# # ChangeLog for src/unittests/Makefile.am # # Generated by Trac 1.4.4 # Jan 1, 2025, 7:03:01 PM Fri, 18 Jun 2010 10:03:23 GMT Tillmann Crueger [997784] * src/Makefile.am (modified) * src/Shapes/Shape.cpp (added) * src/Shapes/Shape.hpp (added) * src/Shapes/Shape_impl.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/ShapeUnittest.cpp (added) * src/unittests/ShapeUnittest.hpp (added) Added basic structure for definition of geometric 3D shapes. Fri, 04 Jun 2010 09:28:46 GMT Tillmann Crueger [76c0d6] * src/Exceptions/MultipleSolutionsException.hpp (added) * src/Exceptions/SkewException.cpp (added) * src/Exceptions/SkewException.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Line.cpp (modified) * src/Line.hpp (modified) * src/Makefile.am (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/Space.cpp (modified) * src/Space.hpp (modified) * src/atom.cpp (modified) * src/molecule_geometry.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/LineUnittest.cpp (added) * src/unittests/LineUnittest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/PlaneUnittest.cpp (modified) * src/unittests/PlaneUnittest.hpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) * src/vector_ops.hpp (modified) Merge branch 'StructureRefactoring' into stable Conflicts: ... Mon, 31 May 2010 17:32:27 GMT Frederik Heber [1024cb] * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Helpers/Assert.cpp (modified) * src/Helpers/MemDebug.cpp (modified) * src/Helpers/MemDebug.hpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Patterns/Cacheable.hpp (modified) * src/Patterns/ObservedIterator.hpp (added) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/lists.cpp (deleted) * src/lists.hpp (modified) * src/memoryallocator.cpp (added) * 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/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (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/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/listofbondsunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * tests/regression/Domain/5/post/test.conf (modified) * tests/regression/Domain/5/pre/test.conf (modified) * tests/regression/Domain/6/post/test-x.conf (deleted) * tests/regression/Domain/6/post/test-x.conf.xyz (added) * tests/regression/Domain/6/post/test-y.conf (deleted) * tests/regression/Domain/6/post/test-y.conf.xyz (added) * tests/regression/Domain/6/post/test-z.conf (deleted) * tests/regression/Domain/6/post/test-z.conf.xyz (added) * tests/regression/Domain/6/post/test.conf (deleted) * tests/regression/Domain/6/pre/test.conf (modified) * tests/regression/Simple_configuration/8/post/test.conf (deleted) * tests/regression/Simple_configuration/8/post/test.conf.xyz (added) * tests/regression/testsuite-domain.at (modified) * tests/regression/testsuite-simple_configuration.at (modified) Merge commit 'jupiter/MoleculeStartEndSwitch' into ... Mon, 31 May 2010 13:09:58 GMT Frederik Heber [920c70] * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Makefile.am (modified) * src/analysis_correlation.cpp (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/atom_graphnodeinfo.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/joiner.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/stackclass.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (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/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/stackclassunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) Removed all Malloc/Calloc/ReAlloc (&Free) and replaced by new and ... Thu, 27 May 2010 14:15:57 GMT Tillmann Crueger [45ef76] * src/Line.cpp (modified) * src/Line.hpp (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/unittests/LineUnittest.cpp (added) * src/unittests/LineUnittest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added several methods to the line class. Thu, 20 May 2010 16:12:03 GMT Tillmann Crueger [f2f4ae] * src/Helpers/MemDebug.cpp (modified) * src/unittests/Makefile.am (modified) Made the memory debugger thread safe Tue, 18 May 2010 15:20:52 GMT Frederik Heber [4eb4fe] * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/builder.cpp (modified) * src/elements.db (modified) * src/elements_db.cpp (added) * src/elements_db.hpp (added) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (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) * src/unittests/CountBondsUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.hpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ParserUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/analysisbondsunittest.hpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/listofbondsunittest.hpp (modified) * src/unittests/periodentafelTest.cpp (added) * src/unittests/periodentafelTest.hpp (added) * tests/testsuite.at (modified) "-e " not necessary anymore. Removed necessity of ... Sat, 08 May 2010 18:39:10 GMT Frederik Heber [18eecf] * src/unittests/Makefile.am (modified) minor change: put entries in molecuilder/src/unittests/Makefile.am ... Sat, 08 May 2010 12:17:30 GMT Frederik Heber [b9b604] * src/Makefile.am (modified) * src/Parser/ChangeTracker.cpp (added) * src/Parser/ChangeTracker.hpp (added) * src/Parser/FormatParser.cpp (added) * src/Parser/FormatParser.hpp (added) * src/Parser/TremoloParser.cpp (added) * src/Parser/TremoloParser.hpp (added) * src/Parser/XyzParser.cpp (added) * src/Parser/XyzParser.hpp (added) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/atom_particleinfo.cpp (modified) * src/bond.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ParserUnitTest.cpp (added) * src/unittests/ParserUnitTest.hpp (added) * src/unittests/SingletonTest.cpp (modified) Merge branch 'StateAndFormatParser' into CommandLineActionMapping ... Fri, 30 Apr 2010 13:33:12 GMT Tillmann Crueger [fa5a6a] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/PlaneUnittest.cpp (added) * src/unittests/PlaneUnittest.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) Added unittests for planes Tue, 27 Apr 2010 14:25:42 GMT Frederik Heber [5f612ee] * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_particleinfo.cpp (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/defs.hpp (modified) * src/ellipsoid.cpp (modified) * src/errorlogger.cpp (modified) * src/graph.cpp (modified) * src/gslvector.cpp (modified) * src/gslvector.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/info.cpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/log.cpp (modified) * src/log.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/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/triangleintersectionlist.cpp (added) * src/triangleintersectionlist.hpp (added) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/CountBondsUnitTest.cpp (added) * src/unittests/CountBondsUnitTest.hpp (added) * src/unittests/LinkedCellUnitTest.cpp (added) * src/unittests/LinkedCellUnitTest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/gslvectorunittest.hpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.hpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) * src/verbose.hpp (modified) * tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (deleted) * tests/Tesselations/defs.in (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) Merge branch 'Analysis_PairCorrelation' into StructureRefactoring ... Fri, 09 Apr 2010 10:14:20 GMT heber [dcea0f] * src/unittests/LinkedCellUnitTest.cpp (added) * src/unittests/LinkedCellUnitTest.hpp (added) * src/unittests/Makefile.am (modified) New Unit test for class LinkedCell. - this is just the skeleton, so ... Thu, 01 Apr 2010 12:16:29 GMT Saskia Metzler [4415da] * doc/Doxyfile (modified) * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionHistory.cpp (added) * src/Actions/ActionHistory.hpp (added) * src/Actions/ActionRegistry.cpp (modified) * src/Actions/ActionRegistry.hpp (modified) * src/Actions/ActionSequence.cpp (modified) * src/Actions/ActionSequence.hpp (modified) * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/Calculation.hpp (modified) * src/Actions/Calculation_impl.hpp (modified) * src/Actions/ErrorAction.cpp (modified) * src/Actions/ErrorAction.hpp (modified) * src/Actions/MakroAction.cpp (modified) * src/Actions/MakroAction.hpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Actions/ManipulateAtomsProcess.hpp (modified) * src/Actions/MethodAction.cpp (modified) * src/Actions/MethodAction.hpp (modified) * src/Actions/small_actions.cpp (modified) * src/Actions/small_actions.hpp (modified) * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Descriptors/AtomTypeDescriptor.hpp (modified) * src/Descriptors/AtomTypeDescriptor_impl.hpp (modified) * src/Descriptors/DescriptorBase.hpp (added) * src/Descriptors/DescriptorBase_impl.hpp (added) * src/Descriptors/MoleculeDescriptor.cpp (modified) * src/Descriptors/MoleculeDescriptor.hpp (modified) * src/Descriptors/SelectiveIterator.hpp (added) * src/Descriptors/SelectiveIterator_impl.hpp (added) * src/Helpers/Assert.cpp (added) * src/Helpers/Assert.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Menu/ActionMenuItem.cpp (modified) * src/Menu/ActionMenuItem.hpp (modified) * src/Menu/MenuItem.cpp (modified) * src/Menu/MenuItem.hpp (modified) * src/Menu/TextMenu.cpp (modified) * src/Menu/TextMenu.hpp (modified) * src/Parser/ChangeTracker.cpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/Parser/TremoloParser.hpp (modified) * src/Parser/XyzParser.cpp (modified) * src/Patterns/Cacheable.hpp (modified) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/Patterns/Singleton.hpp (added) * src/Patterns/Singleton_impl.hpp (added) * 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/UIElements/TextWindow.hpp (modified) * src/UIElements/UIFactory.cpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (deleted) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/defs.hpp (modified) * src/element.cpp (modified) * src/element.hpp (modified) * src/errorlogger.cpp (modified) * src/errorlogger.hpp (modified) * src/helpers.hpp (modified) * src/leastsquaremin.hpp (modified) * src/log.cpp (modified) * src/logger.cpp (modified) * src/logger.hpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/moleculelist.cpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/types.hpp (added) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/AtomDescriptorTest.cpp (modified) * src/unittests/AtomDescriptorTest.hpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/MoleculeDescriptorTest.cpp (modified) * src/unittests/MoleculeDescriptorTest.hpp (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) * src/unittests/ParserUnitTest.cpp (modified) * src/unittests/SingletonTest.cpp (added) * src/unittests/SingletonTest.hpp (added) * 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/logunittest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Merge Till's structure refactoring Merge commit ... Tue, 30 Mar 2010 18:52:14 GMT Frederik Heber [dfe8ef] * src/bondgraph.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (added) * src/unittests/CountBondsUnitTest.hpp (added) * src/unittests/Makefile.am (modified) BUGFIX: CountHydrogenBridgeBonds() was half-broken, ... Tue, 30 Mar 2010 13:22:20 GMT Saskia Metzler [9131f3] * src/Makefile.am (modified) * src/Parser/FormatParser.cpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/Parser/TremoloParser.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ParserUnitTest.cpp (modified) * src/unittests/ParserUnitTest.hpp (modified) WIP tremolo parser Wed, 17 Mar 2010 15:19:56 GMT Tillmann Crueger [6e97e5] * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Actions/ManipulateAtomsProcess.hpp (modified) * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/DescriptorBase.hpp (added) * src/Descriptors/DescriptorBase_impl.hpp (added) * src/Descriptors/MoleculeDescriptor.hpp (modified) * src/Descriptors/SelectiveIterator.hpp (added) * src/Descriptors/SelectiveIterator_impl.hpp (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (deleted) * src/helpers.hpp (modified) * src/unittests/AtomDescriptorTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Added a generic Iterator that can be used to iterate only over ... Thu, 11 Mar 2010 11:32:17 GMT Tillmann Crueger [7ca806] * src/Patterns/Singleton.hpp (modified) * src/Patterns/Singleton_impl.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Changed the mutex type used in the Singleton pattern to allow ... Fri, 05 Mar 2010 13:45:35 GMT Saskia Metzler [cb2146] * src/Descriptors/MoleculeIdDescriptor.cpp (added) * src/Descriptors/MoleculeIdDescriptor.hpp (added) * src/Descriptors/MoleculeIdDescriptor_impl.hpp (added) * src/Makefile.am (modified) * src/Parser/TremoloParser.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/unittests/AtomDescriptorTest.cpp (moved) * src/unittests/AtomDescriptorTest.hpp (moved) * src/unittests/Makefile.am (modified) * src/unittests/MoleculeDescriptorTest.cpp (added) * src/unittests/MoleculeDescriptorTest.hpp (added) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) solve merge conflict Merge commit 'till/StructureRefactoring' into ... Fri, 05 Mar 2010 12:53:13 GMT Saskia Metzler [ab4b55] * src/FormatParser.cpp (deleted) * src/Makefile.am (modified) * src/Matrix.cpp (deleted) * src/Matrix.hpp (deleted) * src/Parser/ChangeTracker.cpp (moved) * src/Parser/ChangeTracker.hpp (moved) * src/Parser/FormatParser.cpp (added) * src/Parser/FormatParser.hpp (moved) * src/Parser/TremoloParser.cpp (moved) * src/Parser/TremoloParser.hpp (moved) * src/Parser/XyzParser.cpp (added) * src/Parser/XyzParser.hpp (added) * src/XyzParser.cpp (deleted) * src/XyzParser.hpp (deleted) * src/unittests/Makefile.am (modified) * src/unittests/MatrixUnitTest.cpp (deleted) * src/unittests/MatrixUnitTest.hpp (deleted) * src/unittests/ParserUnitTest.cpp (added) * src/unittests/ParserUnitTest.hpp (added) the XYZ parser Thu, 04 Mar 2010 10:33:44 GMT Tillmann Crueger [57adc7] * src/Descriptors/MoleculeIdDescriptor.cpp (added) * src/Descriptors/MoleculeIdDescriptor.hpp (added) * src/Descriptors/MoleculeIdDescriptor_impl.hpp (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/unittests/AtomDescriptorTest.cpp (moved) * src/unittests/AtomDescriptorTest.hpp (moved) * src/unittests/Makefile.am (modified) * src/unittests/MoleculeDescriptorTest.cpp (added) * src/unittests/MoleculeDescriptorTest.hpp (added) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Added methods to query Molecules by ID Thu, 04 Mar 2010 09:49:45 GMT Saskia Metzler [57f5cf] * doc/Doxyfile (modified) * src/Actions/ActionRegistry.cpp (modified) * src/Actions/AtomsCalculation.hpp (added) * src/Actions/AtomsCalculation_impl.hpp (added) * src/Actions/Calculation.hpp (added) * src/Actions/Calculation_impl.hpp (added) * src/Actions/MakroAction.cpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (added) * src/Actions/ManipulateAtomsProcess.hpp (added) * src/Actions/Process.cpp (modified) * src/Actions/Process.hpp (modified) * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/AtomDescriptor_impl.hpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor.hpp (modified) * src/Descriptors/AtomIdDescriptor_impl.hpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (added) * src/Descriptors/AtomTypeDescriptor.hpp (added) * src/Descriptors/AtomTypeDescriptor_impl.hpp (added) * src/Descriptors/MoleculeDescriptor.cpp (added) * src/Descriptors/MoleculeDescriptor.hpp (added) * src/Descriptors/MoleculeDescriptor_impl.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Menu/DisplayMenuItem.cpp (modified) * src/Menu/TextMenu.cpp (modified) * src/Patterns/Cacheable.hpp (modified) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/MainWindow.hpp (modified) * src/UIElements/TextDialog.cpp (modified) * src/UIElements/TextStatusIndicator.cpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/Views/MethodStringView.cpp (modified) * src/Views/MethodStringView.hpp (modified) * src/Views/StreamStringView.cpp (modified) * src/Views/StreamStringView.hpp (modified) * src/Views/StringView.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (added) * src/World_calculations.hpp (added) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.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/datacreator.cpp (modified) * src/defs.hpp (modified) * src/lists.cpp (added) * src/lists.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_template.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselationhelpers.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 (added) * src/unittests/atomsCalculationTest.hpp (added) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (added) * src/unittests/manipulateAtomsTest.hpp (added) Merge commit 'till/StructureRefactoring' into StateAndFormatParser ... Thu, 04 Mar 2010 09:21:38 GMT Saskia Metzler [706f9b] * src/Makefile.am (modified) * src/unittests/Makefile.am (modified) Work-in-progress commit of parser and changeTracker Fri, 26 Feb 2010 13:57:01 GMT Tillmann Crueger [a1510d] * configure.ac (modified) * src/Actions/small_actions.hpp (modified) * src/Makefile.am (modified) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/UIElements/TextStatusIndicator.cpp (added) * src/UIElements/TextStatusIndicator.hpp (added) * src/UIElements/TextWindow.cpp (modified) * src/UIElements/TextWindow.hpp (modified) * src/World.cpp (modified) * src/builder.cpp (modified) * src/element.cpp (modified) * src/gslmatrix.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/tesselation.cpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/DescriptorUnittest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/TestRunnerMain.cpp (added) * src/unittests/UnitTestMain.cpp (added) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (modified) * src/unittests/gslmatrixunittest.cpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/infounittest.cpp (modified) * src/unittests/linearsystemofequationsunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/memoryusageobserverunittest.cpp (modified) * src/unittests/stackclassunittest.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/vector.cpp (modified) * src/vector.hpp (modified) * tests/Tesselations/defs.in (modified) Merge branch 'FreddiesRefactoring' into StructureRefactoring ... Thu, 25 Feb 2010 16:43:02 GMT Tillmann Crueger [cbc5fb] * src/Legacy/oldmenu.cpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/defs.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) Made the world solely responsible for creating and erasing molecules. Thu, 25 Feb 2010 14:17:15 GMT Frederik Heber [9b6b2f] * configure.ac (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/DescriptorUnittest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/TestRunnerMain.cpp (added) * src/unittests/UnitTestMain.cpp (added) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (modified) * src/unittests/gslmatrixunittest.cpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/infounittest.cpp (modified) * src/unittests/linearsystemofequationsunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/memoryusageobserverunittest.cpp (modified) * src/unittests/stackclassunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) Tests now work with Eclipse ECUT's TestRunner. - new switch in ... 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. Fri, 19 Feb 2010 14:31:56 GMT Tillmann Crueger [b54ac8] * src/Actions/AtomsCalculation.hpp (added) * src/Actions/AtomsCalculation_impl.hpp (added) * src/Actions/Calculation.hpp (modified) * src/Actions/Calculation_impl.hpp (modified) * src/World.hpp (modified) * src/World_calculations.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/atomsCalculationTest.cpp (added) * src/unittests/atomsCalculationTest.hpp (added) * src/unittests/manipulateAtomsTest.cpp (modified) Added templates that allow arbitrary calculations on atoms to be ... Fri, 19 Feb 2010 11:49:42 GMT Tillmann Crueger [7c4e29] * src/Actions/Calculation.hpp (added) * src/Actions/Calculation_impl.hpp (added) * src/Actions/Process.cpp (modified) * src/Actions/Process.hpp (modified) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/unittests/Makefile.am (modified) Added a class that allows constructing Processes that have a result 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 14:59:41 GMT Tillmann Crueger [4d9c01] * configure.ac (modified) * m4/m4_ax_boost_thread.m4 (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/unittests/Makefile.am (modified) Fixed some problems with the usage of Boost::threads Tue, 02 Feb 2010 15:35:09 GMT Tillmann Crueger [e3c8b4] * src/Makefile.am (modified) * src/Patterns/Cacheable.hpp (added) * src/unittests/CacheableTest.cpp (added) * src/unittests/CacheableTest.hpp (added) * src/unittests/Makefile.am (modified) Added data structure to allow caching of derived values Tue, 02 Feb 2010 11:52:04 GMT Tillmann Crueger [63c1f6] * src/Makefile.am (modified) * src/Patterns/Observer.cpp (added) * src/Patterns/Observer.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/ObserverTest.cpp (added) * src/unittests/ObserverTest.hpp (added) Added generic observer pattern framework. (cherry picked from commit ... Wed, 27 Jan 2010 14:36:09 GMT Tillmann Crueger [04b6f9] * src/Makefile.am (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/gslmatrix.cpp (added) * src/gslmatrix.hpp (added) * src/gslvector.cpp (added) * src/gslvector.hpp (added) * src/helpers.hpp (modified) * src/joiner.cpp (modified) * src/linearsystemofequations.cpp (added) * src/linearsystemofequations.hpp (added) * 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_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (added) * src/unittests/gslmatrixsymmetricunittest.hpp (added) * src/unittests/gslmatrixunittest.cpp (added) * src/unittests/gslmatrixunittest.hpp (added) * src/unittests/gslvectorunittest.cpp (added) * src/unittests/gslvectorunittest.hpp (added) * src/unittests/linearsystemofequationsunittest.cpp (added) * src/unittests/linearsystemofequationsunittest.hpp (added) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (added) * src/unittests/tesselation_boundarytriangleunittest.hpp (added) * src/unittests/tesselation_insideoutsideunittest.cpp (added) * src/unittests/tesselation_insideoutsideunittest.hpp (added) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) * src/vector.cpp (modified) * src/version.h (added) * tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring ... Tue, 26 Jan 2010 12:45:41 GMT Tillmann Crueger [1ca488] * src/Makefile.am (modified) * src/atom_bondedparticle.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/info.cpp (added) * src/info.hpp (added) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/infounittest.cpp (added) * src/unittests/infounittest.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) * tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified) * tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified) * tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified) * tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified) * tests/Tesselations/Makefile.am (modified) * tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified) * tests/Tesselations/benzene.test (added) * tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/benzene.xyz (added) * tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified) * tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified) * tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified) * tests/Tesselations/defs.in (modified) * tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified) * tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified) * tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified) * tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified) * tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified) * tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified) * tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified) * tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified) * tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * tests/testsuite.at (modified) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring ... Thu, 14 Jan 2010 17:43:34 GMT Frederik Heber [e9c677] * src/unittests/Makefile.am (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (added) * src/unittests/tesselation_boundarytriangleunittest.hpp (added) Unit test for BoundaryTriangleSet member functions added. - for now ... Sun, 10 Jan 2010 19:15:01 GMT Frederik Heber [31a6af] * src/unittests/Makefile.am (modified) libgslwrapper.a added to LDADD of most tests. Since Vector class ... Fri, 08 Jan 2010 17:48:35 GMT Frederik Heber [f60610] * src/Makefile.am (modified) * src/linearsystemofequations.cpp (added) * src/linearsystemofequations.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/linearsystemofequationsunittest.cpp (added) * src/unittests/linearsystemofequationsunittest.hpp (added) Wrapper class for gsl_linalg along with working Unit test. - new ... Fri, 08 Jan 2010 17:46:51 GMT Frederik Heber [fc3b67] * src/Makefile.am (modified) * src/gslmatrix.cpp (added) * src/gslmatrix.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (added) * src/unittests/gslmatrixsymmetricunittest.hpp (added) * src/unittests/gslmatrixunittest.cpp (added) * src/unittests/gslmatrixunittest.hpp (added) Wrapper class for gsl_matrix along with working Unit test. - new ... Fri, 08 Jan 2010 17:44:51 GMT Frederik Heber [9fb860] * src/Makefile.am (modified) * src/gslvector.cpp (added) * src/gslvector.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/gslvectorunittest.cpp (added) * src/unittests/gslvectorunittest.hpp (added) Wrapper class for gsl_vector along with working Unit test. - new ... Tue, 29 Dec 2009 14:48:49 GMT Frederik Heber [c15ca2] * src/analysis_correlation.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (added) * src/unittests/tesselation_insideoutsideunittest.hpp (added) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) Changes to FindClosest...ToVector() and use of ..Map,..Set,..List ... Thu, 17 Dec 2009 16:56:06 GMT Tillmann Crueger [147339] * src/unittests/ActionSequenceTest.cpp (added) * src/unittests/ActionSequenceTest.hpp (added) * src/unittests/Makefile.am (modified) Added unittest for ActionSequence. Wed, 25 Nov 2009 15:28:39 GMT Frederik Heber [8725ed] * src/Makefile.am (modified) * src/info.cpp (added) * src/info.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/infounittest.cpp (added) * src/unittests/infounittest.hpp (added) * src/verbose.cpp (modified) New Info class that contains a global verbosity level, increased per ... Sat, 07 Nov 2009 09:46:08 GMT Frederik Heber [96c961] * src/Makefile.am (modified) * src/analysis_bonds.cpp (added) * src/analysis_bonds.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (added) * src/unittests/analysisbondsunittest.hpp (added) Added initial analysis_bonds.cpp and unit test for Analysis of bonds. ... Wed, 04 Nov 2009 19:56:04 GMT Frederik 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 ... Wed, 04 Nov 2009 18:25:42 GMT Frederik Heber [7326b2] * src/Makefile.am (modified) * src/errorLogger.cpp (added) * src/errorLogger.hpp (added) * src/log.cpp (added) * src/log.hpp (added) * src/logger.cpp (added) * src/logger.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/logunittest.cpp (added) * src/unittests/logunittest.hpp (added) * src/verbose.cpp (modified) * src/verbose.hpp (modified) Merge branch 'CodeRefactoring' of ... Tue, 03 Nov 2009 12:38:08 GMT Frederik Heber [2aeefd] * src/unittests/Makefile.am (modified) Removed libmolecuilder linking from unit tests where only some few ... Fri, 30 Oct 2009 11:04:50 GMT Saskia Metzler [06c7a3] * src/errorLogger.cpp (added) * src/errorLogger.hpp (added) * src/log.cpp (added) * src/log.hpp (added) * src/logger.cpp (added) * src/logger.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/logunittest.cpp (added) * src/unittests/logunittest.hpp (added) * src/verbose.cpp (modified) * src/verbose.hpp (modified) Ticket 43 Create a logging class The verbosity level can now be ... Fri, 30 Oct 2009 09:05:30 GMT Frederik 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 ... Fri, 30 Oct 2009 08:29:31 GMT Frederik Heber [46ea3b] * src/test/ActOnAlltest.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActOnAllUnitTest.hpp (modified) * src/unittests/Makefile.am (modified) Test code is moved to its own source subdirectory: test. - ... Thu, 29 Oct 2009 10:09:05 GMT Frederik Heber [d96277] * src/stackclass.hpp (modified) * src/unittests/Makefile.am (modified) Refactored StackClass with respect to tickets #38, #4. - #38 make ... Tue, 27 Oct 2009 08:53:25 GMT Frederik Heber [831a14] * src/unittests/Makefile.am (modified) ..._CPPFLAGS and ..._LDFLAGS in unittests/Makefile.am put into global ... Sun, 18 Oct 2009 14:51:38 GMT Frederik Heber [266237] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/bond.cpp (modified) * src/bond.hpp (modified) * src/builder.cpp (modified) * src/linkedcell.cpp (modified) * src/lists.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (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/unittests/Makefile.am (modified) * src/unittests/listofbondsunittest.cpp (added) * src/unittests/listofbondsunittest.hpp (added) Huge refactoring: molecule::ListOfBondsPerAtom and ... Tue, 13 Oct 2009 16:42:58 GMT Frederik Heber [c4d4df] * src/Makefile.am (modified) * src/analysis_correlation.cpp (added) * src/analysis_correlation.hpp (added) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (added) * src/unittests/AnalysisCorrelationToPointUnitTest.hpp (added) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (added) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (added) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (added) * src/unittests/AnalysisPairCorrelationUnitTest.hpp (added) * src/unittests/Makefile.am (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Pair correlation analysis added. - new file ... Fri, 09 Oct 2009 12:30:54 GMT Frederik Heber [c111db] * Makefile.am (modified) * configure.ac (modified) * src/Makefile.am (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/bond.cpp (modified) * src/builder.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/memoryallocator.hpp (modified) * src/memoryusageobserver.cpp (modified) * src/memoryusageobserver.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (moved) * src/unittests/ActOnAllUnitTest.hpp (moved) * src/unittests/ActOnAlltest.hpp (moved) * src/unittests/Makefile.am (added) * src/unittests/memoryallocatorunittest.cpp (moved) * src/unittests/memoryallocatorunittest.hpp (moved) * src/unittests/memoryusageobserverunittest.cpp (moved) * src/unittests/memoryusageobserverunittest.hpp (moved) * src/unittests/tesselationunittest.cpp (moved) * src/unittests/tesselationunittest.hpp (moved) * src/unittests/vectorunittest.cpp (moved) * src/unittests/vectorunittest.hpp (moved) Merge branch 'new-delete-conversion' into CodeRefactoring ... Wed, 07 Oct 2009 15:35:17 GMT metzler [b9907c] * Makefile.am (modified) * configure.ac (modified) * src/Makefile.am (modified) * src/unittests/Makefile.am (modified) Ticket 30: Put molecuilder unit tests in their own subfolder in src Wed, 07 Oct 2009 15:04:23 GMT Saskia Metzler [be90f1] * configure.ac (modified) * src/Makefile.am (modified) * src/builder.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/memoryallocator.hpp (modified) * src/unittests/Makefile.am (added) * src/unittests/memoryallocatorunittest.cpp (moved) * src/unittests/memoryallocatorunittest.hpp (moved) * src/unittests/memoryusageobserverunittest.cpp (moved) * src/unittests/memoryusageobserverunittest.hpp (moved) * src/unittests/tesselationunittest.cpp (moved) * src/unittests/tesselationunittest.hpp (moved) * src/unittests/vectorunittest.cpp (moved) * src/unittests/vectorunittest.hpp (moved) temp commit