Clean-up selection poscalc implementation.
authorTeemu Murtola <teemu.murtola@gmail.com>
Wed, 4 Apr 2012 16:10:05 +0000 (19:10 +0300)
committerTeemu Murtola <teemu.murtola@gmail.com>
Tue, 10 Apr 2012 19:32:21 +0000 (22:32 +0300)
commit16f6aef1fd69c226494dae9c92a08410727015d5
treeac50feeb3bac3168d659b3ffd9e52ed8e1fa614c
parent881a24c2104b1f6c6a112485d054dbcdbefd8a64
Clean-up selection poscalc implementation.

- Replace gmx_ana_poscalc_coll_t and related functions with a C++ class.
  This resolves a few exception-related TODOs, and makes the C++ code
  somewhat cleaner.
- Replace gmx_ana_poscalc_get_type_enum() with a static array, as the
  current uses no longer need to modify the returned array.
- Remove possibility to provide an external position calculation
  collection for selections; it was not used, and the code is simpler
  without.
- Updated Doxygen comments.

Related to #867; it's easier to document the code when it behaves
better.

Change-Id: Ia8d5ba4ad22272b14bdcd521793636892821b140
13 files changed:
src/gromacs/selection/compiler.cpp
src/gromacs/selection/parsetree.cpp
src/gromacs/selection/poscalc.cpp
src/gromacs/selection/poscalc.h
src/gromacs/selection/selectioncollection-impl.h
src/gromacs/selection/selectioncollection.cpp
src/gromacs/selection/selectioncollection.h
src/gromacs/selection/selmethod.h
src/gromacs/selection/sm_position.cpp
src/gromacs/selection/symrec.cpp
src/gromacs/selection/tests/selectioncollection.cpp
src/gromacs/selection/tests/selectionoption.cpp
src/gromacs/trajectoryanalysis/cmdlinerunner.cpp