#
# ChangeLog for src
#
# Generated by Trac 1.6
# May 25, 2025, 1:57:47 PM

Tue, 27 Jul 2010 09:51:40 GMT Frederik Heber <heber@…> [d6e719]
	* src/Descriptors/MoleculeNameDescriptor.cpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.cpp (modified)
	* src/Patterns/ObservedContainer_impl.hpp (modified)

	BUGFIX: some Molecule...Descriptors::find() function copied the ...


Mon, 26 Jul 2010 18:42:57 GMT Frederik Heber <heber@…> [0430e3]
	* src/Actions/Action.hpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/SelectionAction/AllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/AllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/MoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/NotAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/NotAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/NotAtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Actions/WorldAction/OutputAction.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.cpp (modified)

	FIX: ActionCalls.hpp removed, ActionRegistry.hpp included instead

	- ...


Mon, 26 Jul 2010 18:06:18 GMT Frederik Heber <heber@…> [e076cd]
	* src/Actions/ActionCalls.hpp (deleted)
	* src/Actions/AnalysisAction/MolecularVolumeAction.hpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.hpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.hpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp (modified)
	* src/Actions/AtomAction/AddAction.hpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.hpp (modified)
	* src/Actions/AtomAction/RemoveAction.hpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.hpp (modified)
	* src/Actions/CmdAction/ElementDbAction.hpp (modified)
	* src/Actions/CmdAction/FastParsingAction.hpp (modified)
	* src/Actions/CmdAction/HelpAction.hpp (modified)
	* src/Actions/CmdAction/VerboseAction.hpp (modified)
	* src/Actions/CmdAction/VersionAction.hpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MoleculeAction/BondFileAction.hpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.hpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.hpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.hpp (modified)
	* src/Actions/SelectionAction/AllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/AllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/AtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/MoleculeByIdAction.hpp (modified)
	* src/Actions/SelectionAction/NotAllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/NotAllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/NotAtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.hpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (modified)
	* src/Actions/WorldAction/InputAction.hpp (modified)
	* src/Actions/WorldAction/OutputAction.hpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.hpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.hpp (modified)

	Moved each action call function definition into the header file of ...


Mon, 26 Jul 2010 17:34:11 GMT Frederik Heber <heber@…> [a8f6ae]
	* src/Actions/ActionCalls.hpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.cpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Actions/WorldAction/InputAction.hpp (modified)
	* src/Actions/WorldAction/OutputAction.cpp (modified)
	* src/Actions/WorldAction/OutputAction.hpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.hpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.cpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.hpp (modified)

	All WorldActions contain now a ActionCall.hpp function.


Mon, 26 Jul 2010 17:15:18 GMT Frederik Heber <heber@…> [628b52]
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (modified)

	All TesselationsActions contain now a ActionCall.hpp function.


Mon, 26 Jul 2010 17:15:04 GMT Frederik Heber <heber@…> [3b7dfb]
	* src/Actions/SelectionAction/AllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/AllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/AllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/AllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/AtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/MoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/MoleculeByIdAction.hpp (modified)
	* src/Actions/SelectionAction/NotAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/NotAllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/NotAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/NotAllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/NotAtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/NotAtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.hpp (modified)

	All SelectionActions contain now a ActionCall.hpp function.


Mon, 26 Jul 2010 17:05:46 GMT Frederik Heber <heber@…> [215b89]
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.hpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.hpp (modified)

	All ParserActions contain now a ActionCall.hpp function.


Mon, 26 Jul 2010 17:03:48 GMT Frederik Heber <heber@…> [1a3c26]
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.hpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.hpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (modified)

	All MoleculeActions contain now a ActionCall.hpp function.


Mon, 26 Jul 2010 16:52:24 GMT Frederik Heber <heber@…> [4ff081]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (modified)

	All FragmentationActions contain now a ActionCall.hpp function.


Mon, 26 Jul 2010 16:47:07 GMT Frederik Heber <heber@…> [ecbc9a]
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.hpp (modified)
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.hpp (modified)
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.hpp (modified)
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/HelpAction.hpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.hpp (modified)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.hpp (modified)

	All CmdActions contain now a ActionCall.hpp function.

	- to have the ...


Mon, 26 Jul 2010 16:41:03 GMT Frederik Heber <heber@…> [1a8fbf6]
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.hpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.hpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.hpp (modified)

	All AtomActions contain now a ActionCall.hpp function.

	- to have ...


Mon, 26 Jul 2010 13:39:27 GMT Frederik Heber <heber@…> [4e4c4d]
	* src/Actions/MapOfActions.cpp (modified)

	Shifted select-.. actions from arguments to actions in ...


Mon, 26 Jul 2010 13:38:38 GMT Frederik Heber <heber@…> [b31cfa]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.hpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.hpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.hpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp (modified)

	All AnalysisActions contain now a ActionCall.hpp function.

	- to ...


Mon, 26 Jul 2010 13:37:29 GMT Frederik Heber <heber@…> [aa3d7a]
	* src/Actions/ActionCalls.hpp (added)
	* src/Actions/Makefile.am (modified)

	ActionCalls.hpp header added that contains concise function calls of ...


Mon, 26 Jul 2010 13:36:09 GMT Frederik Heber <heber@…> [b76394]
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)

	PrincipalAxisSystemAction takes molecule from selection.


Sun, 25 Jul 2010 21:43:56 GMT Frederik Heber <heber@…> [e65de8]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.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)
	* tests/regression/testsuite-analysis.at (modified)

	Fixed all correlations for new selected sets of molecules.

	- ...


Sun, 25 Jul 2010 21:42:34 GMT Frederik Heber <heber@…> [521bbf]
	* src/Actions/SelectionAction/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/AtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/MoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/MoleculeByIdAction.hpp (modified)
	* src/Actions/SelectionAction/NotAtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/NotAtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.hpp (modified)

	DOCUFIX: Filename in header was missing ...Action.[ch]pp.


Sun, 25 Jul 2010 21:41:34 GMT Frederik Heber <heber@…> [e472eab]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/SelectionAction/AllAtomsAction.cpp (added)
	* src/Actions/SelectionAction/AllAtomsAction.hpp (added)
	* src/Actions/SelectionAction/AllMoleculesAction.cpp (added)
	* src/Actions/SelectionAction/AllMoleculesAction.hpp (added)
	* src/Actions/SelectionAction/NotAllAtomsAction.cpp (added)
	* src/Actions/SelectionAction/NotAllAtomsAction.hpp (added)
	* src/Actions/SelectionAction/NotAllMoleculesAction.cpp (added)
	* src/Actions/SelectionAction/NotAllMoleculesAction.hpp (added)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added new all/none selection actions for atoms and molecules.

	- new ...


Sun, 25 Jul 2010 19:39:22 GMT Frederik Heber <heber@…> [1d9b7d2]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	TESTFIX: Tesselation/* all needed replacement of option --molecule- ...


Sun, 25 Jul 2010 19:29:18 GMT Frederik Heber <heber@…> [5b5c4d]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	TESTFIX: Molecules/* all needed replacement of option --molecule-by- ...


Sun, 25 Jul 2010 19:18:27 GMT Frederik Heber <heber@…> [8467df]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/Values.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)

	BUGFIX: BoxValue were upper not lower tridiagonal.

	Due to pcp's ...


Sun, 25 Jul 2010 19:12:45 GMT Frederik Heber <heber@…> [120088]
	* src/Actions/MapOfActions.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	TESTFIX: Simple_configuration/5 needs select-atom-by-id in front of ...


Sun, 25 Jul 2010 19:10:44 GMT Frederik Heber <heber@…> [023971]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	TESTFIX: Simple_configuration/4 now needs select-atom-by-id in front.


Sun, 25 Jul 2010 19:07:06 GMT Frederik Heber <heber@…> [533838]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/SelectionAction/AtomByIdAction.cpp (added)
	* src/Actions/SelectionAction/AtomByIdAction.hpp (added)
	* src/Actions/SelectionAction/MoleculeByIdAction.cpp (added)
	* src/Actions/SelectionAction/MoleculeByIdAction.hpp (added)
	* src/Actions/SelectionAction/NotAtomByIdAction.cpp (added)
	* src/Actions/SelectionAction/NotAtomByIdAction.hpp (added)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (added)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.hpp (added)
	* src/CommandLineParser.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Merge branch 'SelectionActions' into ...


Sun, 25 Jul 2010 18:24:40 GMT Frederik Heber <heber@…> [8d4100]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)

	BUGFIX: AtomChangeElementAction wrongly expected vector of elements ...


Sun, 25 Jul 2010 18:14:09 GMT Frederik Heber <heber@…> [39b639]
	* src/Actions/MapOfActions.cpp (modified)

	Lots of small fixes to MapOfActions:

	- MapOfActions::TypeEnumMap ...


Sun, 25 Jul 2010 18:11:53 GMT Frederik Heber <heber@…> [8bc733]
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)

	BoxQuery contains Box not double[6].

	- BUGFIX: ...


Sun, 25 Jul 2010 18:11:02 GMT Frederik Heber <heber@…> [3037be]
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)

	WorldChangeBoxAction::performCall() - don't need cell_size from the ...


Sun, 25 Jul 2010 18:06:17 GMT Frederik Heber <heber@…> [0ae36b]
	* src/Box.cpp (modified)

	Box::isInside() now uses MYEPSILON as additional boundary of the ...


Sun, 25 Jul 2010 18:05:31 GMT Frederik Heber <heber@…> [85537a]
	* src/Actions/AtomAction/AddAction.cpp (modified)

	BUGFIX: AtomAddAction::performCall() expect vector of elements ...


Sun, 25 Jul 2010 18:04:24 GMT Frederik Heber <heber@…> [e2f3114]
	* src/Actions/Action.cpp (modified)

	MissingValueException is not caught in Action::call() anymore.


Sun, 25 Jul 2010 15:07:42 GMT Frederik Heber <heber@…> [7cd6e7]
	* 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/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)

	Add all possible versions of queries where the user is asked for ...


Sun, 25 Jul 2010 15:07:07 GMT Frederik Heber <heber@…> [0ff6b5]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)

	Box::isInside() function added to check whether a given vector is ...


Sun, 25 Jul 2010 15:06:27 GMT Frederik Heber <heber@…> [85f35e]
	* src/Actions/MapOfActions.hpp (modified)

	BUGFIX: setCurrentValue was not correctly templated.


Fri, 23 Jul 2010 17:30:57 GMT Frederik Heber <heber@…> [0b0a20]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Exceptions/MissingValueException.cpp (added)
	* src/Exceptions/MissingValueException.hpp (added)

	Inserted all possible queries into MapOfActions.

	- ...


Fri, 23 Jul 2010 17:30:12 GMT Frederik Heber <heber@…> [dde125]
	* src/Actions/WorldAction/SetOutputFormatsAction.cpp (modified)

	SetOutputFormatsAction says which format it could not understand.


Fri, 23 Jul 2010 17:29:39 GMT Frederik Heber <heber@…> [eeacbc]
	* src/UIElements/ValueStorage.cpp (modified)

	BUGFIX: ValueStorage::getDescription did not return the string from ...


Fri, 23 Jul 2010 17:28:56 GMT Frederik Heber <heber@…> [6bf52f]
	* src/Actions/Action.hpp (modified)

	BUGFIX: default flag of call was NonInteractive instead of
	Interactive.


Fri, 23 Jul 2010 16:28:28 GMT Frederik Heber <heber@…> [4e145c]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Makefile.am (modified)

	Actions can now be called non-interactively, MissingValueException ...


Fri, 23 Jul 2010 16:23:13 GMT Frederik Heber <heber@…> [655c98]
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/MethodAction.cpp (modified)

	Some derived Actions lacked return NULL in createDialog().

	- ...


Thu, 22 Jul 2010 22:02:54 GMT Frederik Heber <heber@…> [358577]
	* src/World.cpp (modified)

	Fixed used iterators in World::countSelected..() functions.


Thu, 22 Jul 2010 22:02:37 GMT Frederik Heber <heber@…> [c46d63]
	* src/UIElements/Menu/TextMenu.cpp (modified)
	* src/UIElements/Menu/TextMenu.hpp (modified)

	TextMenu::LeaveAction still lacked createDialog().


Thu, 22 Jul 2010 22:02:01 GMT Frederik Heber <heber@…> [3731b4]
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (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/TextUI/TextDialog.cpp (modified)

	Fixed remainder of Dialog and derived classes for still present ...


Thu, 22 Jul 2010 22:00:57 GMT Frederik Heber <heber@…> [7cd469]
	* src/Actions/MapOfActions.hpp (modified)

	Using ostringstream to convert all templated values in ...


Thu, 22 Jul 2010 22:00:15 GMT Frederik Heber <heber@…> [30db64]
	* src/Exceptions/IllegalTypeException.cpp (modified)

	FIX: IllegalTypeException had wrong base constructor call (Math ...


Thu, 22 Jul 2010 21:59:37 GMT Frederik Heber <heber@…> [80951de]
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/ActionHistory.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/unittests/ActionSequenceTest.cpp (modified)

	Fixed all remaining Action's and derived classes that lacked ...


Thu, 22 Jul 2010 21:29:39 GMT Frederik Heber <heber@…> [4c5aaf]
	* src/UIElements/ValueStorage.cpp (modified)
	* src/UIElements/ValueStorage.hpp (modified)

	Some fixes to class ValueStorage.

	- it's _std::_string


Thu, 22 Jul 2010 21:27:52 GMT Frederik Heber <heber@…> [3e54d0]
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.hpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)

	converted VersionAction to new createDialog() and implemented trivial ...


Thu, 22 Jul 2010 21:22:18 GMT Frederik Heber <heber@…> [ff22c5]
	* src/Actions/WorldAction/SetOutputFormatsAction.cpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.hpp (modified)

	converted SetOutputFormatsAction to new createDialog().


Thu, 22 Jul 2010 21:20:19 GMT Frederik Heber <heber@…> [aee3b1]
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (modified)

	converted SetGaussianBasisAction to new createDialog() and ...


Thu, 22 Jul 2010 21:16:38 GMT Frederik Heber <heber@…> [792597]
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (modified)

	converted SetDefaultNameAction to new createDialog() and implemented ...


Thu, 22 Jul 2010 21:12:42 GMT Frederik Heber <heber@…> [22e780]
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (modified)

	converted ScaleBoxAction to new createDialog().


Thu, 22 Jul 2010 21:11:25 GMT Frederik Heber <heber@…> [bfe2c2]
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (modified)

	converted RepeatBoxAction to new createDialog().


Thu, 22 Jul 2010 21:10:03 GMT Frederik Heber <heber@…> [9a9b2a]
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.hpp (modified)

	converted RemoveSphereOfAtomsAction to new createDialog().


Thu, 22 Jul 2010 21:08:38 GMT Frederik Heber <heber@…> [37c282]
	* src/Actions/WorldAction/OutputAction.cpp (modified)
	* src/Actions/WorldAction/OutputAction.hpp (modified)

	converted OutputAction to new createDialog().


Thu, 22 Jul 2010 21:07:35 GMT Frederik Heber <heber@…> [7882e9]
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Actions/WorldAction/InputAction.hpp (modified)

	converted InputAction to new createDialog().


Thu, 22 Jul 2010 21:06:09 GMT Frederik Heber <heber@…> [1ba67d]
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (modified)

	converted CenterOnEdgeAction to new createDialog().


Thu, 22 Jul 2010 21:04:59 GMT Frederik Heber <heber@…> [8da96a]
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (modified)

	converted ChangeBoxAction to new createDialog().


Thu, 22 Jul 2010 21:03:25 GMT Frederik Heber <heber@…> [4aece0]
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (modified)

	converted CenterInBoxAction to new createDialog().


Thu, 22 Jul 2010 21:00:40 GMT Frederik Heber <heber@…> [805636]
	* src/Actions/WorldAction/BoundInBoxAction.cpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (modified)

	converted BoundInBoxAction to new createDialog().


Thu, 22 Jul 2010 20:59:33 GMT Frederik Heber <heber@…> [afd9f3]
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (modified)

	converted AddEmptyBoundaryAction to new createDialog().


Thu, 22 Jul 2010 20:57:58 GMT Frederik Heber <heber@…> [ff4fd2a]
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (modified)

	converted NonConvexEnvelopeAction to new createDialog().


Thu, 22 Jul 2010 20:56:43 GMT Frederik Heber <heber@…> [8ae5d5]
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (modified)

	converted ConvexEnvelopeAction to new createDialog().


Thu, 22 Jul 2010 20:52:46 GMT Frederik Heber <heber@…> [ce8755]
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.hpp (modified)

	converted SaveXyzAction to new createDialog().


Thu, 22 Jul 2010 20:50:59 GMT Frederik Heber <heber@…> [0454de]
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.hpp (modified)

	converted LoadXyzAction to new createDialog().


Thu, 22 Jul 2010 20:48:46 GMT Frederik Heber <heber@…> [bcd16a]
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (modified)

	converted VerletIntegrationAction to new createDialog().


Thu, 22 Jul 2010 20:47:06 GMT Frederik Heber <heber@…> [a20fb9]
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.hpp (modified)

	converted TranslateAction to new createDialog().


Thu, 22 Jul 2010 20:45:04 GMT Frederik Heber <heber@…> [b9b26b]
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (modified)

	converted SuspendInWaterAction to new createDialog().


Thu, 22 Jul 2010 20:42:19 GMT Frederik Heber <heber@…> [09cf39]
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (modified)

	converted SaveTemperatureAction to new createDialog().


Thu, 22 Jul 2010 20:40:47 GMT Frederik Heber <heber@…> [fdf198]
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (modified)

	converted SaveBondsAction to new createDialog().


Thu, 22 Jul 2010 20:39:15 GMT Frederik Heber <heber@…> [e58fad1]
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (modified)

	converted SaveAdjacencyAction to new createDialog().


Thu, 22 Jul 2010 20:37:24 GMT Frederik Heber <heber@…> [845613]
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (modified)

	converted RotateToPrincipalAxisSystemAction to new createDialog().


Thu, 22 Jul 2010 20:37:17 GMT Frederik Heber <heber@…> [620fe5]
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (modified)

	converted LinearInterpolationofTrajectoriesAction to new
	createDialog().


Thu, 22 Jul 2010 20:31:41 GMT Frederik Heber <heber@…> [a001b7]
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (modified)

	converted FillWithMoleculeAction to new createDialog().


Thu, 22 Jul 2010 20:28:53 GMT Frederik Heber <heber@…> [5bc8520]
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)

	converted ChangeNameAction to new createDialog().


Thu, 22 Jul 2010 20:28:45 GMT Frederik Heber <heber@…> [eacc3b]
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	converted BondFileAction to new createDialog().

	- new functions ...


Thu, 22 Jul 2010 20:16:32 GMT Frederik Heber <heber@…> [1015fd]
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (modified)

	converted SubgraphDissectionAction to new createDialog().


Thu, 22 Jul 2010 20:15:02 GMT Frederik Heber <heber@…> [70d9b9]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (modified)

	converted FragmentationAction to new createDialog() and implemented ...


Thu, 22 Jul 2010 20:11:36 GMT Frederik Heber <heber@…> [f394a6]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (modified)

	converted DepthFirstSearchAction to createDialog() and implemented ...


Thu, 22 Jul 2010 20:09:33 GMT Frederik Heber <heber@…> [2dfeeb]
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/HelpAction.hpp (modified)

	converted HelpAction to new createDialog() and implemented trivial ...


Thu, 22 Jul 2010 20:07:51 GMT Frederik Heber <heber@…> [1d2d177]
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.hpp (modified)

	converted VerboseAction to new createDialog() and implemented
	Undo/Redo.


Thu, 22 Jul 2010 20:03:45 GMT Frederik Heber <heber@…> [ccf31f]
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.hpp (modified)

	converted FastParsingAction to new createDialog() and implemented ...


Thu, 22 Jul 2010 19:59:36 GMT Frederik Heber <heber@…> [a12e8e]
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.hpp (modified)

	converted ElementDbAction to new createDialog().


Thu, 22 Jul 2010 19:57:57 GMT Frederik Heber <heber@…> [bb2b2c]
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.hpp (modified)

	converted BondLengthTableAction to new createDialog().


Thu, 22 Jul 2010 19:56:02 GMT Frederik Heber <heber@…> [5cb3cb]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.hpp (modified)

	converted RemoveAction to new createDialog() and uses selectedAtoms.


Thu, 22 Jul 2010 19:55:55 GMT Frederik Heber <heber@…> [454065]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.hpp (modified)

	Changed ChangeElementAction to new createDialog() and uses
	selectedAtoms.


Thu, 22 Jul 2010 19:45:26 GMT Frederik Heber <heber@…> [9d33ba]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.hpp (modified)
	* src/UIElements/ValueStorage.cpp (modified)
	* src/UIElements/ValueStorage.hpp (modified)

	Added ValueStorage::getDescription(), i.e. now all occurences of ...


Thu, 22 Jul 2010 19:38:03 GMT Frederik Heber <heber@…> [ca1ba5]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)

	Adapted dialog->query...() calls of all CorrelationAction()s to ...


Thu, 22 Jul 2010 19:37:46 GMT Frederik Heber <heber@…> [75dc28]
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/Makefile.am (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/ValueStorage.cpp (added)
	* src/UIElements/ValueStorage.hpp (added)

	Dialog->query...() don't need a _target anymore,

	- new class ...


Thu, 22 Jul 2010 19:11:35 GMT Frederik Heber <heber@…> [d02e07]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.hpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (added)
	* src/Actions/AnalysisAction/PointCorrelationAction.hpp (added)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (added)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp (added)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)

	Split PairCorrelation into Pair, Point and SurfaceCorrelation.

	- ...


Thu, 22 Jul 2010 17:57:15 GMT Frederik Heber <heber@…> [0c9cc3]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.hpp (modified)

	MolecularVolumeAction rewritten to new createDialog().


Thu, 22 Jul 2010 17:53:44 GMT Frederik Heber <heber@…> [ab9a27]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Exceptions/IllegalTypeException.cpp (added)
	* src/Exceptions/IllegalTypeException.hpp (added)
	* src/Makefile.am (modified)

	MapOfActions::TypeMap now contains type_info.

	We are going to use ...


Thu, 22 Jul 2010 17:53:21 GMT Frederik Heber <heber@…> [ba7418]
	* src/Actions/Action.hpp (modified)

	new virtual function Action::createDialog().


Thu, 22 Jul 2010 16:11:07 GMT Frederik Heber <heber@…> [e2009b]
	* src/Actions/Makefile.am (modified)
	* src/Actions/SelectionAction/AtomByIdAction.cpp (added)
	* src/Actions/SelectionAction/AtomByIdAction.hpp (added)
	* src/Actions/SelectionAction/MoleculeByIdAction.cpp (added)
	* src/Actions/SelectionAction/MoleculeByIdAction.hpp (added)
	* src/Actions/SelectionAction/NotAtomByIdAction.cpp (added)
	* src/Actions/SelectionAction/NotAtomByIdAction.hpp (added)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (added)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.hpp (added)

	Added a number of SelectionActions.

	- (un)select atom/molecule.
	- ...


Thu, 22 Jul 2010 14:09:53 GMT Frederik Heber <heber@…> [e0e156]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added World::isSelected() for selectedAtoms and selectedMolecules.


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:
	        ...


Tue, 20 Jul 2010 10:20:49 GMT Frederik Heber <heber@…> [818eda]
	* src/Descriptors/MoleculeSelectionDescriptor.cpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor.hpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (added)

	Till forgot to add new MoleculeSelectionDescriptor files.


Fri, 16 Jul 2010 13:11:45 GMT Tillmann Crueger <crueger@…> [cf0ca1]
	* src/Makefile.am (modified)
	* src/World.hpp (modified)

	Added Descriptors that allow description of all Selected molecules


Fri, 16 Jul 2010 13:02:31 GMT Tillmann Crueger <crueger@…> [48dcbd]
	* src/Descriptors/AtomSelectionDescriptor.cpp (added)
	* src/Descriptors/AtomSelectionDescriptor.hpp (added)
	* src/Descriptors/AtomSelectionDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)

	Added descriptors that allow description of all selected atoms


Fri, 16 Jul 2010 12:46:42 GMT Tillmann Crueger <crueger@…> [8cce2b]
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (modified)

	Made the MoleculeDescriptor and AtomDescriptor use faster STL- ...