# # ChangeLog for tests/regression/Analysis/testsuite-analysis.at # # Generated by Trac 1.4.4 # Mar 30, 2025, 10:50:16 PM Wed, 22 Feb 2012 11:29:04 GMT Frederik Heber [a8ae6d] * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_X.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0000.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0001.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0002.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0003.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0004.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0005.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0006.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0007.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0008.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0009.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0010.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0011.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0012.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0013.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0014.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0015.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0016.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0017.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0018.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0019.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0020.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0021.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0022.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0023.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0024.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0025.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0026.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0027.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0028.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0029.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0030.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0031.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0032.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0033.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0034.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.0035.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_X.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0000.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0001.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0002.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0003.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0004.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0005.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0006.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0007.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0008.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0009.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0010.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0011.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0012.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0013.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0014.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0015.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0016.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0017.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0018.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0019.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0020.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0021.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0022.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0023.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0024.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0025.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0026.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0027.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0028.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0029.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0030.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0031.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0032.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0033.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0034.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.0035.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_X.pdb (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_X.xyz (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_Y.pdb (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_Y.xyz (added) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/testsuite-analysis-dipole-angular-correlation-periodic-boundaries.at (added) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_X.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0000.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0001.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0002.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0003.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0004.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0005.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0006.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0007.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0008.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0009.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0010.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0011.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0012.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0013.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0014.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0015.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0016.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0017.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0018.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0019.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0020.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0021.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0022.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0023.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0024.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0025.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0026.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0027.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0028.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0029.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0030.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0031.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0032.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0033.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0034.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_values_Y.0035.dat (modified) * tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_X.pdb (modified) * tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_X.xyz (modified) * tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_Y.pdb (modified) * tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_Y.xyz (modified) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) TESTFIX: Separated regression test Analysis/DipoleAngularCorrelation. ... Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber [f89b45] * src/Actions/AnalysisAction/CalculateBoundingBoxAction.cpp (added) * src/Actions/AnalysisAction/CalculateBoundingBoxAction.def (added) * src/Actions/AnalysisAction/CalculateBoundingBoxAction.hpp (added) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/pyMoleCuilder.cpp (modified) * tests/regression/Analysis/CalculateBoundingBox/testsuite-analysis-calculate-bounding-box.at (added) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) * tests/regression/Python/AllActions/listcmds.py (added) * tests/regression/Python/AllActions/moltest.py (modified) * tests/regression/Python/AllActions/options.dat (modified) * tests/regression/Python/AllActions/testsuite-python-allactions.at (modified) Added Reaction CalculateBoundingBoxAction. - calculate bounding box ... Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber [55f299] * src/Actions/AnalysisAction/CalculateMolarMassAction.cpp (added) * src/Actions/AnalysisAction/CalculateMolarMassAction.def (added) * src/Actions/AnalysisAction/CalculateMolarMassAction.hpp (added) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * tests/regression/Analysis/CalculateMolarMass/pre/argon.xyz (added) * tests/regression/Analysis/CalculateMolarMass/pre/water.xyz (added) * tests/regression/Analysis/CalculateMolarMass/testsuite-analysis-calculate-molar-mass.at (added) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) * tests/regression/Python/AllActions/options.dat (modified) Added Reaction CalculateMolarMassAction. - calculate molar mass ... Mon, 07 Nov 2011 12:24:07 GMT Frederik Heber [54088a] * src/Actions/AnalysisAction/CalculateCellVolumeAction.cpp (modified) * src/Actions/AnalysisAction/CalculateCellVolumeAction.def (modified) * src/Actions/AnalysisAction/CalculateCellVolumeAction.hpp (modified) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * tests/regression/Analysis/CalculateCellVolume/testsuite-analysis-calculate-cell-volume.at (added) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) * tests/regression/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (added) * tests/regression/Python/testsuite-python.at (modified) Added first Reaction named CalculateCellVolumeAction. - this sets ... Tue, 25 Oct 2011 15:28:27 GMT Frederik Heber [4fc828] * src/Analysis/analysis_correlation.cpp (modified) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_X.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_Y.dat (added) * tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_X.pdb (added) * tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_Y.pdb (added) * tests/regression/Analysis/DipoleAngularCorrelation/testsuite-analysis-dipole-angular-correlation.at (added) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) DipoleAngularCorrelation working with multi-timestep PDBs with CONECT ... Tue, 25 Oct 2011 15:28:27 GMT Frederik Heber [df8759] * tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/post/waterbox-mirrored_histogram.dat (moved) * tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/post/waterbox_histogram.dat (moved) * tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/pre/water.xyz (moved) * tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/testsuite-analysis-dipole-correlation-discrete-angles.at (moved) * tests/regression/Analysis/DipoleCorrelation-Empty/post/emptybox_histogram.dat (moved) * tests/regression/Analysis/DipoleCorrelation-Empty/post/hydrogenbox_histogram.dat (moved) * tests/regression/Analysis/DipoleCorrelation-Empty/testsuite-analysis-dipole-correlation-empty.at (moved) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) Renamed test dirs Analysis/AngularDipoleCorrelation-... ... Fri, 04 Feb 2011 18:57:41 GMT Frederik Heber [ad28ef] * tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/post/waterbox-mirrored_histogram.dat (moved) * tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/post/waterbox_histogram.dat (moved) * tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/pre/water.xyz (moved) * tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (moved) * tests/regression/Analysis/AngularDipoleCorrelation-Empty/post/emptybox_histogram.dat (moved) * tests/regression/Analysis/AngularDipoleCorrelation-Empty/post/hydrogenbox_histogram.dat (moved) * tests/regression/Analysis/AngularDipoleCorrelation-Empty/testsuite-analysis-angular-dipole-correlation-empty.at (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/post/bin_output-10.csv (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/post/bin_output-20.csv (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/post/bin_output-5.csv (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/post/output-10.csv (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/post/output-20.csv (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/post/output-5.csv (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/pre/test.conf (moved) * tests/regression/Analysis/PairCorrelation-RangeTest/testsuite-analysis-pair-correlation-range-test.at (moved) * tests/regression/Analysis/PairCorrelation/post/bin_output.csv (moved) * tests/regression/Analysis/PairCorrelation/post/output.csv (moved) * tests/regression/Analysis/PairCorrelation/pre/test.conf (moved) * tests/regression/Analysis/PairCorrelation/testsuite-analysis-pair-correlation.at (added) * tests/regression/Analysis/PointCorrelation/post/bin_output.csv (moved) * tests/regression/Analysis/PointCorrelation/post/output.csv (moved) * tests/regression/Analysis/PointCorrelation/pre/test.conf (moved) * tests/regression/Analysis/PointCorrelation/testsuite-analysis-point-correlation.at (moved) * tests/regression/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at (modified) * tests/regression/Analysis/SurfaceCorrelation/post/bin_output.csv (moved) * tests/regression/Analysis/SurfaceCorrelation/post/output.csv (moved) * tests/regression/Analysis/SurfaceCorrelation/pre/test.conf (moved) * tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (moved) * tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-random-distribution.at (deleted) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) Changed regression testsuite structure of Analysis. - all numbered ... Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber [4782599] * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * tests/regression/Analysis/PrincipalAxisSystem/pre/water.xyz (moved) * tests/regression/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at (moved) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) * tests/regression/testsuite.at (modified) FIX: new regression test for PrincipalAxisSystemAction is prone to ... Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber [cd7a87] * tests/regression/Analysis/5/pre/test.conf (deleted) * tests/regression/Analysis/5/pre/water.xyz (added) * tests/regression/Analysis/6/post/emptybox_histogram.dat (added) * tests/regression/Analysis/6/post/hydrogenbox_histogram.dat (added) * tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (added) * tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-empty.at (added) * tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-random-distribution.at (added) * tests/regression/Analysis/testsuite-analysis-pair-correlation.at (added) * tests/regression/Analysis/testsuite-analysis-point-correlation.at (added) * tests/regression/Analysis/testsuite-analysis-principal-axis-system.at (added) * tests/regression/Analysis/testsuite-analysis-surface-correlation.at (added) * tests/regression/Analysis/testsuite-analysis.at (added) * tests/regression/Makefile.am (modified) * tests/regression/testsuite-analysis.at (deleted) * tests/regression/testsuite.at (modified) Refactored Analysis regression tests, added angular dipole ...