# # ChangeLog for src/LinkedCell/unittests # # Generated by Trac 1.4.4 # Mar 24, 2025, 11:03:18 AM Mon, 02 Jan 2012 13:34:28 GMT Frederik Heber <heber@…> [d78531] * src/LinkedCell/Makefile.am (modified) * src/LinkedCell/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Library LinkedCell_refactored is now contained in lib LinkedCell. Mon, 02 Jan 2012 13:34:28 GMT Frederik Heber <heber@…> [6bd7e0] * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Analysis/analysis_correlation.cpp (modified) * src/Analysis/analysis_correlation.hpp (modified) * src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/Graph/BondGraph.cpp (modified) * src/Graph/BondGraph.hpp (modified) * src/LinkedCell/linkedcell.cpp (modified) * src/LinkedCell/linkedcell.hpp (modified) * src/LinkedCell/unittests/linkedcellUnitTest.cpp (modified) * src/LinkedCell/unittests/linkedcellUnitTest.hpp (modified) * src/Tesselation/CandidateForTesselation.cpp (modified) * src/Tesselation/CandidateForTesselation.hpp (modified) * src/Tesselation/boundary.cpp (modified) * src/Tesselation/boundary.hpp (modified) * src/Tesselation/ellipsoid.cpp (modified) * src/Tesselation/ellipsoid.hpp (modified) * src/Tesselation/tesselation.cpp (modified) * src/Tesselation/tesselation.hpp (modified) * src/Tesselation/tesselationhelpers.cpp (modified) * src/Tesselation/tesselationhelpers.hpp (modified) * src/Tesselation/triangleintersectionlist.cpp (modified) * src/Tesselation/triangleintersectionlist.hpp (modified) * src/Tesselation/unittests/TesselationUnitTest.cpp (modified) * src/Tesselation/unittests/TesselationUnitTest.hpp (modified) * src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) * src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.hpp (modified) * src/molecule.hpp (modified) Renamed old LinkedCell class to LinkedCell_deprecated. - this is ... Mon, 02 Jan 2012 13:00:05 GMT Frederik Heber <heber@…> [029870] * src/LinkedCell/LinkedCell.cpp (modified) * src/LinkedCell/LinkedCell.hpp (modified) * src/LinkedCell/LinkedCell_Model.cpp (modified) * src/LinkedCell/LinkedCell_Model.hpp (modified) * src/LinkedCell/types.hpp (modified) * src/LinkedCell/unittests/LinkedCellUnitTest.cpp (modified) FIX: LinkedCell and LinkedCell_Model now store _const_ TesselPoint ... Mon, 02 Jan 2012 13:00:05 GMT Frederik Heber <heber@…> [2614e2a] * src/LinkedCell/LinkedCell_Model.cpp (modified) * src/LinkedCell/LinkedCell_Model.hpp (modified) * src/LinkedCell/unittests/stubs/LinkedCell_ModelStub.cpp (modified) LinkedCell_Model now inherits Observer. - implemented facade for ... Mon, 02 Jan 2012 13:00:05 GMT Frederik Heber <heber@…> [fe8253] * src/LinkedCell/LinkedCell_Controller.cpp (modified) * src/LinkedCell/LinkedCell_Controller.hpp (modified) * src/LinkedCell/unittests/LinkedCell_ControllerUnitTest.cpp (modified) * src/LinkedCell/unittests/LinkedCell_ControllerUnitTest.hpp (modified) Added first reasonable heuristic, and added required implementation ... Mon, 02 Jan 2012 13:00:05 GMT Frederik Heber <heber@…> [9a5649] * src/LinkedCell/unittests/Makefile.am (modified) * src/LinkedCell/unittests/stubs/LinkedCellStub.cpp (added) * src/LinkedCell/unittests/stubs/LinkedCell_ModelStub.cpp (added) * src/LinkedCell/unittests/stubs/LinkedCell_ViewStub.cpp (added) LinkedCell_ControllerUnitTest only depends on stubs now. - i.e. we ... Mon, 02 Jan 2012 13:00:05 GMT Frederik Heber <heber@…> [fea945] * src/LinkedCell/LinkedCell_Controller.cpp (added) * src/LinkedCell/LinkedCell_Controller.hpp (added) * src/LinkedCell/Makefile.am (modified) * src/LinkedCell/unittests/LinkedCell_ControllerUnitTest.cpp (added) * src/LinkedCell/unittests/LinkedCell_ControllerUnitTest.hpp (added) * src/LinkedCell/unittests/Makefile.am (modified) Added simple implementation for LinkedCell_Controller. - ... Mon, 02 Jan 2012 13:00:05 GMT Frederik Heber <heber@…> [6b91e64] * src/LinkedCell/Makefile.am (modified) * src/LinkedCell/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Added convenience library for files of new LinkedCell implementation. ... Mon, 02 Jan 2012 13:00:05 GMT Frederik Heber <heber@…> [c379f9] * src/LinkedCell/unittests/LinkedCell_ModelUnitTest.cpp (modified) * src/LinkedCell/unittests/LinkedCell_ViewUnitTest.cpp (modified) * src/LinkedCell/unittests/defs.hpp (added) Extracted defines for unit tests and placed into extra header file ... Mon, 02 Jan 2012 13:00:04 GMT Frederik Heber <heber@…> [5344e4] * src/LinkedCell/LinkedCell.hpp (modified) * src/LinkedCell/LinkedCell_View.cpp (added) * src/LinkedCell/LinkedCell_View.hpp (added) * src/LinkedCell/types.hpp (modified) * src/LinkedCell/unittests/LinkedCell_ViewUnitTest.cpp (added) * src/LinkedCell/unittests/LinkedCell_ViewUnitTest.hpp (added) * src/LinkedCell/unittests/Makefile.am (modified) Added implementation of linked cell view part with high-level ... Mon, 02 Jan 2012 13:00:04 GMT Frederik Heber <heber@…> [d82961] * src/LinkedCell/LinkedCell_Model.cpp (added) * src/LinkedCell/LinkedCell_Model.hpp (added) * src/LinkedCell/LinkedCell_Model_inline.hpp (added) * src/LinkedCell/unittests/LinkedCell_ModelUnitTest.cpp (added) * src/LinkedCell/unittests/LinkedCell_ModelUnitTest.hpp (added) * src/LinkedCell/unittests/Makefile.am (modified) Added implementation of linked cell model part using LinkedCell. - ... Wed, 28 Dec 2011 15:30:07 GMT Frederik Heber <heber@…> [794bc8] * configure.ac (modified) * src/LinkedCell/LinkedCell.cpp (added) * src/LinkedCell/LinkedCell.hpp (added) * src/LinkedCell/types.hpp (added) * src/LinkedCell/unittests/LinkedCellUnitTest.cpp (added) * src/LinkedCell/unittests/LinkedCellUnitTest.hpp (added) * src/LinkedCell/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Added LinkedCell as commodity class around LinkedList. - LinkedList ... 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/ - ... Wed, 28 Dec 2011 15:30:06 GMT Frederik Heber <heber@…> [91f592] * src/LinkedCell/Makefile.am (added) * src/LinkedCell/unittests/Makefile.am (added) * src/LinkedCell/unittests/linkedcellUnitTest.cpp (moved) * src/LinkedCell/unittests/linkedcellUnitTest.hpp (moved) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/unittests/Makefile.am (modified) Added own convenience library for LinkedCell construct.