#
# ChangeLog for src/World.hpp
#
# Generated by Trac 1.4.4
# Apr 15, 2025, 12:28:09 PM

Fri, 30 Jul 2010 13:07:00 GMT Tillmann Crueger <crueger@…> [4d72e4]
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Made the World use the new mixin for sets of atoms


Wed, 28 Jul 2010 09:21:14 GMT Tillmann Crueger <crueger@…> [677e13]
	* .gitignore (added)
	* configure.ac (modified)
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/ActionHistory.hpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* 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 (added)
	* src/Actions/AnalysisAction/PointCorrelationAction.hpp (added)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (added)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp (added)
	* 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)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* 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)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* 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)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* 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)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.hpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.hpp (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/AtomByIdAction.cpp (added)
	* src/Actions/SelectionAction/AtomByIdAction.hpp (added)
	* src/Actions/SelectionAction/MoleculeByIdAction.cpp (added)
	* src/Actions/SelectionAction/MoleculeByIdAction.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/Actions/SelectionAction/NotAtomByIdAction.cpp (added)
	* src/Actions/SelectionAction/NotAtomByIdAction.hpp (added)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (added)
	* src/Actions/SelectionAction/NotMoleculeByIdAction.hpp (added)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (modified)
	* src/Actions/Values.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)
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)
	* src/CommandLineParser.cpp (modified)
	* src/Exceptions/IllegalTypeException.cpp (added)
	* src/Exceptions/IllegalTypeException.hpp (added)
	* src/Exceptions/MissingValueException.cpp (added)
	* src/Exceptions/MissingValueException.hpp (added)
	* src/Makefile.am (modified)
	* 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/Menu/TextMenu.cpp (modified)
	* src/UIElements/Menu/TextMenu.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)
	* src/UIElements/ValueStorage.cpp (added)
	* src/UIElements/ValueStorage.hpp (added)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/unittests/ActionSequenceTest.cpp (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)
	* test_all.sh (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/regression/Simple_configuration/3/post/test2.conf (deleted)
	* tests/regression/Simple_configuration/3/post/test2.in (deleted)
	* tests/regression/Simple_configuration/3/post/test2.xyz (deleted)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-fragmentation.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Merge branch 'stable' into StructureRefactoring

	Conflicts:
	        ...


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 19:07:06 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 ...


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

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


Thu, 22 Jul 2010 14:08:22 GMT Tillmann Crueger <crueger@…> [dc11c9]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Made the id-pools in the World use range objects


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 10:58:56 GMT Tillmann Crueger <crueger@…> [41aa39]
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/World.hpp (modified)

	Made MoleculeIdDescriptor and AtomIdDescriptor faster by avoiding ...


Fri, 16 Jul 2010 10:43:38 GMT Tillmann Crueger <crueger@…> [3839e5]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added iterators over selected atoms and molecules


Fri, 16 Jul 2010 10:34:12 GMT Tillmann Crueger <crueger@…> [61d655e]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added methods for unselecting molecules and atoms


Thu, 15 Jul 2010 15:30:55 GMT Tillmann Crueger <crueger@…> [90c4280]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added several methods for selecting specific atoms in the World


Thu, 15 Jul 2010 14:24:04 GMT Tillmann Crueger <crueger@…> [1a76a6]
	* src/World.hpp (modified)

	Removed public direct access to Atoms from world


Wed, 14 Jul 2010 12:00:29 GMT Tillmann Crueger <crueger@…> [5d880e]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Allowed observed access to iterators on Molecules


Wed, 14 Jul 2010 11:53:16 GMT Tillmann Crueger <crueger@…> [e3d865]
	* src/Patterns/ObservedContainer.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Madet the internal iterators provided by the world unobserved


Wed, 14 Jul 2010 10:36:29 GMT Tillmann Crueger <crueger@…> [51be2a]
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Made iterator access to the molecules observed


Sat, 10 Jul 2010 14:55:16 GMT Tillmann Crueger <crueger@…> [b99bf3]
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Patterns/ObservedContainer.hpp (added)
	* src/Patterns/ObservedContainer_impl.hpp (added)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Moved the observedContainer templates to the Pattern directory


Sat, 10 Jul 2010 14:46:51 GMT Tillmann Crueger <crueger@…> [4ef9b7]
	* src/World.hpp (modified)

	Made the observed sets for Atoms more abstract using template
	mechanisms


Thu, 08 Jul 2010 16:04:11 GMT Tillmann Crueger <crueger@…> [127a8e]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/defs.hpp (modified)

	Improved managing of Ids in the World

	- Improved algorithm for ...


Thu, 08 Jul 2010 12:51:15 GMT Tillmann Crueger <crueger@…> [fa0b18]
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added Observed and Selectiv iterators over internal Structures of the ...


Wed, 30 Jun 2010 13:55:42 GMT Tillmann Crueger <crueger@…> [84c494]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.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/Parser/PcpParser.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/boundary.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)

	Made the world store the cell_size within a Box object.


Sat, 12 Jun 2010 15:54:26 GMT Frederik Heber <heber@…> [43dad6]
	* src/ConfigFileBuffer.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (added)
	* src/Parser/MpqcParser.hpp (added)
	* src/Parser/PcpParser.cpp (added)
	* src/Parser/PcpParser.hpp (added)
	* src/ThermoStatContainer.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)

	Introducing (but not yet incorporated) FormatParser specializations ...


Fri, 11 Jun 2010 12:19:27 GMT Frederik Heber <heber@…> [387b36]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)

	Case 'X' is now handled by CommandLineUI, World::get/setDefaultName() ...


Tue, 08 Jun 2010 13:49:27 GMT Frederik Heber <heber@…> [e4b5de]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (deleted)
	* tests/regression/testsuite-fragmentation.at (modified)

	Case 'f' is now handled by CommandLineUI.

	- ...


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.
 ...


Sat, 08 May 2010 20:34:05 GMT Frederik Heber <heber@…> [8e1f7af]
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)

	class config added to World.

	- World now has the global ...


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
 ...


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


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 ...


Thu, 04 Mar 2010 16:03:57 GMT Tillmann Crueger <crueger@…> [31af19]
	* src/World.hpp (modified)

	Made the World Iterators conform to STL-Structure


Wed, 03 Mar 2010 17:47:40 GMT Tillmann Crueger <crueger@…> [88d586]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)

	Added mechanisms that allow reuse of IDs and changing Ids of Atoms


Wed, 03 Mar 2010 15:46:03 GMT Tillmann Crueger <crueger@…> [1c51c8]
	* src/Descriptors/MoleculeDescriptor.cpp (added)
	* src/Descriptors/MoleculeDescriptor.hpp (added)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/WorldIterators.cpp (modified)
	* src/molecule_template.hpp (modified)

	Added methods for querying molecules using descriptors


Wed, 03 Mar 2010 14:53:07 GMT Frederik Heber <heber@…> [046783]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

	Default molecule name can be set via command line, BUGFIX: ...


Wed, 03 Mar 2010 10:13:19 GMT Frederik Heber <heber@…> [b34306]
	* src/Makefile.am (modified)
	* src/World.cpp (added)
	* src/World.hpp (added)
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/vector.cpp (modified)

	singleton class World introduced, contains only cell_size from class ...


Fri, 26 Feb 2010 12:40:52 GMT Tillmann Crueger <crueger@…> [24a5e0]
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/Process.cpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor_impl.hpp (modified)
	* 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/UIElements/Dialog.cpp (modified)
	* src/UIElements/TextDialog.cpp (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 (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/boundary.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Added -Wall flag and fixed several small hickups


Fri, 26 Feb 2010 11:47:16 GMT Tillmann Crueger <crueger@…> [7042f45]
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.hpp (modified)
	* src/Descriptors/AtomIdDescriptor_impl.hpp (modified)
	* src/World.hpp (modified)
	* src/defs.hpp (modified)

	Changed the type of AtomIds and MoleculeIds to an opaque type


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 10:50:54 GMT Tillmann Crueger <crueger@…> [d2dbac0]
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/WorldIterators.cpp (added)

	moved Iterators for the World to a seperate file


Thu, 25 Feb 2010 10:32:14 GMT Tillmann Crueger <crueger@…> [0e2a47]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/World_calculations.hpp (modified)

	Added overloaded methods for all methods in the world taking an ...


Wed, 24 Feb 2010 16:44:58 GMT Tillmann Crueger <crueger@…> [02ee15]
	* src/World.hpp (modified)

	Improved documentation of the World-class


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 13:21:35 GMT Tillmann Crueger <crueger@…> [865a945]
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor_impl.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added iterator structure that allows iterating over selected atoms in ...


Tue, 16 Feb 2010 17:26:59 GMT Tillmann Crueger <crueger@…> [354859]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)

	Moved control of molecules and periode to World.


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 16:26:18 GMT Tillmann Crueger <crueger@…> [fc1b24]
	* src/Descriptors/AtomDescriptor.cpp (added)
	* src/Descriptors/AtomDescriptor.hpp (added)
	* src/Descriptors/AtomIdDescriptor.cpp (added)
	* src/Descriptors/AtomIdDescriptor.hpp (added)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added descriptors that allow multiple kinds of access to atoms


Fri, 05 Feb 2010 15:19:27 GMT Tillmann Crueger <crueger@…> [d346b6]
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)

	Made all atoms register themselves with the world upon creation


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 16:02:14 GMT Tillmann Crueger <crueger@…> [5d1611]
	* src/Makefile.am (modified)
	* src/World.cpp (added)
	* src/World.hpp (added)

	Started development of World Class