# # ChangeLog for / # # Generated by Trac 1.4.4 # Jan 8, 2025, 8:55:34 PM Fri, 18 Jun 2010 14:40:02 GMT Tillmann Crueger [f932b7] * src/Line.cpp (modified) * src/Line.hpp (modified) * src/unittests/LineUnittest.cpp (modified) * src/unittests/LineUnittest.hpp (modified) Added a method to calculate the intersection of a line with the unit ... Fri, 18 Jun 2010 10:46:57 GMT Tillmann Crueger [394529] * src/Shapes/ShapeOps.cpp (modified) Added small sanity check to the arguments of Resize_impl Fri, 18 Jun 2010 10:44:04 GMT Tillmann Crueger [e09b70] * src/Makefile.am (modified) * src/Shapes/Shape.cpp (modified) * src/Shapes/Shape.hpp (modified) * src/Shapes/ShapeOps.cpp (added) * src/Shapes/ShapeOps.hpp (added) * src/Shapes/ShapeOps_impl.hpp (added) * src/Shapes/Shape_impl.hpp (modified) Added basic operations on shapes Fri, 18 Jun 2010 10:18:10 GMT Tillmann Crueger [e38447] * src/Makefile.am (modified) * src/Shapes/BaseShapes.cpp (added) * src/Shapes/BaseShapes.hpp (added) * src/Shapes/BaseShapes_impl.hpp (added) Added some basic shapes to the shape framework 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. Thu, 17 Jun 2010 15:12:54 GMT Tillmann Crueger [d386e8] * src/VectorSet.cpp (added) * src/VectorSet.hpp (added) * src/atom_trajectoryparticleinfo.hpp (modified) Merge branch 'VectorSetMixin' into stable Thu, 17 Jun 2010 15:09:22 GMT Tillmann Crueger [1dc9ec] * src/gslvector.cpp (modified) * src/gslvector.hpp (modified) * src/linearsystemofequations.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Merge branch 'VectorRefactoring' into stable Conflicts: ... Thu, 17 Jun 2010 12:56:48 GMT Tillmann Crueger [5f5a7b] * src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified) * src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (modified) * src/UIElements/TextUI/TextUIFactory.cpp (modified) * src/UIElements/TextUI/TextUIFactory.hpp (modified) * src/UIElements/UIFactory.cpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/builder.cpp (modified) Merge branch 'MenuRefactoring' into stable Conflicts: ... Thu, 17 Jun 2010 12:25:43 GMT Tillmann Crueger [fc6053] * src/Helpers/MemDebug.cpp (modified) Made the complete MemDebug file conditional, to speed up compilation Thu, 17 Jun 2010 11:55:29 GMT Tillmann Crueger [492279] * src/Helpers/MemDebug.cpp (modified) FIX: Repaired MemDebug to use safe (C-Style) pthread-mutexes instead ... Wed, 16 Jun 2010 12:24:21 GMT Tillmann Crueger [e6317b] * configure.ac (modified) * src/Actions/ActionRegistry.cpp (modified) * src/Actions/ActionRegistry.hpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (deleted) * src/Actions/AnalysisAction/PairCorrelationToPointAction.hpp (deleted) * src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (deleted) * src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp (deleted) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/AtomAction/RemoveAction.cpp (modified) * src/Actions/CmdAction/BondLengthTableAction.cpp (modified) * src/Actions/CmdAction/ElementDbAction.cpp (modified) * src/Actions/CmdAction/FastParsingAction.cpp (modified) * src/Actions/CmdAction/VerboseAction.cpp (modified) * src/Actions/CmdAction/VersionAction.cpp (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/MapOfActions.cpp (modified) * src/Actions/MapOfActions.hpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/Actions/MoleculeAction/TranslateAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Actions/Values.hpp (added) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/Actions/WorldAction/BoundInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/ChangeBoxAction.cpp (modified) * src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.cpp (modified) * src/Actions/WorldAction/SetDefaultNameAction.cpp (modified) * src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified) * src/CommandLineParser.cpp (modified) * src/CommandLineParser.hpp (modified) * src/Descriptors/MoleculeNameDescriptor.cpp (added) * src/Descriptors/MoleculeNameDescriptor.hpp (added) * src/Descriptors/MoleculeNameDescriptor_impl.hpp (added) * src/Helpers/MemDebug.hpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/UIElements/TextUI/TextDialog.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/builder.cpp (modified) * src/molecule.cpp (modified) * src/moleculelist.cpp (modified) * 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) * tests/Tesselations/defs.in (modified) * tests/regression/Analysis/3/post/bin_output.csv (modified) * tests/regression/Fragmentation/3/pre/BondFragment0.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment1.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment2.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment3.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment4.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (deleted) * tests/regression/testsuite-analysis.at (modified) * tests/regression/testsuite-filling.at (modified) * tests/regression/testsuite-fragmentation.at (modified) * tests/regression/testsuite-molecules.at (modified) * tests/regression/testsuite-simple_configuration.at (modified) * tests/regression/testsuite-standard_options.at (modified) * tests/regression/testsuite-tesselation.at (modified) Broken: Merge commit 'Gitosis/stable' into stable Conflicts: ... Sat, 12 Jun 2010 10:34:14 GMT Frederik Heber [980dd6] * src/Actions/MapOfActions.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/builder.cpp (modified) * tests/Tesselations/defs.in (modified) * tests/regression/testsuite-tesselation.at (modified) Case 'N' is now handled by CommandLineUI. - TESTFIX: Tesselation/1 ... Fri, 11 Jun 2010 19:22:37 GMT Frederik Heber [f6bd32] * src/Actions/MapOfActions.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-tesselation.at (modified) Case 'o' is now handled by CommandLineUI. - As of now, multiple ... Fri, 11 Jun 2010 16:01:49 GMT Tillmann Crueger [f8e486] * src/Patterns/Cacheable.hpp (modified) * src/molecule.cpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) Repaired compilation with -DNO_CACHING option Fri, 11 Jun 2010 15:59:53 GMT Frederik Heber [6866aa] * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case 'I' is now handled by CommandLineUI. Fri, 11 Jun 2010 15:53:52 GMT Tillmann Crueger [a80241] * src/atom.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) Made the atoms remove all their bonds upon destruction Fri, 11 Jun 2010 15:52:44 GMT Frederik Heber [a307af] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-molecules.at (modified) Case 'S' is now handled by CommandLineUI. Fri, 11 Jun 2010 15:48:32 GMT Frederik Heber [a02462] * src/Actions/MapOfActions.cpp (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-molecules.at (modified) Case 'L' is now handled by CommandLineUI. Fri, 11 Jun 2010 15:41:41 GMT Tillmann Crueger [6cfa36] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/unittests/listofbondsunittest.cpp (modified) Made atoms remove themselves from molecules upon destruction Fri, 11 Jun 2010 15:27:20 GMT Frederik Heber [aacce8] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-molecules.at (modified) Case 'P' is now handled by CommandLineUI. - TESTFIX: ... Fri, 11 Jun 2010 15:21:51 GMT Frederik Heber [77b2d7] * src/Actions/MapOfActions.cpp (modified) * src/Actions/MoleculeAction/TranslateAction.cpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-molecules.at (modified) Cases 't' and 'T' are now handled by CommandLineUI. - TESTFIX: both ... Fri, 11 Jun 2010 15:07:11 GMT Frederik Heber [e2b47c] * src/Actions/MapOfActions.cpp (modified) * src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-simple_configuration.at (modified) Case 'R' is now handled by CommandLineUI. - again, for each atom to ... Fri, 11 Jun 2010 14:49:15 GMT Frederik Heber [9d2a92] * src/builder.cpp (modified) ParseCommandLineOptions() - re-added removed argument count checking ... Fri, 11 Jun 2010 14:38:34 GMT Frederik Heber [f4bd01] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-molecules.at (modified) Case 'A' is now handled by CommandLineUI. - TESTFIX: ... Fri, 11 Jun 2010 14:37:51 GMT Frederik Heber [d55743e] * src/Actions/AtomAction/RemoveAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case 'r' is now handled by CommandLineUI. Fri, 11 Jun 2010 14:20:11 GMT Frederik Heber [77de81] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-molecules.at (modified) Cases 'J' and 'j' are now handled by CommandLineUI. - TESTFIX: ... Fri, 11 Jun 2010 12:20:08 GMT Frederik Heber [54b953] * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-simple_configuration.at (modified) Case 'E' is now handled by CommandLineUI. - TESTFIX: --element is ... Fri, 11 Jun 2010 12:19:50 GMT Frederik Heber [f0a3ec] * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-simple_configuration.at (modified) Case 'a' is now handled by CommandLineUI. - NOTE: atom has still to ... Fri, 11 Jun 2010 12:19:42 GMT Frederik Heber [6c7352] * src/builder.cpp (modified) Removed commented-out LoadPeriodentafel() and (second) ... Fri, 11 Jun 2010 12:19:27 GMT Frederik Heber [387b36] * src/Actions/MapOfActions.cpp (modified) * src/Actions/WorldAction/SetDefaultNameAction.cpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/builder.cpp (modified) * src/molecule.cpp (modified) Case 'X' is now handled by CommandLineUI, World::get/setDefaultName() ... Fri, 11 Jun 2010 12:19:18 GMT Frederik Heber [f821d6] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-standard_options.at (modified) Case 'n' is now handled by CommandLineUI. - TESTFIX: fastparsing ... Fri, 11 Jun 2010 10:45:06 GMT Frederik Heber [bdaacd] * src/Actions/MapOfActions.cpp (modified) * src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified) * src/builder.cpp (modified) Case 'M' is now handled by CommandLineUI. Fri, 11 Jun 2010 10:44:46 GMT Frederik Heber [48c338] * tests/regression/testsuite-fragmentation.at (modified) Merge branch 'FixTestSuiteMaxOrderFail2' into stable Fri, 11 Jun 2010 10:43:16 GMT Frederik Heber [0bcd11] * tests/regression/testsuite-fragmentation.at (modified) TESTFIX: Deactivated check of return code for MaxOrder, is declared ... Thu, 10 Jun 2010 16:25:42 GMT Frederik Heber [756b53] * tests/regression/testsuite-fragmentation.at (modified) TESTFIX: Fragmentation/3 is set to BROKEN. - somehow sequence of ... Thu, 10 Jun 2010 16:24:24 GMT Frederik Heber [39af9f] * src/Actions/CmdAction/BondLengthTableAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case 'g' is now handled by CommandLineUI. Thu, 10 Jun 2010 16:20:36 GMT Frederik Heber [198494] * src/Actions/CmdAction/ElementDbAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case 'e' is now handled by CommandLineUI. - BUGFIX: ElementDbAction ... Thu, 10 Jun 2010 16:17:22 GMT Frederik Heber [61745cc] * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) BUGFIX: LoadPeriodentafel() did not close files and elements have to ... Thu, 10 Jun 2010 16:13:23 GMT Frederik Heber [7e6b00] * src/Actions/MapOfActions.cpp (modified) * src/Actions/MapOfActions.hpp (modified) * src/CommandLineParser.cpp (modified) * src/CommandLineParser.hpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/builder.cpp (modified) FIX: Sequence of actions called from command line is now corrected. ... Thu, 10 Jun 2010 16:05:53 GMT Frederik Heber [623e89] * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/AtomAction/RemoveAction.cpp (modified) * src/Actions/CmdAction/BondLengthTableAction.cpp (modified) * src/Actions/CmdAction/ElementDbAction.cpp (modified) * src/Actions/CmdAction/FastParsingAction.cpp (modified) * src/Actions/CmdAction/VerboseAction.cpp (modified) * src/Actions/CmdAction/VersionAction.cpp (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/Actions/WorldAction/BoundInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/ChangeBoxAction.cpp (modified) * src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.cpp (modified) * src/Actions/WorldAction/SetDefaultNameAction.cpp (modified) * src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified) Compilation took ages because of CommandLineParser.hpp being ... Thu, 10 Jun 2010 15:10:19 GMT Tillmann Crueger [6d6b54] * src/Actions/Action.cpp (modified) * src/Helpers/MemDebug.cpp (modified) * src/Helpers/MemDebug.hpp (modified) Made the memory-tracker output the function from which it was called. Thu, 10 Jun 2010 13:11:28 GMT Tillmann Crueger [112b09] * src/Actions/Action.cpp (modified) * src/Actions/ActionHistory.cpp (modified) * src/Actions/ActionRegistry.cpp (modified) * src/Actions/ActionSequence.cpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/AtomAction/RemoveAction.cpp (modified) * src/Actions/CmdAction/BondLengthTableAction.cpp (modified) * src/Actions/CmdAction/ElementDbAction.cpp (modified) * src/Actions/CmdAction/FastParsingAction.cpp (modified) * src/Actions/CmdAction/HelpAction.cpp (modified) * src/Actions/CmdAction/VerboseAction.cpp (modified) * src/Actions/CmdAction/VersionAction.cpp (modified) * src/Actions/ErrorAction.cpp (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/MakroAction.cpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/Actions/MethodAction.cpp (modified) * src/Actions/MoleculeAction/BondFileAction.cpp (modified) * src/Actions/MoleculeAction/ChangeNameAction.cpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified) * src/Actions/MoleculeAction/SaveBondsAction.cpp (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified) * src/Actions/MoleculeAction/TranslateAction.cpp (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified) * src/Actions/ParserAction/LoadXyzAction.cpp (modified) * src/Actions/ParserAction/SaveXyzAction.cpp (modified) * src/Actions/Process.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/Actions/WorldAction/BoundInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/ChangeBoxAction.cpp (modified) * src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.cpp (modified) * src/Actions/WorldAction/SetDefaultNameAction.cpp (modified) * src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified) * src/CommandLineParser.cpp (modified) * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Descriptors/MoleculeDescriptor.cpp (modified) * src/Descriptors/MoleculeIdDescriptor.cpp (modified) * src/Descriptors/MoleculePtrDescriptor.cpp (modified) * src/Exceptions/CustomException.cpp (modified) * src/Exceptions/LinearDependenceException.cpp (modified) * src/Exceptions/MathException.cpp (modified) * src/Exceptions/SkewException.cpp (modified) * src/Exceptions/ZeroVectorException.cpp (modified) * src/Helpers/Assert.cpp (modified) * src/Helpers/MemDebug.hpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/Line.cpp (modified) * src/Parser/ChangeTracker.cpp (modified) * src/Parser/FormatParser.cpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/Parser/XyzParser.cpp (modified) * src/Patterns/Observer.cpp (modified) * src/Plane.cpp (modified) * src/Space.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified) * src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/MainWindow.cpp (modified) * src/UIElements/Menu/ActionMenuItem.cpp (modified) * src/UIElements/Menu/DisplayMenuItem.cpp (modified) * src/UIElements/Menu/Menu.cpp (modified) * src/UIElements/Menu/MenuItem.cpp (modified) * src/UIElements/Menu/SeperatorItem.cpp (modified) * src/UIElements/Menu/SubMenuItem.cpp (modified) * src/UIElements/Menu/TextMenu.cpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/UIElements/TextUI/TextStatusIndicator.cpp (modified) * src/UIElements/TextUI/TextUIFactory.cpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) * src/UIElements/UIFactory.cpp (modified) * src/UIElements/Views/MethodStringView.cpp (modified) * src/UIElements/Views/StreamStringView.cpp (modified) * src/UIElements/Views/StringView.cpp (modified) * src/UIElements/Views/View.cpp (modified) * src/World.cpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticleinfo.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_graphnodeinfo.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/atom_trajectoryparticleinfo.cpp (modified) * src/bond.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/element.cpp (modified) * src/elements_db.cpp (modified) * src/ellipsoid.cpp (modified) * src/errorlogger.cpp (modified) * src/graph.cpp (modified) * src/gslmatrix.cpp (modified) * src/gslvector.cpp (modified) * src/helpers.cpp (modified) * src/info.cpp (modified) * src/joiner.cpp (modified) * src/leastsquaremin.cpp (modified) * src/linearsystemofequations.cpp (modified) * src/linkedcell.cpp (modified) * src/log.cpp (modified) * src/logger.cpp (modified) * src/memoryallocator.cpp (modified) * src/memoryusageobserver.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/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/triangleintersectionlist.cpp (modified) * src/vector.cpp (modified) * src/vector_ops.cpp (modified) * src/verbose.cpp (modified) Added #include "Helpers/MemDebug.hpp" to all .cpp files Wed, 09 Jun 2010 15:10:51 GMT Frederik Heber [2b5574] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-analysis.at (modified) Case 'm' is now handled by CommandLineUI. - TESTCHANGE: Analysis/5 ... Wed, 09 Jun 2010 15:09:55 GMT Frederik Heber [31b09e] * src/Descriptors/MoleculeNameDescriptor.cpp (added) * src/Descriptors/MoleculeNameDescriptor.hpp (added) * src/Descriptors/MoleculeNameDescriptor_impl.hpp (added) * src/Makefile.am (modified) Added new MoleculeDescriptor by name. - molecule Ids are rather ... Wed, 09 Jun 2010 15:08:46 GMT Frederik Heber [58bbd3] * src/Actions/MapOfActions.cpp (modified) * src/analysis_correlation.cpp (modified) * src/builder.cpp (modified) * src/moleculelist.cpp (modified) * tests/regression/Analysis/3/post/bin_output.csv (modified) * tests/regression/testsuite-analysis.at (modified) Cases 'C' are now handled by CommandLineUI. - TESTFIX: ... Wed, 09 Jun 2010 14:30:10 GMT Tillmann Crueger [cd5047] * src/Actions/Process.cpp (modified) * src/Parser/ChangeTracker.cpp (modified) * src/Parser/FormatParser.cpp (modified) * src/Patterns/Cacheable.hpp (modified) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified) * src/UIElements/TextUI/TextStatusIndicator.cpp (modified) * src/World.cpp (modified) * src/builder.cpp (modified) * src/molecule.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Added Logging capabilities to Observer Framework Wed, 09 Jun 2010 14:09:46 GMT Frederik Heber [1e6913] * src/Actions/ActionRegistry.cpp (modified) * src/Actions/ActionRegistry.hpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * tests/regression/testsuite-fragmentation.at (modified) Order of actions called did not conincide with order on command line. ... Wed, 09 Jun 2010 14:06:23 GMT Frederik Heber [94d131] * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) Helpful messages added to find failing queries in CommandLineUI. - ... Wed, 09 Jun 2010 14:04:54 GMT Frederik Heber [104524] * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (deleted) * src/Actions/AnalysisAction/PairCorrelationToPointAction.hpp (deleted) * src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (deleted) * src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp (deleted) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/Makefile.am (modified) * src/Legacy/oldmenu.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/UIElements/TextUI/TextDialog.hpp (modified) Changed PairCorrelationAction to incorporate all three cases and ... Wed, 09 Jun 2010 11:12:08 GMT Frederik Heber [c78d44] * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/builder.cpp (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) Change to PairCorrelation...() functions, accept now vector [8540f0] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case 'D' is now handled by CommandLineUI. Tue, 08 Jun 2010 13:49:27 GMT Frederik Heber [e4b5de] * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/builder.cpp (modified) * tests/regression/Fragmentation/3/pre/BondFragment0.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment1.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment2.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment3.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragment4.conf (deleted) * tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (deleted) * tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (deleted) * tests/regression/testsuite-fragmentation.at (modified) Case 'f' is now handled by CommandLineUI. - ... Tue, 08 Jun 2010 12:13:11 GMT Frederik Heber [48ab70a] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case 'u' is now handled by CommandLineUI. Tue, 08 Jun 2010 11:18:45 GMT Frederik Heber [f2a1d3] * src/Makefile.am (modified) Merge branch 'FixRemovedElementsDBFromMakefile' into stable - ... Tue, 08 Jun 2010 11:13:33 GMT Frederik Heber [4ed18b] * src/periodentafel.cpp (modified) Merge branch 'FixPeriodenTafelConstructorLoadDBs' into stable Tue, 08 Jun 2010 11:12:24 GMT Frederik Heber [e58856b] * src/Makefile.am (modified) BUGFIX: elements.db has disappeared to early from .._DATA. - we ... Tue, 08 Jun 2010 11:00:53 GMT Frederik Heber [b0e9c9] * src/periodentafel.cpp (modified) BUGFIX: Constructor of periodentafel had ASSERTs with function calls ... Mon, 07 Jun 2010 23:55:30 GMT Frederik Heber [9907e7] * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/builder.cpp (modified) * tests/regression/testsuite-filling.at (modified) Case '-F' is now handled by CommandLineUI. - FIX: ... Mon, 07 Jun 2010 23:54:32 GMT Frederik Heber [19c0e3] * configure.ac (modified) FIX: Boost >1.38 is needed for program_options to have working ... Mon, 07 Jun 2010 23:53:44 GMT Frederik Heber [0286bc] * src/Actions/Makefile.am (modified) * src/Actions/MapOfActions.cpp (modified) * src/Actions/Values.hpp (added) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) BUGFIX: ListOfDoubles changed to Box and Vector. - ListOfDoubles is ... Fri, 04 Jun 2010 12:19:41 GMT Tillmann Crueger [2c8934] * src/Helpers/Assert.cpp (modified) Repaired broken NDEBUG mode of ASSERT 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: ... Fri, 04 Jun 2010 09:01:15 GMT Tillmann Crueger [e05826] * src/Makefile.am (modified) Small corrections on Makefile Wed, 02 Jun 2010 16:31:10 GMT Frederik Heber [3610bb] * tests/regression/Simple_configuration/5/post/test.conf.in (added) test.conf.in was missing for test Simple_configuration/5. ... Wed, 02 Jun 2010 16:17:17 GMT Frederik Heber [e30ce8] * src/Actions/MapOfActions.cpp (modified) * src/Actions/MapOfActions.hpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Descriptors/MoleculePtrDescriptor.cpp (added) * src/Descriptors/MoleculePtrDescriptor.hpp (added) * src/Descriptors/MoleculePtrDescriptor_impl.hpp (added) * src/Makefile.am (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/builder.cpp (modified) Case 'd' is now handled by CommandLineUI (RepeatBoxAction). - ... Wed, 02 Jun 2010 15:18:11 GMT Tillmann Crueger [cb16fe] * src/VectorSet.cpp (added) * src/VectorSet.hpp (added) * src/atom_trajectoryparticleinfo.hpp (modified) Added a mixin that allows specifying methods for complete sets of ... Wed, 02 Jun 2010 14:40:30 GMT Frederik Heber [584a2a] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case '-O' is now handled by CommandLineUI (CenterOnEdgeAction). ... Wed, 02 Jun 2010 14:38:07 GMT Frederik Heber [116f37] * src/Actions/MapOfActions.cpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/builder.cpp (modified) Case '-c' is now handled by CommandLineUI. - BUGFIX: ... Wed, 02 Jun 2010 14:30:31 GMT Frederik Heber [accebe] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) Fix of PrepareClustersInWater (at least it does not stumble over ... Wed, 02 Jun 2010 12:22:47 GMT Frederik Heber [7fd416] * src/analysis_correlation.cpp (modified) * src/builder.cpp (modified) * src/molecule.cpp (modified) * src/molecule_geometry.cpp (modified) * src/moleculelist.cpp (modified) FIX: CorrelationToSurface() was broken. - DOCU: ... Wed, 02 Jun 2010 12:21:38 GMT Frederik Heber [6ef0a4] * src/molecule_pointcloud.cpp (modified) Removed Info objects from the small pointcloud implementation ... Wed, 02 Jun 2010 11:19:27 GMT Tillmann Crueger [190326] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionHistory.cpp (modified) * src/Actions/ActionSequence.cpp (modified) * src/Actions/ActionSequence.hpp (modified) * src/Actions/MakroAction.cpp (modified) * src/Actions/Process.cpp (modified) * src/Actions/Process.hpp (modified) * src/Actions/small_actions.cpp (modified) * src/Exceptions/CustomException.cpp (added) * src/Exceptions/CustomException.hpp (added) * src/Exceptions/LinearDependenceException.cpp (added) * src/Exceptions/LinearDependenceException.hpp (added) * src/Exceptions/MathException.cpp (added) * src/Exceptions/MathException.hpp (added) * src/Exceptions/MultipleSolutionsException.hpp (added) * src/Exceptions/SkewException.cpp (added) * src/Exceptions/SkewException.hpp (added) * src/Exceptions/ZeroVectorException.cpp (added) * src/Exceptions/ZeroVectorException.hpp (added) * src/Helpers/Assert.cpp (modified) * src/Helpers/Assert.hpp (modified) * src/Helpers/MemDebug.cpp (added) * src/Helpers/MemDebug.hpp (added) * src/Helpers/fast_functions.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Line.cpp (added) * src/Line.hpp (added) * src/Makefile.am (modified) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/Plane.cpp (added) * src/Plane.hpp (added) * src/Space.cpp (added) * src/Space.hpp (added) * src/UIElements/TextDialog.cpp (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_particleinfo.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/defs.hpp (modified) * src/ellipsoid.cpp (modified) * src/errorlogger.cpp (modified) * src/graph.cpp (modified) * src/gslmatrix.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/leastsquaremin.cpp (modified) * src/linearsystemofequations.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/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/test/ActOnAlltest.hpp (modified) * src/triangleintersectionlist.cpp (added) * src/triangleintersectionlist.hpp (added) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActOnAllUnitTest.hpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (added) * src/unittests/CountBondsUnitTest.hpp (added) * src/unittests/LineUnittest.cpp (added) * src/unittests/LineUnittest.hpp (added) * src/unittests/LinkedCellUnitTest.cpp (added) * src/unittests/LinkedCellUnitTest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) * src/unittests/PlaneUnittest.cpp (added) * src/unittests/PlaneUnittest.hpp (added) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/gslvectorunittest.hpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.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/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (added) * src/vector_ops.hpp (added) * src/verbose.cpp (modified) * src/verbose.hpp (modified) * tests/Tesselations/1_2-dimethoxyethane.test (modified) * tests/Tesselations/1_2-dimethoxyethane/1.5/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethoxyethane/2.5/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethoxyethane/2/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethoxyethane/25/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethoxyethane/3.5/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethoxyethane/3/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethoxyethane/4/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (deleted) * tests/Tesselations/1_2-dimethylbenzene.test (modified) * tests/Tesselations/1_2-dimethylbenzene/1.5/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/2.5/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/2/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/25/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/3.5/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/3/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/4/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (deleted) * tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (deleted) * tests/Tesselations/2-methylcyclohexanone.test (modified) * tests/Tesselations/2-methylcyclohexanone/1.5/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/2-methylcyclohexanone/2.5/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/2-methylcyclohexanone/2/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/2-methylcyclohexanone/25/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/2-methylcyclohexanone/3.5/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/2-methylcyclohexanone/3/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/2-methylcyclohexanone/4/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (deleted) * tests/Tesselations/C16_0-Torus.test (deleted) * tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz (deleted) * tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (deleted) * tests/Tesselations/Makefile.am (modified) * tests/Tesselations/N_N-dimethylacetamide.test (modified) * tests/Tesselations/N_N-dimethylacetamide/1.5/NonConvexEnvelope-N_N-dimethylacetamide.dat (added) * tests/Tesselations/N_N-dimethylacetamide/2.5/NonConvexEnvelope-N_N-dimethylacetamide.dat (added) * tests/Tesselations/N_N-dimethylacetamide/2/NonConvexEnvelope-N_N-dimethylacetamide.dat (added) * tests/Tesselations/N_N-dimethylacetamide/25/NonConvexEnvelope-N_N-dimethylacetamide.dat (added) * tests/Tesselations/N_N-dimethylacetamide/3.5/NonConvexEnvelope-N_N-dimethylacetamide.dat (added) * tests/Tesselations/N_N-dimethylacetamide/3/NonConvexEnvelope-N_N-dimethylacetamide.dat (added) * tests/Tesselations/N_N-dimethylacetamide/4/NonConvexEnvelope-N_N-dimethylacetamide.dat (moved) * tests/Tesselations/benzene.test (modified) * tests/Tesselations/benzene/1.5/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/2.5/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/2/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/25/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/3.5/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/3/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/4/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (deleted) * tests/Tesselations/cholesterol.test (modified) * tests/Tesselations/cholesterol/1.5/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/2.5/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/2/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/25/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/3.5/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/3/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/4/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (deleted) * tests/Tesselations/cluster.test (deleted) * tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (deleted) * tests/Tesselations/cluster/cluster.dbond (deleted) * tests/Tesselations/cluster/cluster.xyz (deleted) * tests/Tesselations/cycloheptane.test (modified) * tests/Tesselations/cycloheptane/1.5/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/2.5/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/2/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/25/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/3.5/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/3/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/4/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (deleted) * tests/Tesselations/defs.in (modified) * tests/Tesselations/dimethyl_bromomalonate.test (modified) * tests/Tesselations/dimethyl_bromomalonate/1.5/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/2.5/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/2/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/25/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/3.5/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/3/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/4/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (deleted) * tests/Tesselations/glucose.test (modified) * tests/Tesselations/glucose/1.5/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/2.5/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/2/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/25/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/3.5/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/3/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/4/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (deleted) * tests/Tesselations/heptan.test (modified) * tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/2.5/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/2/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/25/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/3.5/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/3/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/4/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (deleted) * tests/Tesselations/isoleucine.test (modified) * tests/Tesselations/isoleucine/1.5/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/2.5/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/2/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/25/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/3.5/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/3/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/4/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (deleted) * tests/Tesselations/neohexane.test (modified) * tests/Tesselations/neohexane/1.5/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/2.5/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/2/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/25/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/3.5/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/3/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/4/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (deleted) * tests/Tesselations/proline.test (modified) * tests/Tesselations/proline/1.5/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/2.5/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/2/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/25/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/3.5/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/3/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/4/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/NonConvexEnvelope-proline.dat (deleted) * tests/Tesselations/putrescine.test (modified) * tests/Tesselations/putrescine/1.5/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/2.5/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/2/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/25/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/3.5/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/3/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/4/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (deleted) * tests/Tesselations/round_cluster.test (deleted) * tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (deleted) * tests/Tesselations/round_cluster/round_cluster.dbond (deleted) * tests/Tesselations/round_cluster/round_cluster.xyz (deleted) * tests/Tesselations/tartaric_acid.test (modified) * tests/Tesselations/tartaric_acid/1.5/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/2.5/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/2/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/25/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/3.5/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/3/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/4/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (deleted) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) Merge branch 'StructureRefactoring' into MenuRefactoring Wed, 02 Jun 2010 11:03:06 GMT Tillmann Crueger [0c7ed8] * src/gslvector.cpp (modified) * src/gslvector.hpp (modified) * src/linearsystemofequations.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Passed the internal gsl_vector structure from Vector to ... Wed, 02 Jun 2010 10:51:38 GMT Tillmann Crueger [d690fa] * src/vector.cpp (modified) * src/vector.hpp (modified) Replaced array inside of Vector with gsl_vector structure. Wed, 02 Jun 2010 10:46:31 GMT Tillmann Crueger [d466f0] * src/vector.cpp (modified) * src/vector.hpp (modified) Made the internal parts of Vector use accessor functions instead of ... Wed, 02 Jun 2010 09:05:47 GMT Tillmann Crueger [27ac00] * src/Exceptions/MultipleSolutionsException.hpp (added) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/tesselation.cpp (modified) * src/unittests/PlaneUnittest.cpp (modified) * src/unittests/PlaneUnittest.hpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) Made the line-plane intersection method take a line instead of two ... Wed, 02 Jun 2010 08:37:17 GMT Frederik Heber [98a8b4] * tests/regression/Analysis/1/post/bin_output.csv (modified) * tests/regression/Analysis/2/post/bin_output-10.csv (modified) * tests/regression/Analysis/2/post/bin_output-20.csv (modified) * tests/regression/Analysis/2/post/bin_output-5.csv (modified) * tests/regression/testsuite-analysis.at (modified) TESTFIX: Analysis/... no more diff of output.csv (nameing dependent) ... Tue, 01 Jun 2010 21:36:36 GMT Frederik Heber [009607e] * src/analysis_correlation.cpp (modified) * src/builder.cpp (modified) Small changes to ...Correlation...(). - Calling doCountAtoms on all ... Tue, 01 Jun 2010 21:36:22 GMT Frederik Heber [d51975] * src/boundary.cpp (modified) Small changes to FindConvexBorder(). Signed-off-by: Frederik Heber ... Tue, 01 Jun 2010 21:04:17 GMT Frederik Heber [e0aee2b] * src/boundary.cpp (modified) * tests/regression/Filling/1/post/test.conf (modified) Bugfix of FillBoxWithMolecule() and Testfix of Filling/1 - BUGFIX: ... Tue, 01 Jun 2010 20:25:36 GMT Frederik Heber [15b670] * src/molecule_geometry.cpp (modified) * src/tesselationhelpers.cpp (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (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) Testfixes for Tesselations/1-3 and bugfixes for ... Tue, 01 Jun 2010 19:59:25 GMT Frederik Heber [0de7e8] * src/helpers.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) * tests/regression/testsuite-fragmentation.at (modified) FIX: Test Fragmentation is at MaxOrder was broken. - BUGFIX: ... Tue, 01 Jun 2010 08:02:48 GMT Frederik Heber [acf800] * src/molecule_graph.cpp (modified) * tests/regression/Molecules/2/post/test.adj (modified) * tests/regression/Molecules/2/post/test.dbond (modified) * tests/regression/Molecules/2/pre/test.conf (modified) TESTFIX: Wrong (old) ordering of conf files (IonTyp2 before IonType1) ... Tue, 01 Jun 2010 07:28:15 GMT Frederik Heber [bd6bfa] * src/bondgraph.cpp (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * tests/regression/Molecules/6/post/test.conf (modified) * tests/regression/Molecules/7/post/test.conf (modified) Fixes after first,last removal. - BUGFIX: ... Mon, 31 May 2010 19:46:59 GMT Frederik Heber [1b9321] * tests/regression/Domain/6/post/test.conf.xyz (added) Added missing test.conf.xyz for Domain/6. Signed-off-by: Frederik ... Mon, 31 May 2010 18:41:12 GMT Frederik Heber [e08c46] * src/Legacy/oldmenu.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) Removed molecule::first, molecule::last. - molecule does not have a ... 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 14:33:11 GMT Frederik Heber [42af9e] * src/builder.cpp (modified) * src/config.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/periodentafel.cpp (modified) * tests/regression/testsuite-simple_configuration.at (modified) MEMFIXES: no more default saving/loading of element's db, ... 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 ... Mon, 31 May 2010 08:34:52 GMT Frederik Heber [87b597] * tests/regression/testsuite-analysis.at (modified) TESTFIX: Removed diff of output.csv for surface correlation as this ... Mon, 31 May 2010 08:34:09 GMT Frederik Heber [5ddb8a] * tests/regression/Makefile.am (modified) * tests/regression/testsuite (deleted) Added out-sourced testsuite files to Makefile.am such that they are ... Sun, 30 May 2010 23:40:04 GMT Frederik Heber [158c594] * src/Actions/MapOfActions.cpp (modified) * src/Actions/WorldAction/CenterInBoxAction.cpp (modified) * src/builder.cpp (modified) Case '-b' now handled by CommandLineUI and fixes. - ... Sun, 30 May 2010 23:18:48 GMT Frederik Heber [2a92ff] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) Case '-s' now handled by CommandLineUI. - FIX: Type Vector has to ... Sun, 30 May 2010 23:03:49 GMT Frederik Heber [6ca1f7] * src/Actions/MapOfActions.cpp (modified) * src/builder.cpp (modified) case '-B' now handled by CommandLineUI. Sun, 30 May 2010 22:49:13 GMT Frederik Heber [26f75a] * src/Actions/MapOfActions.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/Dialog.cpp (modified) FIX: Box was not parsed correctly. - ListOf... types have to be ... Sun, 30 May 2010 20:55:12 GMT Frederik Heber [8c574b] * tests/regression/testsuite (added) * tests/regression/testsuite-analysis.at (added) * tests/regression/testsuite-domain.at (added) * tests/regression/testsuite-filling.at (added) * tests/regression/testsuite-fragmentation.at (added) * tests/regression/testsuite-graph.at (added) * tests/regression/testsuite-molecules.at (added) * tests/regression/testsuite-simple_configuration.at (added) * tests/regression/testsuite-specifics.at (added) * tests/regression/testsuite-standard_options.at (added) * tests/regression/testsuite-tesselation.at (added) * tests/regression/testsuite.at (modified) Split up testsuite into several at-scripts. - the testsuite has ... Sun, 30 May 2010 19:40:32 GMT Frederik Heber [afd01c] * tests/regression/Domain/6/post/test-x.conf (added) * tests/regression/Domain/6/post/test-y.conf (added) * tests/regression/Domain/6/post/test-z.conf (added) * tests/regression/Domain/6/post/test.conf (added) * tests/regression/Domain/6/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-d' (duplicate box) to testsuite. Sun, 30 May 2010 19:05:43 GMT Frederik Heber [746c57] * tests/regression/Filling/2/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-u' (suspend in water) to testsuite. - this is broken ... Sun, 30 May 2010 18:28:14 GMT Frederik Heber [d6d6c1] * tests/regression/Analysis/5/pre/test.conf (added) * tests/regression/Molecules/8/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-m' (principal axis system) to testsuite. Sun, 30 May 2010 17:31:15 GMT Frederik Heber [8048a4] * tests/regression/Domain/5/post/test.conf (added) * tests/regression/Domain/5/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-s' (scaling box) to testsuite.