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(parent: 568afe3) | patch
Add selection-enabled gmx traj
authorTeemu Murtola <teemu.murtola@gmail.com>
Sat, 4 Jun 2016 18:09:22 +0000 (21:09 +0300)
committerTeemu Murtola <teemu.murtola@gmail.com>
Sun, 6 Nov 2016 04:43:33 +0000 (05:43 +0100)
commit60f1bdb27263b159992aa602c187bfeaefe01e12
tree1a946088ba45374ef961ad9e4f132fce2661b72ctree | snapshot
parent568afe31bc91f8b36909d385ffcae7ffd29fa9efcommit | diff
Add selection-enabled gmx traj

For now, this tool only plots coordinates, velocities, and forces for
selections, so it should provide a full replacement for -ox, -ov, -of,
-com, and -mol from gmx traj.

Clean up implementation in other tools noticed while touching them.

Change-Id: Ia3b0e77353d9183ffc049d1e1fb0253e30332664
17 files changed:
docs/user-guide/cmdline.rst diff | blob | history
src/gromacs/analysisdata/analysisdata.cpp diff | blob | history
src/gromacs/analysisdata/analysisdata.h diff | blob | history
src/gromacs/analysisdata/modules/plot.cpp diff | blob | history
src/gromacs/gmxana/gmx_traj.cpp diff | blob | history
src/gromacs/trajectoryanalysis/modules.cpp diff | blob | history
src/gromacs/trajectoryanalysis/modules/distance.cpp diff | blob | history
src/gromacs/trajectoryanalysis/modules/select.cpp diff | blob | history
src/gromacs/trajectoryanalysis/modules/trajectory.cpp [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/modules/trajectory.h [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/CMakeLists.txt diff | blob | history
src/gromacs/trajectoryanalysis/tests/refdata/DistanceModuleTest_HandlesDynamicSelections.xml diff | blob | history
src/gromacs/trajectoryanalysis/tests/refdata/TrajectoryModuleTest_BasicTest.xml [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/refdata/TrajectoryModuleTest_HandlesNoForces.xml [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/refdata/TrajectoryModuleTest_HandlesNoVelocities.xml [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/refdata/TrajectoryModuleTest_PlotsXOnly.xml [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/trajectory.cpp [new file with mode: 0644] blob
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