Add pdbname selection keyword.
authorTeemu Murtola <teemu.murtola@gmail.com>
Mon, 24 Sep 2012 04:48:01 +0000 (07:48 +0300)
committerTeemu Murtola <teemu.murtola@gmail.com>
Mon, 24 Sep 2012 15:47:56 +0000 (18:47 +0300)
commitccb2b41578c6b1beb359e250b9ec4e20fae87d39
tree00daf965961c0cd9ee12c0d83da8908a560d0bfc
parentd0cfeb482de40319e2fefab2f29b6d9272a9d81e
Add pdbname selection keyword.

As a supporting change, remove trailing space from t_pdbinfo.atomnm, as
the trailing whitespace does not seem to be used anywhere.
This makes it possible to use it easily in the selection code.

Fixes #1007 in master, will backport to 4.5 branch separately.

Change-Id: Iac36bda8a84d0a6c131445e7f47ad91d7209fb10
src/gromacs/gmxlib/pdbio.c
src/gromacs/legacyheaders/types/atoms.h
src/gromacs/selection/selhelp.cpp
src/gromacs/selection/selmethod.cpp
src/gromacs/selection/sm_simple.cpp
src/gromacs/selection/tests/refdata/SelectionCollectionDataTest_HandlesPdbAtomname.xml [new file with mode: 0644]
src/gromacs/selection/tests/selectioncollection.cpp
src/gromacs/selection/tests/simple.pdb