#
# ChangeLog for src/bondgraph.hpp
#
# Generated by Trac 1.4.4
# Dec 27, 2024, 9:26:32 AM

Fri, 02 Jul 2010 13:19:32 GMT Tillmann Crueger <crueger@…> [986ed3]
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Exceptions/CustomException.hpp (modified)
	* src/Helpers/Assert.hpp (modified)
	* src/Matrix.hpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Plane.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/atom.hpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/datacreator.hpp (modified)
	* src/element.hpp (modified)
	* src/errorlogger.cpp (modified)
	* src/errorlogger.hpp (modified)
	* src/gslvector.hpp (modified)
	* src/helpers.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.hpp (modified)

	COMPILE_SPEEDUP: Replaced all implicit inclusions of iostream with ...


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.
 ...


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

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


Fri, 19 Mar 2010 15:42:58 GMT Frederik Heber <heber@…> [f18185]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)

	Implemented counting of bonds over all atoms.

	- new functions in ...


Thu, 18 Mar 2010 15:38:56 GMT Frederik Heber <heber@…> [1cbf47]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)

	Introduced CountHydrogenBridgeBonds() function.

	- ...


Thu, 18 Mar 2010 11:39:21 GMT Frederik Heber <heber@…> [b48ba6]
	* src/bondgraph.hpp (modified)
	* src/defs.hpp (modified)

	Shifted BONDTHRESHOLD from defs.hpp over to bondgraph.hpp and lowered ...


Wed, 04 Nov 2009 19:56:04 GMT Frederik Heber <heber@…> [e138de]
	* src/Makefile.am (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_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_graphnode.hpp (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/element.cpp (modified)
	* src/element.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/ellipsoid.hpp (modified)
	* src/errorlogger.cpp (moved)
	* src/errorlogger.hpp (moved)
	* src/graph.cpp (modified)
	* src/graph.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/log.cpp (modified)
	* src/log.hpp (modified)
	* src/logger.cpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/molecule_template.hpp (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/tesselationhelpers.hpp (modified)
	* src/test/ActOnAlltest.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/stackclassunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)

	Huge change from ofstream * (const) out --> Log().

	- first shift ...


Tue, 03 Nov 2009 16:34:31 GMT Frederik Heber <heber@…> [3c349b]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)

	"not working parsed molecule into subgraph splitting"-BUG fixed, ...


Tue, 03 Nov 2009 14:34:02 GMT Frederik Heber <heber@…> [ae38fb]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

	Fixing not created adjacency list, partially fixing subgraph ...


Fri, 30 Oct 2009 09:05:30 GMT Frederik Heber <heber@…> [b70721]
	* src/Makefile.am (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/bondgraph.cpp (added)
	* src/bondgraph.hpp (added)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (added)
	* src/unittests/bondgraphunittest.hpp (added)

	New class BondGraph.

	- BondGraph parses a file containing bond ...