Clean up constraints code
authorMark Abraham <mark.j.abraham@gmail.com>
Wed, 28 Feb 2018 18:08:14 +0000 (19:08 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 13 Apr 2018 09:58:32 +0000 (11:58 +0200)
commit15c96888c3fb03b836a39decf324675622f7dd4c
treef8cdfaa0a5cb2e7cc5e2b2dcb2c8a9e3bf6dd994
parentb4cab42aaa24d430ab5efee6f58adc665d7a9edd
Clean up constraints code

Moved constraint code into gmx namespace.

Used more forward declarations in both the old and new headers.

Removed typedef from type declarations.

Removed gmx_ prefix from some names, since it is no longer required
and we may as well avoid verbiage.

Renamed some types more consistently with newer coding styles, and
called them class now where they will be one shortly.

Added some const correctness.

Apparently this inspires uncrustify to change positions of some
comments. Go figure.

Replaced all gmx_bool in constraints code with bool.

Maths functions from vec.h (which are not in the top-level namespace)
now need namespace qualifications.

Added and fixed various Doxygen, which is primitive in some cases
where the code was particularly cryptic.

Noted policy on multiple authors within Doxygen comments.

Refs #2423

Change-Id: I41bf3a4b9a4fbbcb3a3a7a27dc922d563abedbcb
34 files changed:
docs/dev-manual/doxygen.rst
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec.h
src/gromacs/domdec/domdec_constraints.cpp
src/gromacs/domdec/domdec_constraints.h
src/gromacs/essentialdynamics/edsam.cpp
src/gromacs/essentialdynamics/edsam.h
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/constr.h
src/gromacs/mdlib/constraintrange.cpp
src/gromacs/mdlib/constraintrange.h
src/gromacs/mdlib/lincs.cpp
src/gromacs/mdlib/lincs.h
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/md_support.h
src/gromacs/mdlib/mdebin.cpp
src/gromacs/mdlib/mdebin.h
src/gromacs/mdlib/settle.cpp
src/gromacs/mdlib/settle.h
src/gromacs/mdlib/shake.cpp
src/gromacs/mdlib/shake.h
src/gromacs/mdlib/shellfc.cpp
src/gromacs/mdlib/shellfc.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/sim_util.h
src/gromacs/mdlib/stat.cpp
src/gromacs/mdlib/tests/settle.cpp
src/gromacs/mdlib/tests/shake.cpp
src/gromacs/mdlib/update.cpp
src/gromacs/mdlib/update.h
src/gromacs/mdrun/integrator.h
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/runner.cpp