#
# ChangeLog for src/unittests
#
# Generated by Trac 1.6
# May 25, 2025, 9:04:15 PM

Wed, 19 May 2010 18:46:52 GMT Frederik Heber <heber@…> [8de375]
	* src/Helpers/MemDebug.cpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/bond.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	Merge branch 'StructureRefactoring' into CommandLineActionMapping
 ...


Tue, 18 May 2010 15:20:52 GMT Frederik Heber <heber@…> [4eb4fe]
	* src/analysis_bonds.cpp (modified)
	* src/analysis_bonds.hpp (modified)
	* src/builder.cpp (modified)
	* src/elements.db (modified)
	* src/elements_db.cpp (added)
	* src/elements_db.hpp (added)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/CountBondsUnitTest.hpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/analysisbondsunittest.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.hpp (modified)
	* src/unittests/periodentafelTest.cpp (added)
	* src/unittests/periodentafelTest.hpp (added)
	* tests/testsuite.at (modified)

	"-e <db path>" not necessary anymore.

	Removed necessity of ...


Sat, 15 May 2010 17:56:57 GMT Frederik Heber <heber@…> [97ebf8]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (added)
	* src/Actions/AnalysisAction/MolecularVolumeAction.hpp (added)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (added)
	* src/Actions/AnalysisAction/PairCorrelationAction.hpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.hpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp (added)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (added)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (added)
	* src/Actions/AtomAction/AddAction.cpp (added)
	* src/Actions/AtomAction/AddAction.hpp (added)
	* src/Actions/AtomAction/ChangeElementAction.cpp (added)
	* src/Actions/AtomAction/ChangeElementAction.hpp (added)
	* src/Actions/AtomAction/RemoveAction.cpp (added)
	* src/Actions/AtomAction/RemoveAction.hpp (added)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (added)
	* src/Actions/CmdAction/BondLengthTableAction.hpp (added)
	* src/Actions/CmdAction/ElementDbAction.cpp (added)
	* src/Actions/CmdAction/ElementDbAction.hpp (added)
	* src/Actions/CmdAction/FastParsingAction.cpp (added)
	* src/Actions/CmdAction/FastParsingAction.hpp (added)
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (added)
	* src/Actions/CmdAction/VerboseAction.hpp (added)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (added)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (added)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (added)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (added)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (added)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (added)
	* src/Actions/MapOfActions.cpp (added)
	* src/Actions/MapOfActions.hpp (added)
	* src/Actions/MoleculeAction/BondFileAction.cpp (added)
	* src/Actions/MoleculeAction/BondFileAction.hpp (added)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (added)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (added)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (added)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (added)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (added)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (added)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (added)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (added)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (added)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (added)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (added)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (added)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (added)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (added)
	* src/Actions/MoleculeAction/TranslateAction.cpp (added)
	* src/Actions/MoleculeAction/TranslateAction.hpp (added)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (added)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (added)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (added)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (added)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (added)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (added)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (added)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (added)
	* src/Actions/WorldAction/BoundInBoxAction.cpp (added)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (added)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (added)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (added)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (added)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (added)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (added)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (added)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (added)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.hpp (added)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (added)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (added)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (added)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (added)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (added)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (added)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (added)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (added)
	* src/CommandLineParser.cpp (modified)
	* src/CommandLineParser.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/UIElements/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineWindow.cpp (modified)
	* src/UIElements/CommandLineWindow.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextDialog.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/unittests/MapofActionsTest.cpp (added)
	* src/unittests/MapofActionsTest.hpp (added)

	Added all commands defined in ParseCommandLineOptions() as Actions.
 ...


Fri, 14 May 2010 19:57:06 GMT Frederik Heber <heber@…> [498c519]
	* src/unittests/TestRunnerMain.cpp (modified)

	Merge remote branch 'bespin/FixTestRunnerClient' into ...


Fri, 14 May 2010 19:53:36 GMT Frederik Heber <heber@…> [cee0a17]
	* src/unittests/TestRunnerMain.cpp (modified)

	FIX: TestRunner is broken when TestRunnerClient.[h|cpp] can not be ...


Sat, 08 May 2010 18:39:10 GMT Frederik Heber <heber@…> [18eecf]
	* src/unittests/Makefile.am (modified)

	minor change: put entries in molecuilder/src/unittests/Makefile.am ...


Sat, 08 May 2010 12:47:57 GMT Tillmann Crueger <crueger@…> [68f03d]
	* src/Helpers/MemDebug.cpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/bond.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	FIX: Memory corruption in particleInfo class


Sat, 08 May 2010 12:17:30 GMT Frederik Heber <heber@…> [b9b604]
	* src/Makefile.am (modified)
	* src/Parser/ChangeTracker.cpp (added)
	* src/Parser/ChangeTracker.hpp (added)
	* src/Parser/FormatParser.cpp (added)
	* src/Parser/FormatParser.hpp (added)
	* src/Parser/TremoloParser.cpp (added)
	* src/Parser/TremoloParser.hpp (added)
	* src/Parser/XyzParser.cpp (added)
	* src/Parser/XyzParser.hpp (added)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/bond.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ParserUnitTest.cpp (added)
	* src/unittests/ParserUnitTest.hpp (added)
	* src/unittests/SingletonTest.cpp (modified)

	Merge branch 'StateAndFormatParser' into CommandLineActionMapping
 ...


Sun, 02 May 2010 16:47:18 GMT Saskia Metzler <metzler@…> [b8d4a3]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/bond.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/ParserUnitTest.hpp (modified)
	* src/unittests/SingletonTest.cpp (modified)

	Tremolo format parser


Fri, 30 Apr 2010 13:33:12 GMT Tillmann Crueger <crueger@…> [fa5a6a]
	* src/Plane.cpp (modified)
	* src/Plane.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/PlaneUnittest.cpp (added)
	* src/unittests/PlaneUnittest.hpp (added)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)

	Added unittests for planes


Fri, 30 Apr 2010 10:07:23 GMT Tillmann Crueger <crueger@…> [1513a74]
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/bond.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Declared the Vector class as single point spaces


Thu, 29 Apr 2010 16:03:30 GMT Tillmann Crueger <crueger@…> [1829c4]
	* src/Plane.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/unittests/vectorunittest.hpp (modified)
	* src/vector.cpp (modified)

	FIX: Bug that caused memory corruption in ...


Thu, 29 Apr 2010 13:55:21 GMT Tillmann Crueger <crueger@…> [8cbb97]
	* src/Exceptions/CustomException.cpp (added)
	* src/Exceptions/CustomException.hpp (added)
	* src/Exceptions/LinearDependenceException.cpp (added)
	* src/Exceptions/LinearDependenceException.hpp (added)
	* src/Helpers/fast_functions.hpp (added)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Plane.cpp (added)
	* src/Plane.hpp (added)
	* src/UIElements/TextDialog.cpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/gslmatrix.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/leastsquaremin.cpp (modified)
	* src/linearsystemofequations.cpp (modified)
	* src/linkedcell.cpp (modified)
	* 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_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/test/ActOnAlltest.hpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/ActOnAllUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (added)
	* src/vector_ops.hpp (added)

	Merge branch 'VectorRefactoring' into StructureRefactoring
 ...


Tue, 27 Apr 2010 14:25:42 GMT Frederik Heber <heber@…> [5f612ee]
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_bonds.hpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_trajectoryparticle.cpp (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/defs.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/errorlogger.cpp (modified)
	* src/graph.cpp (modified)
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/info.cpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/log.cpp (modified)
	* src/log.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* 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/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/triangleintersectionlist.cpp (added)
	* src/triangleintersectionlist.hpp (added)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (added)
	* src/unittests/CountBondsUnitTest.hpp (added)
	* src/unittests/LinkedCellUnitTest.cpp (added)
	* src/unittests/LinkedCellUnitTest.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)
	* src/unittests/gslvectorunittest.cpp (modified)
	* src/unittests/gslvectorunittest.hpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.hpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/tesselationunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* src/verbose.hpp (modified)
	* tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (deleted)
	* tests/Tesselations/defs.in (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)

	Merge branch 'Analysis_PairCorrelation' into StructureRefactoring
 ...


Mon, 26 Apr 2010 16:22:17 GMT Frederik Heber <heber@…> [6cd16b]
	* src/unittests/analysisbondsunittest.cpp (modified)

	Merge branch 'FixAnalysisBonds_carbonwrongZ' into ...


Mon, 26 Apr 2010 16:19:32 GMT Frederik Heber <heber@…> [6056f1]
	* src/unittests/analysisbondsunittest.cpp (modified)

	FIX: AnalysisBondsUnitTests has been broken due to Z of carbon same ...


Mon, 26 Apr 2010 16:13:02 GMT Frederik Heber <heber@…> [fe6c3e]
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)

	Merge branch 'FixAnalysisCorrelation_zeroinitallbins' into ...


Mon, 26 Apr 2010 16:11:23 GMT Frederik Heber <heber@…> [3d9df5]
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)

	FIX: AnalysisCorrelationToPointUnitTest has been broken due to init ...


Mon, 26 Apr 2010 16:04:41 GMT Frederik Heber <heber@…> [3b9e34]
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)

	Merge branch 'FixAnalysisCorrelation_zeroinitallbins' into ...


Mon, 26 Apr 2010 16:00:24 GMT Frederik Heber <heber@…> [c6394d]
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)

	FIX: AnalysisCorrelationToSurfaceUnitTest has been broken since ...


Mon, 26 Apr 2010 15:47:54 GMT Frederik Heber <heber@…> [ee7e25]
	* src/molecule_graph.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)

	Merge branch 'FixBondGraphUnitTest_hydrogencarbon' into ...


Mon, 26 Apr 2010 15:42:45 GMT Frederik Heber <heber@…> [e5ad5c]
	* src/molecule_graph.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)

	BUGFIX: BondGraphUnitTest was not working.

	Changes:
	 - atoms are ...


Sun, 25 Apr 2010 12:48:24 GMT Tillmann Crueger <crueger@…> [033a05]
	* src/Helpers/Assert.hpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)

	Small improvements to Observer code


Sat, 24 Apr 2010 15:27:00 GMT Tillmann Crueger <crueger@…> [ccacba]
	* src/Helpers/Assert.hpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)

	Added methods for specialized Notifications from the Observer
	Framework


Thu, 22 Apr 2010 14:00:03 GMT Frederik Heber <heber@…> [a67d19]
	* src/analysis_correlation.cpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/info.cpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/vector.cpp (modified)

	Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) ...


Fri, 16 Apr 2010 12:26:16 GMT Frederik Heber <heber@…> [474961]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	New approach to degenerated triangles: Recognize on creation and add ...


Thu, 15 Apr 2010 15:22:51 GMT Frederik Heber <heber@…> [ebb50e]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	Renamed AddCandidateTriangle() -> AddCandidatePolygon()

	- ...


Thu, 15 Apr 2010 10:54:26 GMT Tillmann Crueger <crueger@…> [1bd79e]
	* src/Makefile.am (modified)
	* src/SingleVector.cpp (modified)
	* src/SingleVector.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)

	Changed implementation of Vector to forward operations to contained ...


Tue, 13 Apr 2010 13:22:42 GMT Tillmann Crueger <crueger@…> [273382]
	* src/Legacy/oldmenu.cpp (modified)
	* src/Plane.cpp (modified)
	* src/SingleVector.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* 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_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/test/ActOnAlltest.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)

	Prepared interface of Vector Class for transition to VectorComposites


Fri, 09 Apr 2010 13:41:52 GMT Frederik Heber <heber@…> [4f9e47]
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.hpp (modified)

	Full-working LinkedCellUnitTest.

	- new unit test for class ...


Fri, 09 Apr 2010 10:14:20 GMT heber <heber@…> [dcea0f]
	* src/unittests/LinkedCellUnitTest.cpp (added)
	* src/unittests/LinkedCellUnitTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	New Unit test for class LinkedCell.

	- this is just the skeleton, so ...


Fri, 09 Apr 2010 09:55:39 GMT heber <heber@…> [734816]
	* src/boundary.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.hpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/tesselationunittest.hpp (modified)

	LinkedNodes is now declared inside LinkedCell and some new functions. ...


Thu, 08 Apr 2010 14:00:11 GMT Tillmann Crueger <crueger@…> [2efa90]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/Process.cpp (modified)
	* src/Actions/Process.hpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)

	Added detailed documentation for the Action class


Wed, 07 Apr 2010 15:45:38 GMT Tillmann Crueger <crueger@…> [0a4f7f]
	* src/Exceptions/CustomException.cpp (added)
	* src/Exceptions/CustomException.hpp (added)
	* src/Exceptions/LinearDependenceException.cpp (added)
	* src/Exceptions/LinearDependenceException.hpp (added)
	* src/Helpers/fast_functions.hpp (added)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Plane.cpp (added)
	* src/Plane.hpp (added)
	* src/UIElements/TextDialog.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/gslmatrix.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/leastsquaremin.cpp (modified)
	* src/linearsystemofequations.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/ActOnAllUnitTest.hpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (added)
	* src/vector_ops.hpp (added)

	Made data internal data-structure of vector class private

	- ...


Thu, 01 Apr 2010 18:52:09 GMT Frederik Heber <heber@…> [fe238c]
	* src/analysis_bonds.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)

	Enhanced CountHydrogenBridgeBonds() a bit.

	- new functions ...


Thu, 01 Apr 2010 13:49:25 GMT Frederik Heber <heber@…> [388049]
	* src/analysis_bonds.cpp (modified)
	* src/analysis_bonds.hpp (modified)
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)

	Moved functions CountBondsOfTwo(), CountBondsOfThree() and ...


Thu, 01 Apr 2010 12:16:29 GMT Saskia Metzler <metzler@…> [4415da]
	* doc/Doxyfile (modified)
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionHistory.cpp (added)
	* src/Actions/ActionHistory.hpp (added)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Actions/small_actions.cpp (modified)
	* src/Actions/small_actions.hpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor_impl.hpp (modified)
	* src/Descriptors/DescriptorBase.hpp (added)
	* src/Descriptors/DescriptorBase_impl.hpp (added)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor.hpp (modified)
	* src/Descriptors/SelectiveIterator.hpp (added)
	* src/Descriptors/SelectiveIterator_impl.hpp (added)
	* src/Helpers/Assert.cpp (added)
	* src/Helpers/Assert.hpp (added)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Menu/ActionMenuItem.cpp (modified)
	* src/Menu/ActionMenuItem.hpp (modified)
	* src/Menu/MenuItem.cpp (modified)
	* src/Menu/MenuItem.hpp (modified)
	* src/Menu/TextMenu.cpp (modified)
	* src/Menu/TextMenu.hpp (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Patterns/Singleton.hpp (added)
	* src/Patterns/Singleton_impl.hpp (added)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextDialog.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/TextWindow.hpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/WorldIterators.cpp (deleted)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_atominfo.cpp (modified)
	* src/atom_atominfo.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/element.hpp (modified)
	* src/errorlogger.cpp (modified)
	* src/errorlogger.hpp (modified)
	* src/helpers.hpp (modified)
	* src/leastsquaremin.hpp (modified)
	* src/log.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/types.hpp (added)
	* src/unittests/ActionSequenceTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (modified)
	* src/unittests/AtomDescriptorTest.hpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MoleculeDescriptorTest.cpp (modified)
	* src/unittests/MoleculeDescriptorTest.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/SingletonTest.cpp (added)
	* src/unittests/SingletonTest.hpp (added)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/atomsCalculationTest.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Merge Till's structure refactoring

	Merge commit ...


Thu, 01 Apr 2010 09:35:42 GMT Frederik Heber <heber@…> [62c9c0]
	* src/unittests/CountBondsUnitTest.cpp (modified)

	Added output of test cases for visualization. Is commented out ...


Tue, 30 Mar 2010 18:52:14 GMT Frederik Heber <heber@…> [dfe8ef]
	* src/bondgraph.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (added)
	* src/unittests/CountBondsUnitTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	BUGFIX: CountHydrogenBridgeBonds() was half-broken, ...


Tue, 30 Mar 2010 13:22:20 GMT Saskia Metzler <metzler@…> [9131f3]
	* src/Makefile.am (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/ParserUnitTest.hpp (modified)

	WIP tremolo parser


Thu, 25 Mar 2010 12:59:20 GMT Tillmann Crueger <crueger@…> [975a11]
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Repaired broken unittest


Thu, 25 Mar 2010 10:06:49 GMT Tillmann Crueger <crueger@…> [5b0b98]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Actions/small_actions.cpp (modified)
	* src/Actions/small_actions.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)

	Switched type of pointer used for ActionStates


Wed, 24 Mar 2010 16:26:21 GMT Tillmann Crueger <crueger@…> [67e2b3]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Actions/small_actions.cpp (modified)
	* src/Actions/small_actions.hpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)

	Added methods that allow bookkeeping of actions for undo/redo methods


Fri, 19 Mar 2010 16:44:08 GMT Tillmann Crueger <crueger@…> [4fb5a3]
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)

	Improved Observer Framework to include methods to report the state
 ...


Fri, 19 Mar 2010 16:30:57 GMT Tillmann Crueger <crueger@…> [5be0eb]
	* src/Helpers/Assert.cpp (modified)
	* src/Helpers/Assert.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)

	Added more functionality to custom asserts.

	- Asserts allow now ...


Thu, 18 Mar 2010 14:48:20 GMT Tillmann Crueger <crueger@…> [229e3c]
	* src/Helpers/Assert.cpp (added)
	* src/Helpers/Assert.hpp (added)
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Added custom Assert makro that allows ignoring asserts


Thu, 18 Mar 2010 11:33:54 GMT Frederik Heber <heber@…> [58ed4a]
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/helpers.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/log.cpp (modified)
	* src/log.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/vector.cpp (modified)

	Log() and eLog() are prepended by a DoLog()/DoeLog() construct.

	- ...


Wed, 17 Mar 2010 15:19:56 GMT Tillmann Crueger <crueger@…> [6e97e5]
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/DescriptorBase.hpp (added)
	* src/Descriptors/DescriptorBase_impl.hpp (added)
	* src/Descriptors/MoleculeDescriptor.hpp (modified)
	* src/Descriptors/SelectiveIterator.hpp (added)
	* src/Descriptors/SelectiveIterator_impl.hpp (added)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/WorldIterators.cpp (deleted)
	* src/helpers.hpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Added a generic Iterator that can be used to iterate only over ...


Fri, 12 Mar 2010 13:16:01 GMT Tillmann Crueger <crueger@…> [ead4e6]
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor_impl.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.hpp (modified)
	* src/atom_atominfo.cpp (modified)
	* src/atom_atominfo.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/element.hpp (modified)
	* src/leastsquaremin.hpp (modified)
	* src/molecule.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/types.hpp (added)
	* src/unittests/AtomDescriptorTest.hpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/MoleculeDescriptorTest.hpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/atomsCalculationTest.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)

	Made the periodentafel use STL-containers instead of custom llists


Thu, 11 Mar 2010 15:17:29 GMT Tillmann Crueger <crueger@…> [0f6f3a]
	* src/Patterns/Singleton.hpp (modified)
	* src/Patterns/Singleton_impl.hpp (modified)
	* src/unittests/SingletonTest.cpp (modified)

	Small improvements to singleton pattern


Thu, 11 Mar 2010 14:19:53 GMT Tillmann Crueger <crueger@…> [aee1a3]
	* src/Makefile.am (modified)
	* src/log.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/unittests/logunittest.cpp (modified)

	Made logger class use the new Singleton framework


Thu, 11 Mar 2010 14:08:44 GMT Tillmann Crueger <crueger@…> [e73a8a2]
	* src/Actions/Action.cpp (modified)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/builder.cpp (modified)
	* src/unittests/SingletonTest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Changed ActionRegistry to use the new Singleton Mechanism


Thu, 11 Mar 2010 11:32:17 GMT Tillmann Crueger <crueger@…> [7ca806]
	* src/Patterns/Singleton.hpp (modified)
	* src/Patterns/Singleton_impl.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Changed the mutex type used in the Singleton pattern to allow ...


Thu, 11 Mar 2010 11:21:55 GMT Tillmann Crueger <crueger@…> [d25863]
	* src/unittests/SingletonTest.cpp (added)
	* src/unittests/SingletonTest.hpp (added)

	Added Unittest for Singleton pattern


Wed, 10 Mar 2010 17:51:48 GMT Tillmann Crueger <crueger@…> [23b547]
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Patterns/Singleton.hpp (added)
	* src/Patterns/Singleton_impl.hpp (added)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/WorldIterators.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_atominfo.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (modified)
	* src/unittests/MoleculeDescriptorTest.cpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Added generic singleton Pattern that can be inherited to any class ...


Fri, 05 Mar 2010 13:45:35 GMT Saskia Metzler <metzler@…> [cb2146]
	* src/Descriptors/MoleculeIdDescriptor.cpp (added)
	* src/Descriptors/MoleculeIdDescriptor.hpp (added)
	* src/Descriptors/MoleculeIdDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (moved)
	* src/unittests/AtomDescriptorTest.hpp (moved)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MoleculeDescriptorTest.cpp (added)
	* src/unittests/MoleculeDescriptorTest.hpp (added)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	solve merge conflict

	Merge commit 'till/StructureRefactoring' into ...


Fri, 05 Mar 2010 12:53:13 GMT Saskia Metzler <metzler@…> [ab4b55]
	* src/FormatParser.cpp (deleted)
	* src/Makefile.am (modified)
	* src/Matrix.cpp (deleted)
	* src/Matrix.hpp (deleted)
	* src/Parser/ChangeTracker.cpp (moved)
	* src/Parser/ChangeTracker.hpp (moved)
	* src/Parser/FormatParser.cpp (added)
	* src/Parser/FormatParser.hpp (moved)
	* src/Parser/TremoloParser.cpp (moved)
	* src/Parser/TremoloParser.hpp (moved)
	* src/Parser/XyzParser.cpp (added)
	* src/Parser/XyzParser.hpp (added)
	* src/XyzParser.cpp (deleted)
	* src/XyzParser.hpp (deleted)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MatrixUnitTest.cpp (deleted)
	* src/unittests/MatrixUnitTest.hpp (deleted)
	* src/unittests/ParserUnitTest.cpp (added)
	* src/unittests/ParserUnitTest.hpp (added)

	the XYZ parser


Thu, 04 Mar 2010 10:33:44 GMT Tillmann Crueger <crueger@…> [57adc7]
	* src/Descriptors/MoleculeIdDescriptor.cpp (added)
	* src/Descriptors/MoleculeIdDescriptor.hpp (added)
	* src/Descriptors/MoleculeIdDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (moved)
	* src/unittests/AtomDescriptorTest.hpp (moved)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MoleculeDescriptorTest.cpp (added)
	* src/unittests/MoleculeDescriptorTest.hpp (added)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Added methods to query Molecules by ID


Thu, 04 Mar 2010 09:49:45 GMT Saskia Metzler <metzler@…> [57f5cf]
	* doc/Doxyfile (modified)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/AtomsCalculation.hpp (added)
	* src/Actions/AtomsCalculation_impl.hpp (added)
	* src/Actions/Calculation.hpp (added)
	* src/Actions/Calculation_impl.hpp (added)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (added)
	* src/Actions/ManipulateAtomsProcess.hpp (added)
	* src/Actions/Process.cpp (modified)
	* src/Actions/Process.hpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.hpp (modified)
	* src/Descriptors/AtomIdDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (added)
	* src/Descriptors/AtomTypeDescriptor.hpp (added)
	* src/Descriptors/AtomTypeDescriptor_impl.hpp (added)
	* src/Descriptors/MoleculeDescriptor.cpp (added)
	* src/Descriptors/MoleculeDescriptor.hpp (added)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (added)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Menu/DisplayMenuItem.cpp (modified)
	* src/Menu/TextMenu.cpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/MainWindow.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextStatusIndicator.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/Views/MethodStringView.cpp (modified)
	* src/Views/MethodStringView.hpp (modified)
	* src/Views/StreamStringView.cpp (modified)
	* src/Views/StreamStringView.hpp (modified)
	* src/Views/StringView.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/WorldIterators.cpp (added)
	* src/World_calculations.hpp (added)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_atominfo.cpp (modified)
	* src/atom_atominfo.hpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/defs.hpp (modified)
	* src/lists.cpp (added)
	* src/lists.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/DescriptorUnittest.cpp (modified)
	* src/unittests/DescriptorUnittest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (added)
	* src/unittests/atomsCalculationTest.hpp (added)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (added)
	* src/unittests/manipulateAtomsTest.hpp (added)

	Merge commit 'till/StructureRefactoring' into StateAndFormatParser
 ...


Thu, 04 Mar 2010 09:24:36 GMT Saskia Metzler <metzler@…> [6bc51d]
	* src/ChangeTracker.cpp (added)
	* src/ChangeTracker.hpp (added)
	* src/FormatParser.cpp (added)
	* src/FormatParser.hpp (added)
	* src/Matrix.cpp (added)
	* src/Matrix.hpp (added)
	* src/TremoloParser.cpp (added)
	* src/TremoloParser.hpp (added)
	* src/XyzParser.cpp (added)
	* src/XyzParser.hpp (added)
	* src/unittests/MatrixUnitTest.cpp (added)
	* src/unittests/MatrixUnitTest.hpp (added)

	Work-in-progress commit of change tracker and parser


Thu, 04 Mar 2010 09:21:38 GMT Saskia Metzler <metzler@…> [706f9b]
	* src/Makefile.am (modified)
	* src/unittests/Makefile.am (modified)

	Work-in-progress commit of parser and changeTracker


Mon, 01 Mar 2010 22:10:13 GMT Frederik Heber <heber@…> [8db598]
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/triangleintersectionlist.cpp (added)
	* src/triangleintersectionlist.hpp (added)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)

	New class TriangleIntersection List and (hopefully) final fix of ...


Mon, 01 Mar 2010 20:28:00 GMT Frederik Heber <heber@…> [b11d3b]
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/unittests/gslvectorunittest.cpp (modified)
	* src/unittests/gslvectorunittest.hpp (modified)

	Added operators and state checkers to GSLVector.

	- added operators ...


Fri, 26 Feb 2010 13:57:01 GMT Tillmann Crueger <crueger@…> [a1510d]
	* configure.ac (modified)
	* src/Actions/small_actions.hpp (modified)
	* src/Makefile.am (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/UIElements/TextStatusIndicator.cpp (added)
	* src/UIElements/TextStatusIndicator.hpp (added)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/TextWindow.hpp (modified)
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* src/element.cpp (modified)
	* src/gslmatrix.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/DescriptorUnittest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/TestRunnerMain.cpp (added)
	* src/unittests/UnitTestMain.cpp (added)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (modified)
	* src/unittests/gslmatrixunittest.cpp (modified)
	* src/unittests/gslvectorunittest.cpp (modified)
	* src/unittests/infounittest.cpp (modified)
	* src/unittests/linearsystemofequationsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/memoryusageobserverunittest.cpp (modified)
	* src/unittests/stackclassunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* tests/Tesselations/defs.in (modified)

	Merge branch 'FreddiesRefactoring' into StructureRefactoring
 ...


Fri, 26 Feb 2010 10:02:12 GMT Frederik Heber <heber@…> [e6fdbe]
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/infounittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/stackclassunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)

	MEMLEAK: In many tests World, MemoryUsageObserver, logger or ...


Fri, 26 Feb 2010 10:01:50 GMT Frederik Heber <heber@…> [5e5283]
	* src/unittests/ObserverTest.cpp (modified)

	FIX: Values have been used uninitialized.


Fri, 26 Feb 2010 10:01:30 GMT Frederik Heber <heber@…> [5c8592]
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (modified)

	MEMLEAK: TesselPoints and Vectors created during ...


Fri, 26 Feb 2010 09:58:39 GMT Frederik Heber <heber@…> [1ec0ac]
	* src/unittests/memoryusageobserverunittest.cpp (modified)

	MEMLEAK: Lots of Free() have been forgotten after Malloc's at start ...


Thu, 25 Feb 2010 16:43:02 GMT Tillmann Crueger <crueger@…> [cbc5fb]
	* src/Legacy/oldmenu.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)

	Made the world solely responsible for creating and erasing molecules.


Thu, 25 Feb 2010 15:06:38 GMT Frederik Heber <heber@…> [f72703]
	* src/unittests/ActOnAllUnitTest.cpp (modified)

	MEMLEAK: ActOnAllTest forgot to delete the copied VectorList Ref and ...


Thu, 25 Feb 2010 15:05:05 GMT Frederik Heber <heber@…> [f59d81]
	* src/unittests/ActionSequenceTest.cpp (modified)

	MEMLEAK: created ActionSequence was not deleted at the end of some
	tests.


Thu, 25 Feb 2010 14:17:15 GMT Frederik Heber <heber@…> [9b6b2f]
	* configure.ac (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/DescriptorUnittest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/TestRunnerMain.cpp (added)
	* src/unittests/UnitTestMain.cpp (added)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (modified)
	* src/unittests/gslmatrixunittest.cpp (modified)
	* src/unittests/gslvectorunittest.cpp (modified)
	* src/unittests/infounittest.cpp (modified)
	* src/unittests/linearsystemofequationsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/memoryusageobserverunittest.cpp (modified)
	* src/unittests/stackclassunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)

	Tests now work with Eclipse ECUT's TestRunner.

	- new switch in ...


Wed, 24 Feb 2010 16:21:12 GMT Tillmann Crueger <crueger@…> [46d958]
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/lists.cpp (added)
	* src/lists.hpp (modified)
	* src/molecule.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/DescriptorUnittest.cpp (modified)
	* src/unittests/DescriptorUnittest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/atomsCalculationTest.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Made the world solely responsible for creating and destroying atoms.


Fri, 19 Feb 2010 14:31:56 GMT Tillmann Crueger <crueger@…> [b54ac8]
	* src/Actions/AtomsCalculation.hpp (added)
	* src/Actions/AtomsCalculation_impl.hpp (added)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/World.hpp (modified)
	* src/World_calculations.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/atomsCalculationTest.cpp (added)
	* src/unittests/atomsCalculationTest.hpp (added)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Added templates that allow arbitrary calculations on atoms to be ...


Fri, 19 Feb 2010 11:49:54 GMT Tillmann Crueger <crueger@…> [afb47f]
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.hpp (modified)

	Added a mechanism that allows the world to track changes done by the ...


Fri, 19 Feb 2010 11:49:42 GMT Tillmann Crueger <crueger@…> [7c4e29]
	* src/Actions/Calculation.hpp (added)
	* src/Actions/Calculation_impl.hpp (added)
	* src/Actions/Process.cpp (modified)
	* src/Actions/Process.hpp (modified)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/unittests/Makefile.am (modified)

	Added a class that allows constructing Processes that have a result


Thu, 18 Feb 2010 16:46:07 GMT Tillmann Crueger <crueger@…> [b2cfdb]
	* src/Actions/ManipulateAtomsProcess.cpp (added)
	* src/Actions/ManipulateAtomsProcess.hpp (added)
	* src/unittests/manipulateAtomsTest.cpp (added)
	* src/unittests/manipulateAtomsTest.hpp (added)

	Added a method that allows manipulation of selected atoms


Tue, 16 Feb 2010 16:24:07 GMT Tillmann Crueger <crueger@…> [7a1ce5]
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (added)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.hpp (modified)
	* src/Descriptors/AtomIdDescriptor_impl.hpp (added)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/unittests/DescriptorUnittest.cpp (added)
	* src/unittests/DescriptorUnittest.hpp (added)
	* src/unittests/Makefile.am (modified)

	Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for ...


Fri, 05 Feb 2010 14:59:41 GMT Tillmann Crueger <crueger@…> [4d9c01]
	* configure.ac (modified)
	* m4/m4_ax_boost_thread.m4 (added)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/unittests/Makefile.am (modified)

	Fixed some problems with the usage of Boost::threads


Wed, 03 Feb 2010 16:42:06 GMT Tillmann Crueger <crueger@…> [2ba827]
	* src/Patterns/Observer.hpp (modified)
	* src/molecule.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/CacheableTest.cpp (modified)

	Changed all observed places to new observer structure


Wed, 03 Feb 2010 16:31:45 GMT Tillmann Crueger <crueger@…> [317df8]
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)

	Changed Observer to use RAII-style for locking changes.


Tue, 02 Feb 2010 15:35:09 GMT Tillmann Crueger <crueger@…> [e3c8b4]
	* src/Makefile.am (modified)
	* src/Patterns/Cacheable.hpp (added)
	* src/unittests/CacheableTest.cpp (added)
	* src/unittests/CacheableTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	Added data structure to allow caching of derived values


Tue, 02 Feb 2010 12:00:19 GMT Tillmann Crueger <crueger@…> [d5f216]
	* src/Makefile.am (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)

	Added a view that displays all molecules using a QTableWidget


Tue, 02 Feb 2010 11:52:04 GMT Tillmann Crueger <crueger@…> [63c1f6]
	* src/Makefile.am (modified)
	* src/Patterns/Observer.cpp (added)
	* src/Patterns/Observer.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ObserverTest.cpp (added)
	* src/unittests/ObserverTest.hpp (added)

	Added generic observer pattern framework.
	(cherry picked from commit ...


Wed, 27 Jan 2010 14:36:09 GMT Tillmann Crueger <crueger@…> [04b6f9]
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/gslmatrix.cpp (added)
	* src/gslmatrix.hpp (added)
	* src/gslvector.cpp (added)
	* src/gslvector.hpp (added)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linearsystemofequations.cpp (added)
	* src/linearsystemofequations.hpp (added)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* 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_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (added)
	* src/unittests/gslmatrixsymmetricunittest.hpp (added)
	* src/unittests/gslmatrixunittest.cpp (added)
	* src/unittests/gslmatrixunittest.hpp (added)
	* src/unittests/gslvectorunittest.cpp (added)
	* src/unittests/gslvectorunittest.hpp (added)
	* src/unittests/linearsystemofequationsunittest.cpp (added)
	* src/unittests/linearsystemofequationsunittest.hpp (added)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (added)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (added)
	* src/unittests/tesselation_insideoutsideunittest.cpp (added)
	* src/unittests/tesselation_insideoutsideunittest.hpp (added)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/tesselationunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/version.h (added)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)

	Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
 ...


Tue, 26 Jan 2010 12:45:41 GMT Tillmann Crueger <crueger@…> [1ca488]
	* src/Makefile.am (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/info.cpp (added)
	* src/info.hpp (added)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/infounittest.cpp (added)
	* src/unittests/infounittest.hpp (added)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified)
	* tests/Tesselations/benzene.test (added)
	* tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/benzene.xyz (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/testsuite.at (modified)

	Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
 ...


Thu, 14 Jan 2010 17:43:34 GMT Frederik Heber <heber@…> [e9c677]
	* src/unittests/Makefile.am (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (added)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (added)

	Unit test for BoundaryTriangleSet member functions added.

	- for now ...


Mon, 11 Jan 2010 03:04:59 GMT Frederik Heber <heber@…> [68a53b]
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)

	BUGFIX - Test was wrong in upper bounds of inside area.

	- upper ...


Sun, 10 Jan 2010 19:25:50 GMT Frederik Heber <heber@…> [865272f]
	* src/gslmatrix.cpp (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (modified)

	Added Determinant() function to class GSLMatrix.

	- new function ...


Sun, 10 Jan 2010 19:15:01 GMT Frederik Heber <heber@…> [31a6af]
	* src/unittests/Makefile.am (modified)

	libgslwrapper.a added to LDADD of most tests.

	Since Vector class ...


Sun, 10 Jan 2010 19:05:34 GMT Frederik Heber <heber@…> [49e1ae]
	* src/analyzer.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/joiner.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	cstring header was missing in files, supplying definition of strlen, ...


Fri, 08 Jan 2010 17:48:35 GMT Frederik Heber <heber@…> [f60610]
	* src/Makefile.am (modified)
	* src/linearsystemofequations.cpp (added)
	* src/linearsystemofequations.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/linearsystemofequationsunittest.cpp (added)
	* src/unittests/linearsystemofequationsunittest.hpp (added)

	Wrapper class for gsl_linalg along with working Unit test.

	- new ...


Fri, 08 Jan 2010 17:46:51 GMT Frederik Heber <heber@…> [fc3b67]
	* src/Makefile.am (modified)
	* src/gslmatrix.cpp (added)
	* src/gslmatrix.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (added)
	* src/unittests/gslmatrixsymmetricunittest.hpp (added)
	* src/unittests/gslmatrixunittest.cpp (added)
	* src/unittests/gslmatrixunittest.hpp (added)

	Wrapper class for gsl_matrix along with working Unit test.

	- new ...


Fri, 08 Jan 2010 17:44:51 GMT Frederik Heber <heber@…> [9fb860]
	* src/Makefile.am (modified)
	* src/gslvector.cpp (added)
	* src/gslvector.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/gslvectorunittest.cpp (added)
	* src/unittests/gslvectorunittest.hpp (added)

	Wrapper class for gsl_vector along with working Unit test.

	- new ...


Fri, 08 Jan 2010 14:04:22 GMT Frederik Heber <heber@…> [97498a]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/vector.cpp (modified)

	Attempt to fix the tesselation::IsInnerPoint().

	We try the ...


Thu, 07 Jan 2010 14:46:34 GMT Tillmann Crueger <crueger@…> [cc04b7]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionRegistry.cpp (added)
	* src/Actions/ActionRegistry.hpp (added)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/TextUIFactory.cpp (modified)
	* src/UIElements/TextUIFactory.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/builder.cpp (modified)
	* src/menu.cpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)

	Added a central registry that allows access to actions by name.


Tue, 29 Dec 2009 14:48:49 GMT Frederik Heber <heber@…> [c15ca2]
	* src/analysis_correlation.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (added)
	* src/unittests/tesselation_insideoutsideunittest.hpp (added)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/tesselationunittest.hpp (modified)

	Changes to FindClosest...ToVector() and use of ..Map,..Set,..List ...


Tue, 29 Dec 2009 11:47:57 GMT Tillmann Crueger <crueger@…> [0229f9]
	* src/unittests/ActionSequenceTest.cpp (modified)
	* src/unittests/ActionSequenceTest.hpp (modified)

	Added more tests for Actionsequence

	- Test if every included object ...


Thu, 17 Dec 2009 16:56:06 GMT Tillmann Crueger <crueger@…> [147339]
	* src/unittests/ActionSequenceTest.cpp (added)
	* src/unittests/ActionSequenceTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	Added unittest for ActionSequence.


Wed, 25 Nov 2009 15:28:39 GMT Frederik Heber <heber@…> [8725ed]
	* src/Makefile.am (modified)
	* src/info.cpp (added)
	* src/info.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/infounittest.cpp (added)
	* src/unittests/infounittest.hpp (added)
	* src/verbose.cpp (modified)

	New Info class that contains a global verbosity level, increased per ...