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(parent: c406c64) | patch
Added tests for gmx clustsize.
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Tue, 7 Mar 2017 18:39:25 +0000 (19:39 +0100)
committerDavid van der Spoel <davidvanderspoel@gmail.com>
Sun, 12 Mar 2017 09:11:00 +0000 (10:11 +0100)
commitf4dd51d87148916a95e7e2e1eb4f04933a324025
tree1e4357e0f123e1e983e34dd7f8aaf5c62060535ctree | snapshot
parentc406c64537a424ab6664226599cfb87f6c03fc71commit | diff
Added tests for gmx clustsize.

Some bone headed stuff to allow development of a new
version later. Unfortunately this now touches code
outside the analysis tool due to memory leaks that have to be
fixed.

Part of #2132

Change-Id: I32558e3a7cd7448954cf093208c15ce7014942ff
17 files changed:
src/gromacs/fileio/trxio.cpp diff | blob | history
src/gromacs/fileio/trxio.h diff | blob | history
src/gromacs/gmxana/gmx_clustsize.cpp diff | blob | history
src/gromacs/topology/index.cpp diff | blob | history
src/gromacs/trajectory/trajectoryframe.cpp diff | blob | history
src/gromacs/trajectory/trajectoryframe.h diff | blob | history
src/gromacs/trajectoryanalysis/tests/CMakeLists.txt diff | blob | history
src/gromacs/trajectoryanalysis/tests/clustsize.cpp [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/clustsize.ndx [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/clustsize.pdb [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/clustsize.tpr [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/refdata/ClustsizeTest_MolDefaultCutoff.xml [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/refdata/ClustsizeTest_MolShortCutoff.xml [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/refdata/ClustsizeTest_NoMolDefaultCutoff.xml [new file with mode: 0644] blob
src/gromacs/trajectoryanalysis/tests/refdata/ClustsizeTest_NoMolShortCutoff.xml [new file with mode: 0644] blob
src/testutils/cmdlinetest.cpp diff | blob | history
src/testutils/cmdlinetest.h diff | blob | history
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