Rewrote analysisdata histograms and added tests.
authorTeemu Murtola <teemu.murtola@cbr.su.se>
Sat, 12 Nov 2011 13:02:58 +0000 (15:02 +0200)
committerTeemu Murtola <teemu.murtola@gmail.com>
Tue, 21 Feb 2012 20:03:33 +0000 (22:03 +0200)
commit9250148598f4e26dbfc1ba1431682abb502a45db
tree8b41a242b2b55f7aec18e7def108a8ca084df5da
parent9af5fe15d93bff967cf46f1ff541221b3d4a1eb4
Rewrote analysisdata histograms and added tests.

There were a few bugs and some usability issues with the histogram
implementation in the analysisdata module. Fixing those resulted in a
rewrite of most of the code, but only a few changes outside the module.

Also added unit tests for the histogram modules. This required slight
improvements to the handling of multipoint data in the analysisdata test
framework.

Will add a few more tests for the AbstractAverageHistogram class in a
separate commit, as this requires some additional changes in the test
framework, and this commit is already quite large.

Part of issue #823.

Change-Id: I81b37ce437262e3aabc48c08b0f4faf5e6738545
19 files changed:
src/gromacs/analysisdata/arraydata.cpp
src/gromacs/analysisdata/arraydata.h
src/gromacs/analysisdata/modules/average.cpp
src/gromacs/analysisdata/modules/displacement-impl.h
src/gromacs/analysisdata/modules/displacement.cpp
src/gromacs/analysisdata/modules/histogram-impl.h [new file with mode: 0644]
src/gromacs/analysisdata/modules/histogram.cpp
src/gromacs/analysisdata/modules/histogram.h
src/gromacs/analysisdata/tests/CMakeLists.txt
src/gromacs/analysisdata/tests/datatest.cpp
src/gromacs/analysisdata/tests/histogram.cpp [new file with mode: 0644]
src/gromacs/analysisdata/tests/mock_module-impl.h
src/gromacs/analysisdata/tests/mock_module.cpp
src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectly.xml [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectlyWithAll.xml [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectly.xml [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectlyWithAll.xml [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectly.xml [new file with mode: 0644]
src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectlyWithAll.xml [new file with mode: 0644]