#
# ChangeLog for src/Atom/AtomicInfo.hpp
#
# Generated by Trac 1.4.4
# Dec 29, 2024, 5:36:35 PM

Tue, 10 Feb 2015 14:09:08 GMT Frederik Heber <heber@…> [c26617]
	* src/Atom/AtomicInfo.cpp (modified)
	* src/Atom/AtomicInfo.hpp (modified)
	* src/Bond/BondInfo.cpp (modified)
	* tests/regression/Molecules/Remove/post/water_box.pdb (modified)

	Undoing atom/molecule removal will also recreate bonds.

	- TESTFIX: ...


Wed, 20 Aug 2014 12:58:29 GMT Frederik Heber <heber@…> [7e51e1]
	* src/Actions/UndoRedoHelpers.cpp (modified)
	* src/Actions/UndoRedoHelpers.hpp (modified)
	* src/Atom/AtomicInfo.cpp (modified)
	* src/Atom/AtomicInfo.hpp (modified)
	* src/Atom/TesselPoint.cpp (modified)
	* src/Atom/TesselPoint.hpp (modified)
	* src/Atom/atom.cpp (modified)
	* src/Atom/atom.hpp (modified)
	* src/Atom/atom_atominfo.cpp (modified)
	* src/Atom/atom_atominfo.hpp (modified)
	* src/Atom/atom_bondedparticleinfo.cpp (modified)
	* src/Atom/atom_bondedparticleinfo.hpp (modified)

	Extended UndoRedoHelpers.

	- added removeLastStep(), addNewStep(). ...


Thu, 05 Apr 2012 15:57:20 GMT Frederik Heber <heber@…> [5cdd83]
	* src/Atom/AtomicInfo.hpp (modified)

	FIX: AtomicInfo.hpp lacked some inclusions, had only forward ...


Thu, 05 Apr 2012 15:55:48 GMT Frederik Heber <heber@…> [2034f3]
	* src/Atom/AtomicInfo.cpp (modified)
	* src/Atom/AtomicInfo.hpp (modified)
	* src/Atom/atom_atominfo.cpp (modified)
	* src/Atom/atom_atominfo.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/XmlParser.cpp (modified)
	* src/Parser/unittests/Makefile.am (modified)
	* src/Parser/unittests/ParserXmlUnitTest.cpp (modified)
	* tests/regression/Filling/FillVoidWithMolecule/post/tensid.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/pre/tensid.potentials (added)
	* tests/regression/Molecules/Copy/post/tensid-undo.data (deleted)
	* tests/regression/Molecules/Copy/post/tensid.data (modified)
	* tests/regression/Molecules/Copy/pre/tensid.data (modified)
	* tests/regression/Molecules/Copy/pre/tensid.potentials (modified)
	* tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (modified)
	* tests/regression/Molecules/CreateMicelle/post/tensid.data (modified)
	* tests/regression/Molecules/CreateMicelle/pre/tensid.data (modified)
	* tests/regression/Molecules/CreateMicelle/pre/tensid.potentials (modified)

	Added AtomInfo::charge along with getter and setter.

	- charge is ...


Fri, 17 Feb 2012 15:24:18 GMT Frederik Heber <heber@…> [560bbe]
	* src/Atom/AtomicInfo.cpp (modified)
	* src/Atom/AtomicInfo.hpp (modified)
	* src/Atom/atom.cpp (modified)
	* src/Atom/atom.hpp (modified)
	* src/documentation/constructs/molecules.dox (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* tests/regression/Tesselation/BigNonConvex/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/BigNonConvex/post/NonConvexEnvelope.r3d (modified)

	AtomicInfo now also (re)stores ParticleInfo::Nr, molecule has own ...


Fri, 17 Feb 2012 15:24:18 GMT Frederik Heber <heber@…> [3867a7]
	* src/Atom/AtomicInfo.cpp (modified)
	* src/Atom/AtomicInfo.hpp (modified)
	* src/Atom/atom.cpp (modified)

	AtomicInfo now stores Father by id not ref.

	- this migh have caused ...


Wed, 28 Dec 2011 15:30:06 GMT Frederik Heber <heber@…> [6f0841]
	* src/Actions/AnalysisAction/CalculateMolarMassAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/AtomAction/TranslateAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/CopyAction.cpp (modified)
	* src/Actions/MoleculeAction/CreateMicelleAction.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (modified)
	* src/Actions/ValueStorage.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/unittests/AtomsCalculationUnitTest.cpp (modified)
	* src/Actions/unittests/ManipulateAtomsUnitTest.cpp (modified)
	* src/Analysis/analysis_bonds.cpp (modified)
	* src/Analysis/analysis_correlation.cpp (modified)
	* src/Analysis/analysis_correlation.hpp (modified)
	* src/Analysis/unittests/AnalysisBondsUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/Analysis/unittests/CountBondsUnitTest.cpp (modified)
	* src/Atom/AtomSet.hpp (moved)
	* src/Atom/AtomicInfo.cpp (moved)
	* src/Atom/AtomicInfo.hpp (moved)
	* src/Atom/Makefile.am (added)
	* src/Atom/TesselPoint.cpp (moved)
	* src/Atom/TesselPoint.hpp (moved)
	* src/Atom/atom.cpp (moved)
	* src/Atom/atom.hpp (moved)
	* src/Atom/atom_atominfo.cpp (moved)
	* src/Atom/atom_atominfo.hpp (moved)
	* src/Atom/atom_bondedparticle.cpp (moved)
	* src/Atom/atom_bondedparticle.hpp (moved)
	* src/Atom/atom_bondedparticleinfo.cpp (moved)
	* src/Atom/atom_bondedparticleinfo.hpp (moved)
	* src/Atom/atom_graphnode.cpp (moved)
	* src/Atom/atom_graphnode.hpp (moved)
	* src/Atom/atom_graphnodeinfo.cpp (moved)
	* src/Atom/atom_graphnodeinfo.hpp (moved)
	* src/Atom/atom_observable.cpp (moved)
	* src/Atom/atom_observable.hpp (moved)
	* src/Atom/atom_particleinfo.cpp (moved)
	* src/Atom/atom_particleinfo.hpp (moved)
	* src/Bond/bond.cpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomShapeDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified)
	* src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/VerletForceIntegration.hpp (modified)
	* src/Fragmentation/AdaptivityMap.cpp (modified)
	* src/Fragmentation/BondsPerShortestPath.cpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/PowerSetGenerator.cpp (modified)
	* src/Fragmentation/UniqueFragments.cpp (modified)
	* src/Fragmentation/fragmentation_helpers.cpp (modified)
	* src/Graph/BondGraph.cpp (modified)
	* src/Graph/BondGraph.hpp (modified)
	* src/Graph/BreadthFirstSearchAdd.cpp (modified)
	* src/Graph/BuildInducedSubgraph.cpp (modified)
	* src/Graph/CheckAgainstAdjacencyFile.cpp (modified)
	* src/Graph/ConnectedSubgraph.cpp (modified)
	* src/Graph/CyclicStructureAnalysis.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.cpp (modified)
	* src/Graph/unittests/BondGraphUnitTest.cpp (modified)
	* src/Graph/unittests/CheckAgainstAdjacencyFileUnitTest.cpp (modified)
	* src/LinkedCell/PointCloudAdaptor.hpp (modified)
	* src/LinkedCell/linkedcell.cpp (modified)
	* src/LinkedCell/unittests/linkedcellUnitTest.cpp (modified)
	* src/Makefile.am (modified)
	* src/MoleculeLeafClass.cpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Tesselation/BoundaryLineSet.cpp (modified)
	* src/Tesselation/BoundaryPointSet.cpp (modified)
	* src/Tesselation/BoundaryPolygonSet.cpp (modified)
	* src/Tesselation/BoundaryTriangleSet.cpp (modified)
	* src/Tesselation/CandidateForTesselation.cpp (modified)
	* src/Tesselation/boundary.cpp (modified)
	* src/Tesselation/tesselation.cpp (modified)
	* src/Tesselation/tesselation.hpp (modified)
	* src/Tesselation/unittests/TesselationUnitTest.cpp (modified)
	* src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified)
	* src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Thermostat.hpp (modified)
	* src/UIElements/CommandLineUI/TypeEnumContainer.cpp (modified)
	* src/UIElements/Makefile.am (modified)
	* src/UIElements/Qt4/QtMainWindow.cpp (modified)
	* src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/AtomsQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/RandomNumberDistribution_ParametersQtQuery.cpp (modified)
	* src/UIElements/TextUI/Query/AtomsTextQuery.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified)
	* src/UIElements/Views/Qt4/QtWorldView.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/ListOfBondsUnitTest.cpp (modified)

	Shifted all modules related to atoms into own subfolder src/Atom/

	- ...