Lifetime statistics into gmx-select.
authorTeemu Murtola <teemu.murtola@gmail.com>
Sat, 17 Aug 2013 18:36:17 +0000 (21:36 +0300)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 21 Aug 2013 06:22:57 +0000 (08:22 +0200)
commita88fc8c72afe8f4df66e9b62f2b5ab62343b98d3
treeaead7a24fb34e82f2715d6714f4ad8dccd0d1be1
parentb91381931c9ff67c397b5f60ef342818079ef24c
Lifetime statistics into gmx-select.

This provides a lot more flexible alternative to g_dist -lt.

Added an analysisdata module that computes lifetime statistics and test
for it.  Currently tuned for this one application, but should be
possible to make more flexible if required.  Using this module, the
implementation in gmx-select is straightforward.

Part of #665.

Change-Id: I8bff89599c9d8a820c761b426c01ceafa9afcc5a
src/gromacs/analysisdata/modules/lifetime.cpp [new file with mode: 0644]
src/gromacs/analysisdata/modules/lifetime.h [new file with mode: 0644]
src/gromacs/analysisdata/tests/CMakeLists.txt
src/gromacs/analysisdata/tests/lifetime.cpp [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/LifetimeModuleTest_BasicTest.xml [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/LifetimeModuleTest_CumulativeTest.xml [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/LifetimeModuleTest_HandlesMultipleDataSets.xml [new file with mode: 0644]
src/gromacs/trajectoryanalysis/analysismodule.cpp
src/gromacs/trajectoryanalysis/modules/select.cpp
src/gromacs/trajectoryanalysis/modules/select.h
src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_BasicTest.xml