Check atom mass availability in selections
authorTeemu Murtola <teemu.murtola@gmail.com>
Wed, 15 Jun 2016 17:26:14 +0000 (20:26 +0300)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 11 Oct 2016 09:36:24 +0000 (11:36 +0200)
commitbbffb126ec5fa91657a19b9dace01f5fdcb940cc
treed20dc1e4400ef5c16e3bfc55c57a01c1819b9b70
parentaee855491496f831e60546031d74cb918b9e063a
Check atom mass availability in selections

Check for the availability of atom masses before using them in
selections, and give fatal errors early instead of asserts when
accessing the masses.  Try to load the masses on demand if not
available.

Change-Id: If288d2b3920b92c6994aee8b7ff96c85ce3f6cb8
15 files changed:
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/selectionenums.h
src/gromacs/selection/selectionoptionbehavior.cpp
src/gromacs/selection/selelem.cpp
src/gromacs/selection/selelem.h
src/gromacs/selection/selmethod.h
src/gromacs/selection/sm_position.cpp
src/gromacs/selection/sm_simple.cpp
src/gromacs/selection/tests/poscalc.cpp
src/gromacs/selection/tests/selectioncollection.cpp
src/gromacs/trajectoryanalysis/runnercommon.cpp