#
# ChangeLog for tests/regression/Domain
#
# Generated by Trac 1.4.4
# Jan 10, 2025, 3:41:22 PM

Tue, 20 Jul 2010 13:01:11 GMT Frederik Heber <heber@…> [be97a8]
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Box.cpp (added)
	* src/Box.hpp (added)
	* src/ConfigFileBuffer.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomSelectionDescriptor.cpp (added)
	* src/Descriptors/AtomSelectionDescriptor.hpp (added)
	* src/Descriptors/AtomSelectionDescriptor_impl.hpp (added)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor.cpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor.hpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (added)
	* src/Exceptions/CustomException.cpp (modified)
	* src/Exceptions/CustomException.hpp (modified)
	* src/Exceptions/NotInvertibleException.cpp (added)
	* src/Exceptions/NotInvertibleException.hpp (added)
	* src/Helpers/Assert.hpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Line.cpp (modified)
	* src/Line.hpp (modified)
	* src/Makefile.am (modified)
	* src/Matrix.cpp (added)
	* src/Matrix.hpp (added)
	* src/MatrixContent.hpp (added)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/ObservedContainer.hpp (added)
	* src/Patterns/ObservedContainer_impl.hpp (added)
	* src/Patterns/ObservedIterator.hpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Plane.hpp (modified)
	* src/Shapes/BaseShapes.cpp (added)
	* src/Shapes/BaseShapes.hpp (added)
	* src/Shapes/BaseShapes_impl.hpp (added)
	* src/Shapes/Shape.cpp (added)
	* src/Shapes/Shape.hpp (added)
	* src/Shapes/ShapeOps.cpp (added)
	* src/Shapes/ShapeOps.hpp (added)
	* src/Shapes/ShapeOps_impl.hpp (added)
	* src/Shapes/Shape_impl.hpp (added)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/QT4/QTDialog.cpp (modified)
	* src/UIElements/QT4/QTDialog.hpp (modified)
	* src/UIElements/QT4/QTMainWindow.cpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/VectorContent.hpp (added)
	* src/VectorSet.cpp (deleted)
	* src/VectorSet.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_graphnodeinfo.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/atom_trajectoryparticle.hpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/element.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/errorlogger.cpp (modified)
	* src/errorlogger.hpp (modified)
	* src/graph.cpp (modified)
	* src/graph.hpp (modified)
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/memoryallocator.cpp (deleted)
	* src/memoryallocator.hpp (deleted)
	* src/memoryusageobserver.cpp (deleted)
	* src/memoryusageobserver.hpp (deleted)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/LineUnittest.cpp (modified)
	* src/unittests/LineUnittest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MatrixUnittest.cpp (added)
	* src/unittests/MatrixUnittest.hpp (added)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/PlaneUnittest.cpp (modified)
	* src/unittests/ShapeUnittest.cpp (added)
	* src/unittests/ShapeUnittest.hpp (added)
	* src/unittests/linearsystemofequationsunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/unittests/vectorunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)
	* src/verbose.cpp (modified)
	* src/verbose.hpp (modified)
	* test_all.sh (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/regression/Domain/4/post/test.conf (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Merge branch 'StructureRefactoring' into stable

	Conflicts:
	        ...


Wed, 07 Jul 2010 11:53:05 GMT Frederik Heber <heber@…> [86cff86]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* tests/regression/Domain/6/post/test-x.xyz (moved)
	* tests/regression/Domain/6/post/test-y.xyz (moved)
	* tests/regression/Domain/6/post/test-z.xyz (moved)
	* tests/regression/Domain/6/post/test.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment0.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment1.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment2.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment3.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment4.xyz (moved)
	* tests/regression/Molecules/6/post/test2.conf (moved)
	* tests/regression/Molecules/6/pre/test2.conf (added)
	* tests/regression/Simple_configuration/2/post/test.in (moved)
	* tests/regression/Simple_configuration/2/post/test.xyz (moved)
	* tests/regression/Simple_configuration/3/post/test.in (moved)
	* tests/regression/Simple_configuration/3/post/test.xyz (moved)
	* tests/regression/Simple_configuration/3/post/test2.conf (moved)
	* tests/regression/Simple_configuration/3/post/test2.in (added)
	* tests/regression/Simple_configuration/3/post/test2.xyz (added)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (deleted)
	* tests/regression/Simple_configuration/4/post/test.xyz (added)
	* tests/regression/Simple_configuration/4/pre/test.xyz (added)
	* tests/regression/Simple_configuration/5/post/test.in (moved)
	* tests/regression/Simple_configuration/5/post/test.xyz (moved)
	* tests/regression/Simple_configuration/8/post/test.xyz (moved)
	* tests/regression/Simple_configuration/8/post/test.xyz-sorted (added)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	InputAction now parses all possible formats, not only pcp.

	- new ...


Wed, 30 Jun 2010 13:57:31 GMT Tillmann Crueger <crueger@…> [4907a3]
	* tests/regression/Domain/4/post/test.conf (modified)

	TESTFIX: Repaired regression test that tried to produce a non- ...


Wed, 23 Jun 2010 15:52:50 GMT Frederik Heber <heber@…> [35b698]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* tests/regression/Domain/6/post/test-x.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-y.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-z.conf.xyz (modified)
	* tests/regression/Domain/6/post/test.conf.xyz (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/3/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Simple_configuration/8/post/test.conf.xyz (modified)
	* tests/regression/testsuite-fragmentation.at (modified)

	BIG CHANGE: config::load and config::save in ...


Sat, 19 Jun 2010 15:54:47 GMT Frederik Heber <heber@…> [274d45]
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/orbitals.db (modified)
	* src/periodentafel.cpp (modified)
	* src/valence.db (modified)
	* tests/regression/Domain/2/post/test.conf (modified)
	* tests/regression/Domain/3/post/test.conf (modified)
	* tests/regression/Domain/4/post/test.conf (modified)
	* tests/regression/Domain/5/post/test.conf (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Filling/1/pre/test.conf (modified)
	* tests/regression/Molecules/6/post/test.conf (modified)
	* tests/regression/Molecules/6/pre/test.conf (modified)
	* tests/regression/Molecules/7/post/test.conf (modified)
	* tests/regression/Molecules/7/pre/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf (modified)
	* tests/regression/Simple_configuration/3/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	FIX: Atoms were stored not in the sequence they were loaded.

	1. The ...


Mon, 31 May 2010 19:46:59 GMT Frederik Heber <heber@…> [1b9321]
	* tests/regression/Domain/6/post/test.conf.xyz (added)

	Added missing test.conf.xyz for Domain/6.

	Signed-off-by: Frederik ...


Mon, 31 May 2010 17:32:27 GMT Frederik Heber <heber@…> [1024cb]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Helpers/Assert.cpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/ObservedIterator.hpp (added)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Plane.cpp (modified)
	* src/Plane.hpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/atom.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/lists.cpp (deleted)
	* src/lists.hpp (modified)
	* src/memoryallocator.cpp (added)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/molecule_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* tests/regression/Domain/5/post/test.conf (modified)
	* tests/regression/Domain/5/pre/test.conf (modified)
	* tests/regression/Domain/6/post/test-x.conf (deleted)
	* tests/regression/Domain/6/post/test-x.conf.xyz (added)
	* tests/regression/Domain/6/post/test-y.conf (deleted)
	* tests/regression/Domain/6/post/test-y.conf.xyz (added)
	* tests/regression/Domain/6/post/test-z.conf (deleted)
	* tests/regression/Domain/6/post/test-z.conf.xyz (added)
	* tests/regression/Domain/6/post/test.conf (deleted)
	* tests/regression/Domain/6/pre/test.conf (modified)
	* tests/regression/Simple_configuration/8/post/test.conf (deleted)
	* tests/regression/Simple_configuration/8/post/test.conf.xyz (added)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Merge commit 'jupiter/MoleculeStartEndSwitch' into ...


Sun, 30 May 2010 19:40:32 GMT Frederik Heber <heber@…> [afd01c]
	* tests/regression/Domain/6/post/test-x.conf (added)
	* tests/regression/Domain/6/post/test-y.conf (added)
	* tests/regression/Domain/6/post/test-z.conf (added)
	* tests/regression/Domain/6/post/test.conf (added)
	* tests/regression/Domain/6/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-d' (duplicate box) to testsuite.


Sun, 30 May 2010 17:31:15 GMT Frederik Heber <heber@…> [8048a4]
	* tests/regression/Domain/5/post/test.conf (added)
	* tests/regression/Domain/5/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-s' (scaling box) to testsuite.


Sun, 30 May 2010 09:49:37 GMT Frederik Heber <heber@…> [745874]
	* tests/regression/Domain/4/post/test.conf (added)
	* tests/regression/Domain/4/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-O' to testsuite.


Sun, 30 May 2010 09:45:41 GMT Frederik Heber <heber@…> [0335a2]
	* tests/regression/Domain/3/post/test.conf (added)
	* tests/regression/Domain/3/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-c' to testsuite.


Sat, 29 May 2010 18:57:36 GMT Frederik Heber <heber@…> [e3989a]
	* tests/regression/Domain/2/post/test.conf (added)
	* tests/regression/Domain/2/pre/test.conf (added)
	* tests/testsuite.at (modified)

	Added case '-b' to testsuite.


Sat, 29 May 2010 18:29:33 GMT Frederik Heber <heber@…> [c82720]
	* tests/regression/Domain/1/post/test.conf (added)
	* tests/testsuite.at (modified)

	Added case '-B' to testsuite.

	- added new set of tests 'Domain'