Simpler required selection input from a file.
authorTeemu Murtola <teemu.murtola@gmail.com>
Fri, 18 May 2012 18:59:56 +0000 (21:59 +0300)
committerTeemu Murtola <teemu.murtola@gmail.com>
Fri, 18 May 2012 18:59:56 +0000 (21:59 +0300)
commit3db13af1e40718c6289903cd91c1a40b32291741
tree1a17e8c0e974e722622e85367ad5d6cbe23876ba
parent896cf4e4c27758e3371f66fa5552fe004613b02f
Simpler required selection input from a file.

Now a selection file option (-sf) assigns the contents of the file to
required selection option(s) that haven't yet been assigned if it has no
other context.  Main benefit is that a plain '-sf file.dat' (without any
other selection options specified) assigns the contents of file.dat to
required selections, similarly to how it worked in 4.5.

Resolves the main open issue for #656, error message and help
improvements remain.

Change-Id: I6311b548ab21ecf0f489f2743e2750411f86b3ff
src/gromacs/selection/selectionoption.cpp
src/gromacs/selection/selectionoptionmanager.cpp
src/gromacs/selection/selectionoptionmanager.h
src/gromacs/selection/selectionoptionstorage.h
src/gromacs/selection/tests/selectionoption.cpp