gromacs/domdec/localtopologychecker.h
src/gromacs/domdec/partition.cpp
src/gromacs/mdlib/stat.cpp
src/gromacs/mdlib/update_vv.cpp
src/gromacs/mdlib/update_vv.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/modularsimulator/computeglobalselement.cpp