#
# ChangeLog for src/Box.cpp
#
# Generated by Trac 1.6
# May 15, 2025, 8:08:48 AM

Wed, 28 Jul 2010 09:35:44 GMT Tillmann Crueger <crueger@…> [400170]
	* .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 'StructureRefactoring' into Shapes


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 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 ...


Wed, 21 Jul 2010 07:49:33 GMT Tillmann Crueger <crueger@…> [3d078d]
	* COPYING (modified)
	* ChangeLog (modified)
	* README (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Box.cpp (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/Makefile.am (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/regression/Domain/6/post/test-x.xyz (moved)
	* tests/regression/Domain/6/post/test-y.xyz (moved)
	* tests/regression/Domain/6/post/test-z.xyz (moved)
	* tests/regression/Domain/6/post/test.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment0.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment1.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment2.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment3.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment4.xyz (moved)
	* tests/regression/Molecules/6/post/test2.conf (moved)
	* tests/regression/Molecules/6/pre/test2.conf (added)
	* tests/regression/Simple_configuration/2/post/test.in (moved)
	* tests/regression/Simple_configuration/2/post/test.xyz (moved)
	* tests/regression/Simple_configuration/3/post/test.in (moved)
	* tests/regression/Simple_configuration/3/post/test.xyz (moved)
	* tests/regression/Simple_configuration/3/post/test2.conf (moved)
	* tests/regression/Simple_configuration/3/post/test2.in (added)
	* tests/regression/Simple_configuration/3/post/test2.xyz (added)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (deleted)
	* tests/regression/Simple_configuration/4/post/test.xyz (added)
	* tests/regression/Simple_configuration/4/pre/test.xyz (added)
	* tests/regression/Simple_configuration/5/post/test.in (moved)
	* tests/regression/Simple_configuration/5/post/test.xyz (moved)
	* tests/regression/Simple_configuration/8/post/test.xyz (moved)
	* tests/regression/Simple_configuration/8/post/test.xyz-sorted (added)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Merge branch 'stable' into Shapes


Thu, 15 Jul 2010 14:14:42 GMT Tillmann Crueger <crueger@…> [3bf9e2]
	* src/Box.cpp (modified)

	Replaced check for Symmetric matrix in Box class with check for ...


Thu, 15 Jul 2010 13:50:54 GMT Tillmann Crueger <crueger@…> [c538d1]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)

	Added a method that allows producing a Shape from a box


Fri, 02 Jul 2010 09:36:29 GMT Tillmann Crueger <crueger@…> [7ac4af]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)

	Added an optimized version of the Box::explode() method for n=1


Fri, 02 Jul 2010 09:28:10 GMT Tillmann Crueger <crueger@…> [a630fd]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)

	Made the Box::explode() method take an aditional parameters ...


Thu, 01 Jul 2010 13:44:39 GMT Tillmann Crueger <crueger@…> [014475]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)
	* src/VectorSet.hpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Made all places use the periodicDistance() and ...


Thu, 01 Jul 2010 12:44:37 GMT Tillmann Crueger <crueger@…> [12cf773]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)
	* src/VectorSet.hpp (modified)

	Added a define that makes the definition of VectorSets simpler


Wed, 30 Jun 2010 16:46:53 GMT Tillmann Crueger <crueger@…> [527de2]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)

	Added a function that allows to find the closest periodic point in a
	Box


Wed, 30 Jun 2010 16:17:24 GMT Tillmann Crueger <crueger@…> [89e820]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)

	Added a function that allows an expansion of a Point into its 27 ...


Wed, 30 Jun 2010 15:39:55 GMT Tillmann Crueger <crueger@…> [f429d7]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Move Vector::WrapPeriodically to Box class


Wed, 30 Jun 2010 15:16:10 GMT Tillmann Crueger <crueger@…> [3dcb1f]
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)
	* src/unittests/LineUnittest.cpp (modified)
	* src/unittests/PlaneUnittest.cpp (modified)
	* src/unittests/linearsystemofequationsunittest.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)

	Added two functions to Box class to translate Vectors from Box-Space ...


Wed, 30 Jun 2010 14:41:46 GMT Tillmann Crueger <crueger@…> [6e00dd]
	* src/Box.cpp (modified)

	Added check for symmetricity in Box::setM()


Wed, 30 Jun 2010 10:21:12 GMT Tillmann Crueger <crueger@…> [7579a4b]
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)

	Added Copy constructor and Assignment operator to Box class


Wed, 30 Jun 2010 09:42:58 GMT Tillmann Crueger <crueger@…> [83c09a]
	* src/Box.cpp (added)
	* src/Box.hpp (added)
	* src/Makefile.am (modified)

	Added a basic Box class to store cell_size as well as inverse of ...