#
# ChangeLog for tests/regression/Analysis
#
# Generated by Trac 1.4.4
# Mar 21, 2025, 4:30:53 PM

Wed, 02 Mar 2011 21:53:08 GMT Frederik Heber <heber@…> [49c059]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.cpp (added)
	* src/Graph/DepthFirstSearchAnalysis.hpp (added)
	* src/Graph/Makefile.am (modified)
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* tests/Fragmentations/defs.in (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Molecules/MoleculeById/post/id4_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/water_id4.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at (modified)

	Moved DepthFirstSearchAnalysis into functor in Graph/.

	Smaller ...


Fri, 04 Feb 2011 19:11:51 GMT Frederik Heber <heber@…> [b9bfa6]
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-Empty/testsuite-analysis-angular-dipole-correlation-empty.at (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/Atoms/AllAtoms/post/allatoms.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtoms/post/id0_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtoms/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at (moved)
	* tests/regression/Selection/Atoms/AtomByElement/post/test-Be_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/post/test-H_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/post/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at (moved)
	* tests/regression/Selection/Atoms/AtomById/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id0_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id0_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id1_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id1_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id2_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id2_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id3_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id3_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id4_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id4_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id5_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id5_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id6_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id6_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id7_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id7_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/pre/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/allatomsinsidecuboid.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/box.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/allatomsinsidesphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/allatomsoutsidesphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/inversesphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/sphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at (moved)
	* tests/regression/Selection/Atoms/ClearAtoms/post/id0_missing.xyz (moved)
	* tests/regression/Selection/Atoms/ClearAtoms/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at (moved)
	* tests/regression/Selection/Molecules/AllMolecules/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/AllMolecules/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/AllMolecules/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-all-molecules.at (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/benzene.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/benzene_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/ethanol.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/ethanol_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/mix.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/water.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/water_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/pre/mix.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-molecules-by-formula.at (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/id5_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/water_id5.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/post/water.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/pre/test.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/water.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/water_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-atoms-molecules.at (moved)
	* tests/regression/Selection/testsuite-selection.at (modified)

	Changed regression testsuite structure of Selection/Atoms and ...


Fri, 04 Feb 2011 19:11:51 GMT Frederik Heber <heber@…> [967b3c]
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.def (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Molecules/BondFile/pre/test.conf (moved)
	* tests/regression/Molecules/BondFile/pre/test.dbond (moved)
	* tests/regression/Molecules/BondFile/testsuite-molecules-bond-file.at (added)
	* tests/regression/Molecules/Copy/post/test-copy.xyz (moved)
	* tests/regression/Molecules/Copy/pre/test.xyz (moved)
	* tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (added)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/post/test.conf (moved)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/pre/test.conf (moved)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at (added)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at (added)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/pre/test.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at (added)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (added)
	* tests/regression/Molecules/SaveAdjacency/post/test.adj (moved)
	* tests/regression/Molecules/SaveAdjacency/pre/test.conf (moved)
	* tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (added)
	* tests/regression/Molecules/SaveBonds/post/test.dbond (moved)
	* tests/regression/Molecules/SaveBonds/pre/test.conf (added)
	* tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (added)
	* tests/regression/Molecules/SaveTemperature/post/test.ekin (moved)
	* tests/regression/Molecules/SaveTemperature/pre/test.conf (moved)
	* tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (added)
	* tests/regression/Molecules/Translation-Periodic/post/test.conf (moved)
	* tests/regression/Molecules/Translation-Periodic/pre/test.conf (moved)
	* tests/regression/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (added)
	* tests/regression/Molecules/Translation/post/test.conf (moved)
	* tests/regression/Molecules/Translation/post/test2.conf (moved)
	* tests/regression/Molecules/Translation/pre/test.conf (moved)
	* tests/regression/Molecules/Translation/pre/test2.conf (moved)
	* tests/regression/Molecules/Translation/testsuite-molecules-translation.at (added)
	* tests/regression/Molecules/VerletIntegration/pre/test.conf (moved)
	* tests/regression/Molecules/VerletIntegration/pre/test.forces (moved)
	* tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (added)
	* tests/regression/Molecules/testsuite-molecules.at (added)
	* tests/regression/testsuite-molecules.at (deleted)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Molecules.

	- all numbered ...


Fri, 04 Feb 2011 18:57:41 GMT Frederik Heber <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 <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 <heber@…> [b25fa3]
	* tests/regression/Analysis/7/post/waterbox-mirrored_histogram.dat (added)
	* tests/regression/Analysis/7/post/waterbox_histogram.dat (added)
	* tests/regression/Analysis/7/pre/water.xyz (added)
	* tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (modified)

	Added Angular Dipole Correlation - Discrete angles test suite part.
 ...


Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber <heber@…> [92e5cb]
	* src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* tests/regression/Analysis/1/post/bin_output.csv (modified)
	* tests/regression/Analysis/1/post/output.csv (modified)
	* tests/regression/Analysis/2/post/bin_output-10.csv (modified)
	* tests/regression/Analysis/2/post/bin_output-20.csv (modified)
	* tests/regression/Analysis/2/post/bin_output-5.csv (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (modified)
	* tests/regression/Analysis/4/post/bin_output.csv (modified)
	* tests/regression/Analysis/6/post/emptybox_histogram.dat (modified)
	* tests/regression/Analysis/6/post/hydrogenbox_histogram.dat (modified)

	Refactored Output..Correlation...() code into a single templated one. ...


Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber <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 ...


Wed, 09 Jun 2010 15:08:46 GMT Frederik Heber <heber@…> [58bbd3]
	* src/Actions/MapOfActions.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/builder.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Cases 'C' are now handled by CommandLineUI.

	- TESTFIX: ...


Wed, 02 Jun 2010 08:37:17 GMT Frederik Heber <heber@…> [98a8b4]
	* tests/regression/Analysis/1/post/bin_output.csv (modified)
	* tests/regression/Analysis/2/post/bin_output-10.csv (modified)
	* tests/regression/Analysis/2/post/bin_output-20.csv (modified)
	* tests/regression/Analysis/2/post/bin_output-5.csv (modified)
	* tests/regression/testsuite-analysis.at (modified)

	TESTFIX: Analysis/... no more diff of output.csv (nameing dependent)
 ...


Sun, 30 May 2010 18:28:14 GMT Frederik Heber <heber@…> [d6d6c1]
	* tests/regression/Analysis/5/pre/test.conf (added)
	* tests/regression/Molecules/8/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-m' (principal axis system) to testsuite.


Sun, 30 May 2010 13:58:31 GMT Frederik Heber <heber@…> [ef2b39]
	* tests/regression/Analysis/4/post/bin_output.csv (added)
	* tests/regression/Analysis/4/post/output.csv (added)
	* tests/regression/Analysis/4/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C S' (correlation to surface) to testsuite.

	- created ...


Sun, 30 May 2010 13:42:26 GMT Frederik Heber <heber@…> [08f6ff]
	* src/builder.cpp (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (added)
	* tests/regression/Analysis/3/post/output.csv (added)
	* tests/regression/Analysis/3/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C P' (correlation to point) to testsuite.

	- DOCUFIX: ...


Sun, 30 May 2010 13:41:37 GMT Frederik Heber <heber@…> [06f8ee]
	* src/builder.cpp (modified)
	* tests/regression/Analysis/1/post/bin_output.csv (added)
	* tests/regression/Analysis/1/post/output.csv (added)
	* tests/regression/Analysis/1/pre/test.conf (added)
	* tests/regression/Analysis/2/post/bin_output-10.csv (added)
	* tests/regression/Analysis/2/post/bin_output-20.csv (added)
	* tests/regression/Analysis/2/post/bin_output-5.csv (added)
	* tests/regression/Analysis/2/post/output-10.csv (added)
	* tests/regression/Analysis/2/post/output-20.csv (added)
	* tests/regression/Analysis/2/post/output-5.csv (added)
	* tests/regression/Analysis/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C E' (pair correlation analysis) to testsuite.

	- ...