# # ChangeLog for src/atom_particleinfo.hpp # # Generated by Trac 1.4.4 # Dec 27, 2024, 10:42:11 PM Thu, 06 Oct 2011 16:06:10 GMT Frederik Heber [7188b1] * configure.ac (modified) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.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/GLMoleculeObject_bond.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeScene.cpp (deleted) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeScene.hpp (deleted) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) * src/atom_bondedparticleinfo.cpp (modified) * src/atom_bondedparticleinfo.hpp (modified) * src/atom_observable.cpp (added) * src/atom_observable.hpp (added) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) Introduced atom_observables and GLWorldView observes World, ... Tue, 01 Mar 2011 10:16:39 GMT Frederik Heber [5309ba] * src/Actions/FragmentationAction/ConstructBondGraphAction.cpp (modified) * src/BoundaryPointSet.cpp (modified) * src/BoundaryPointSet.hpp (modified) * src/Helpers/helpers.hpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/ellipsoid.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/tesselation.cpp (modified) Renamed ParticleInfo_nr back to Nr. - Note that this mostly ... Tue, 01 Mar 2011 10:16:39 GMT Frederik Heber [735b1c] * src/BoundaryPointSet.cpp (modified) * src/BoundaryPointSet.hpp (modified) * src/analysis_bonds.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/config.cpp (modified) * src/molecule.cpp (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/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) ParticleInfo::ParticleInfo_nr is protected and accessed via ... Tue, 01 Mar 2011 10:16:38 GMT Frederik Heber [a479fa] * src/Actions/FragmentationAction/ConstructBondGraphAction.cpp (modified) * src/BoundaryPointSet.cpp (modified) * src/BoundaryPointSet.hpp (modified) * src/Helpers/helpers.hpp (modified) * src/analysis_bonds.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/molecule.cpp (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/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/TesselationUnitTest.cpp (modified) * src/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) Renamed ParticleInfo::nr to ParticleInfo::ParticleInfo_nr for easier ... Tue, 01 Mar 2011 10:16:38 GMT Frederik Heber [ba5215] * src/BoundaryPointSet.cpp (modified) * src/BoundaryPointSet.hpp (modified) * src/TesselPoint.cpp (modified) * src/TesselPoint.hpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) Extended BoundaryPointSet by functions to directly access TesselPoint ... Sat, 31 Jul 2010 15:23:10 GMT Frederik Heber [d74077] * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.cpp (modified) * src/BoundaryLineSet.cpp (added) * src/BoundaryLineSet.hpp (added) * src/BoundaryMaps.hpp (added) * src/BoundaryPointSet.cpp (added) * src/BoundaryPointSet.hpp (added) * src/BoundaryPolygonSet.cpp (added) * src/BoundaryPolygonSet.hpp (added) * src/BoundaryTriangleSet.cpp (added) * src/BoundaryTriangleSet.hpp (added) * src/CandidateForTesselation.cpp (added) * src/CandidateForTesselation.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Parser/MpqcParser.cpp (modified) * src/Parser/PcpParser.cpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/Parser/XyzParser.cpp (modified) * src/PointCloud.cpp (added) * src/PointCloud.hpp (added) * src/TesselPoint.cpp (added) * src/TesselPoint.hpp (added) * src/UIElements/QT4/QTDialog.cpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/VectorInterface.cpp (added) * src/VectorInterface.hpp (added) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/atom_bondedparticleinfo.hpp (modified) * src/atom_graphnodeinfo.hpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/atom_trajectoryparticle.hpp (modified) * src/atom_trajectoryparticleinfo.hpp (modified) * src/bond.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (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_template.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/triangleintersectionlist.cpp (modified) * src/triangleintersectionlist.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ParserUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Member variable Vector and element of class atom are now private. - ... Wed, 07 Jul 2010 12:26:05 GMT Tillmann Crueger [5e8e02] * src/Exceptions/CustomException.cpp (modified) * src/atom_graphnodeinfo.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/gslvector.cpp (modified) * src/verbose.cpp (modified) Repaired broken NO_MEMDEBUG build-path Fri, 02 Jul 2010 13:19:32 GMT Tillmann 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, 08 May 2010 12:47:57 GMT Tillmann Crueger [68f03d] * src/Helpers/MemDebug.cpp (modified) * src/analysis_bonds.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/bond.cpp (modified) * src/builder.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) * src/parser.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) FIX: Memory corruption in particleInfo class Wed, 24 Feb 2010 16:21:12 GMT Tillmann 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. Tue, 16 Feb 2010 16:24:07 GMT Tillmann 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 15:19:27 GMT Tillmann 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 Tue, 27 Oct 2009 08:54:44 GMT Frederik Heber [b453f9] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/atom_trajectoryparticle.hpp (modified) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_template.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Begun with ticket #38 (make const what is const). - basically all ... Tue, 20 Oct 2009 08:55:17 GMT Frederik Heber [6b919f8] * src/Makefile.am (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_atominfo.cpp (added) * src/atom_atominfo.hpp (added) * src/atom_bondedparticle.cpp (added) * src/atom_bondedparticle.hpp (added) * src/atom_bondedparticleinfo.cpp (added) * src/atom_bondedparticleinfo.hpp (added) * src/atom_graphnode.cpp (added) * src/atom_graphnode.hpp (added) * src/atom_graphnodeinfo.cpp (added) * src/atom_graphnodeinfo.hpp (added) * src/atom_particleinfo.cpp (added) * src/atom_particleinfo.hpp (added) * src/atom_trajectoryparticle.cpp (added) * src/atom_trajectoryparticle.hpp (added) * src/atom_trajectoryparticleinfo.cpp (added) * src/atom_trajectoryparticleinfo.hpp (added) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Refactored atom.cpp into multiple files. After the class atom was ...