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(parent: 2045d9e) | patch
Add tests for gmx mindist
authorKevin Boyd <kevin.boyd@uconn.edu>
Tue, 15 Jan 2019 02:18:49 +0000 (21:18 -0500)
committerChristian Blau <cblau@gwdg.de>
Fri, 18 Jan 2019 10:37:44 +0000 (11:37 +0100)
commit2f9e9799983deb0ae36980e2eb82cb260f08458a
treeaf5bd9191aed8eb3e4fc4b87af6970d39e47f39etree | snapshot
parent2045d9e0fab4c67b296c374391969c7a657b76e7commit | diff
Add tests for gmx mindist

Freed up some memory in gmx_mindist

Changed some static variables to normal variables, as
their values were propagating between tests and messing
with the options

Change-Id: Ideb0341659ad2d8a66769e671e1fafadd6ea8d02
15 files changed:
src/gromacs/gmxana/gmx_mindist.cpp diff | blob | history
src/gromacs/gmxana/tests/CMakeLists.txt diff | blob | history
src/gromacs/gmxana/tests/gmx_mindist.cpp [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_groupWorks.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_matrixWorks.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_maxDistWorks.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_mindistDoesNotPickUpContacts.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_mindistPicksUpContacts.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_mindistWorksWithMultipleAtoms.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_mindistWorksWithSingleAtoms.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_ngWorks.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_noPbcWorks.xml [new file with mode: 0644] blob
src/gromacs/gmxana/tests/refdata/MindistTest_resPerTimeWorks.xml [new file with mode: 0644] blob
src/testutils/simulationdatabase/mindist.ndx [new file with mode: 0644] blob
src/testutils/simulationdatabase/mindist_coords.gro [new file with mode: 0644] blob
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