# # ChangeLog for src # # Generated by Trac 1.6 # May 24, 2025, 10:28:38 AM Thu, 11 Mar 2010 10:37:32 GMT Tillmann Crueger [d7940e] * src/Actions/small_actions.cpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/Patterns/Singleton.hpp (modified) * src/Patterns/Singleton_impl.hpp (modified) * src/UIElements/UIFactory.cpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/builder.cpp (modified) Made the UIFactory an instance of the Singleton Pattern Wed, 10 Mar 2010 17:51:48 GMT Tillmann Crueger [23b547] * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Descriptors/MoleculeDescriptor.cpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/Patterns/Singleton.hpp (added) * src/Patterns/Singleton_impl.hpp (added) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (modified) * src/atom.cpp (modified) * src/atom_atominfo.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/defs.hpp (modified) * src/molecule.cpp (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/AtomDescriptorTest.cpp (modified) * src/unittests/MoleculeDescriptorTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Added generic singleton Pattern that can be inherited to any class ... Thu, 04 Mar 2010 16:03:57 GMT Tillmann Crueger [31af19] * src/World.hpp (modified) Made the World Iterators conform to STL-Structure 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 Wed, 03 Mar 2010 17:47:40 GMT Tillmann Crueger [88d586] * src/World.cpp (modified) * src/World.hpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) Added mechanisms that allow reuse of IDs and changing Ids of Atoms Wed, 03 Mar 2010 15:46:03 GMT Tillmann Crueger [1c51c8] * src/Descriptors/MoleculeDescriptor.cpp (added) * src/Descriptors/MoleculeDescriptor.hpp (added) * src/Descriptors/MoleculeDescriptor_impl.hpp (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (modified) * src/molecule_template.hpp (modified) Added methods for querying molecules using descriptors Wed, 03 Mar 2010 13:57:41 GMT Tillmann Crueger [dbb474] * src/Actions/Calculation.hpp (modified) * src/Actions/Process.cpp (modified) * src/Actions/Process.hpp (modified) * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/AtomDescriptor_impl.hpp (modified) * src/Patterns/Observer.hpp (modified) * src/UIElements/MainWindow.hpp (modified) * src/UIElements/UIFactory.hpp (modified) Improved Doxygen documentation 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 ... Fri, 26 Feb 2010 13:04:59 GMT Tillmann Crueger [1f2217] * src/Makefile.am (modified) * src/datacreator.cpp (modified) Small fixes Fri, 26 Feb 2010 12:40:52 GMT Tillmann Crueger [24a5e0] * src/Actions/MakroAction.cpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Actions/Process.cpp (modified) * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomDescriptor_impl.hpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor_impl.hpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Descriptors/AtomTypeDescriptor_impl.hpp (modified) * 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/UIElements/Dialog.cpp (modified) * src/UIElements/TextDialog.cpp (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 (modified) * src/atom_particleinfo.cpp (modified) * src/boundary.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselationhelpers.cpp (modified) Added -Wall flag and fixed several small hickups Fri, 26 Feb 2010 11:47:16 GMT Tillmann Crueger [7042f45] * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomDescriptor_impl.hpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor.hpp (modified) * src/Descriptors/AtomIdDescriptor_impl.hpp (modified) * src/World.hpp (modified) * src/defs.hpp (modified) Changed the type of AtomIds and MoleculeIds to an opaque type Fri, 26 Feb 2010 10:02:12 GMT Frederik Heber [e6fdbe] * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/infounittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/stackclassunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) MEMLEAK: In many tests World, MemoryUsageObserver, logger or ... Fri, 26 Feb 2010 10:01:50 GMT Frederik Heber [5e5283] * src/unittests/ObserverTest.cpp (modified) FIX: Values have been used uninitialized. Fri, 26 Feb 2010 10:01:30 GMT Frederik Heber [5c8592] * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.hpp (modified) MEMLEAK: TesselPoints and Vectors created during ... Fri, 26 Feb 2010 09:58:39 GMT Frederik Heber [1ec0ac] * src/unittests/memoryusageobserverunittest.cpp (modified) MEMLEAK: Lots of Free() have been forgotten after Malloc's at start ... Fri, 26 Feb 2010 09:55:28 GMT Frederik Heber [b84d5d] * src/vector.cpp (modified) * src/vector.hpp (modified) FIX: operator implementation of Vector algebra was wrong and caused ... Fri, 26 Feb 2010 09:54:46 GMT Frederik Heber [e3cbf9] * src/boundary.cpp (modified) * src/molecule_dynamics.cpp (modified) FIX: Values in FindNonConvexBorder() and ... Fri, 26 Feb 2010 09:54:12 GMT Frederik Heber [aac3ef] * src/builder.cpp (modified) FIX: Replaced memoryusageobserverunittest.hpp include by correct ... Thu, 25 Feb 2010 16:56:16 GMT Tillmann Crueger [cf1a07] * src/Actions/ActionRegistry.cpp (modified) * src/Patterns/Observer.cpp (modified) FIX: repaired some access violation of STL-iterators in Observer and ... 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 15:21:22 GMT Frederik Heber [93c8ed] * src/gslmatrix.cpp (modified) MEMLEAK: mismatched delete/free, matrix in GSLMatrix::Transpose() was ... Thu, 25 Feb 2010 15:18:30 GMT Frederik Heber [d5af3e] * src/element.cpp (modified) FIX: constructor of element now is shortened and all its member ... Thu, 25 Feb 2010 15:18:06 GMT Frederik Heber [9d4c20] * src/tesselation.cpp (modified) MEMLEAK: Tesselation::CorrectAllDegeneratedPolygons() forgot to ... Thu, 25 Feb 2010 15:17:47 GMT Frederik Heber [028c2e] * src/World.cpp (modified) MEMLEAK: World class did not neither signOff() nor remove its ... Thu, 25 Feb 2010 15:06:38 GMT Frederik Heber [f72703] * src/unittests/ActOnAllUnitTest.cpp (modified) MEMLEAK: ActOnAllTest forgot to delete the copied VectorList Ref and ... Thu, 25 Feb 2010 15:05:05 GMT Frederik Heber [f59d81] * src/unittests/ActionSequenceTest.cpp (modified) MEMLEAK: created ActionSequence was not deleted at the end of some tests. Thu, 25 Feb 2010 14:32:35 GMT Frederik Heber [c296c2] * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) MEMLEAK: Observable::signOff() erases its own iterator, some more ... 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 ... Thu, 25 Feb 2010 11:02:53 GMT Tillmann Crueger [244d26] * doc/Doxyfile (modified) * src/World.cpp (modified) Removed unittest files from the documentation Thu, 25 Feb 2010 10:50:54 GMT Tillmann Crueger [d2dbac0] * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (added) moved Iterators for the World to a seperate file Thu, 25 Feb 2010 10:32:14 GMT Tillmann Crueger [0e2a47] * src/World.cpp (modified) * src/World.hpp (modified) * src/World_calculations.hpp (modified) Added overloaded methods for all methods in the world taking an ... Thu, 25 Feb 2010 10:18:50 GMT Tillmann Crueger [f16a4b] * src/Descriptors/AtomDescriptor_impl.hpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor_impl.hpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (added) * src/Descriptors/AtomTypeDescriptor.hpp (added) * src/Descriptors/AtomTypeDescriptor_impl.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) Added Descriptor that allows querying of atoms by their type Wed, 24 Feb 2010 16:44:58 GMT Tillmann Crueger [02ee15] * src/World.hpp (modified) Improved documentation of the World-class Wed, 24 Feb 2010 16:21:12 GMT Tillmann Crueger [46d958] * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/lists.cpp (added) * src/lists.hpp (modified) * src/molecule.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/DescriptorUnittest.cpp (modified) * src/unittests/DescriptorUnittest.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/atomsCalculationTest.hpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Made the world solely responsible for creating and destroying atoms. 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 11:49:54 GMT Tillmann Crueger [afb47f] * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Actions/ManipulateAtomsProcess.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) * src/unittests/manipulateAtomsTest.hpp (modified) Added a mechanism that allows the world to track changes done by the ... 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 Thu, 18 Feb 2010 16:46:07 GMT Tillmann Crueger [b2cfdb] * src/Actions/ManipulateAtomsProcess.cpp (added) * src/Actions/ManipulateAtomsProcess.hpp (added) * src/unittests/manipulateAtomsTest.cpp (added) * src/unittests/manipulateAtomsTest.hpp (added) Added a method that allows manipulation of selected atoms Thu, 18 Feb 2010 13:21:35 GMT Tillmann Crueger [865a945] * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/AtomDescriptor_impl.hpp (modified) * src/Descriptors/AtomIdDescriptor_impl.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) Added iterator structure that allows iterating over selected atoms in ... Thu, 18 Feb 2010 11:38:02 GMT Tillmann Crueger [0188ea] * src/Actions/small_actions.hpp (modified) * src/Makefile.am (modified) * src/UIElements/TextStatusIndicator.cpp (added) * src/UIElements/TextStatusIndicator.hpp (added) * src/UIElements/TextWindow.cpp (modified) * src/UIElements/TextWindow.hpp (modified) * src/builder.cpp (modified) Added a progress indicator for the text menu Thu, 18 Feb 2010 10:59:29 GMT Tillmann Crueger [7dad10] * src/Actions/Process.cpp (added) * src/Actions/Process.hpp (added) * src/Actions/small_actions.hpp (modified) * src/Makefile.am (modified) * src/World.cpp (modified) * src/builder.cpp (modified) * src/helpers.hpp (modified) Added a special class of Actions that take some time. Tue, 16 Feb 2010 17:26:59 GMT Tillmann Crueger [354859] * src/World.cpp (modified) * src/World.hpp (modified) * src/builder.cpp (modified) Moved control of molecules and periode to World. 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 ... Mon, 08 Feb 2010 16:23:03 GMT Tillmann Crueger [d1c5e2] * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor.hpp (modified) Improved Descriptor mechanism to allow calculations using descriptors. Fri, 05 Feb 2010 16:26:18 GMT Tillmann Crueger [fc1b24] * src/Descriptors/AtomDescriptor.cpp (added) * src/Descriptors/AtomDescriptor.hpp (added) * src/Descriptors/AtomIdDescriptor.cpp (added) * src/Descriptors/AtomIdDescriptor.hpp (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) Added descriptors that allow multiple kinds of access to atoms Fri, 05 Feb 2010 15:19:27 GMT Tillmann Crueger [d346b6] * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/atom.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) Made all atoms register themselves with the world upon creation 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 Fri, 05 Feb 2010 13:01:57 GMT Tillmann Crueger [442218] * src/Legacy/oldmenu.cpp (moved) * src/Legacy/oldmenu.hpp (moved) * src/Makefile.am (modified) * src/UIElements/TextWindow.cpp (modified) Added a directory to quarantine files that should be completely ... Fri, 05 Feb 2010 12:43:39 GMT Tillmann Crueger [50fc88c] * src/Patterns/Observer.hpp (modified) Made the Observer RAII-Pattern more secure. Wed, 03 Feb 2010 16:42:06 GMT Tillmann Crueger [2ba827] * src/Patterns/Observer.hpp (modified) * src/molecule.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/CacheableTest.cpp (modified) Changed all observed places to new observer structure Wed, 03 Feb 2010 16:31:45 GMT Tillmann Crueger [317df8] * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/unittests/ObserverTest.cpp (modified) Changed Observer to use RAII-style for locking changes. Wed, 03 Feb 2010 16:02:14 GMT Tillmann Crueger [5d1611] * src/Makefile.am (modified) * src/World.cpp (added) * src/World.hpp (added) Started development of World Class Wed, 03 Feb 2010 14:13:18 GMT Tillmann Crueger [314ff6] * src/Patterns/Cacheable.hpp (modified) Assigned best priority to cached values. Wed, 03 Feb 2010 14:11:10 GMT Tillmann Crueger [0c1d97] * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) Added mechanism that allows for assign priorities to observers Tue, 02 Feb 2010 16:46:29 GMT Tillmann Crueger [9ad391] * src/Makefile.am (modified) * src/Patterns/Cacheable.hpp (modified) Added possibility to disable caching mechanism at compile time Tue, 02 Feb 2010 16:22:22 GMT Tillmann Crueger [f721c6] * src/Patterns/Observer.hpp (modified) * src/molecule.cpp (modified) Made more methods of the molecule observable Tue, 02 Feb 2010 15:53:04 GMT Tillmann Crueger [ac9b56] * src/molecule.cpp (modified) * src/molecule.hpp (modified) Added simple way to retrieve formula of a molecule using caching 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 12:22:06 GMT Tillmann Crueger [a25aae] * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring Tue, 02 Feb 2010 12:21:13 GMT Tillmann Crueger [520c8b] * src/Actions/small_actions.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) Moved method to rename molecules to a seperate Action Tue, 02 Feb 2010 12:14:54 GMT Tillmann Crueger [bfce50] * src/Actions/Action.hpp (modified) * src/Actions/small_actions.cpp (added) * src/Actions/small_actions.hpp (added) * src/Makefile.am (modified) * src/builder.cpp (modified) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) Moved method to rename molecules to a seperate Action Tue, 02 Feb 2010 12:00:19 GMT Tillmann Crueger [d5f216] * src/Makefile.am (modified) * src/Patterns/Observer.hpp (modified) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) Added a view that displays all molecules using a QTableWidget 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 ... Tue, 02 Feb 2010 09:43:52 GMT Frederik Heber [1f1b23] * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/builder.cpp (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) Possibility to store all bonds to file added. So far we only could ... Sat, 30 Jan 2010 19:00:47 GMT Frederik Heber [790807] * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) Output....Correlation() don't prepend header line with '#', BinData() ... Sat, 30 Jan 2010 18:04:05 GMT Frederik Heber [d6eb80] * src/boundary.cpp (modified) FIX: FillBoxWithMolecule() - seed of random number generator was not ... Sat, 30 Jan 2010 17:35:48 GMT Frederik Heber [481601] * src/builder.cpp (modified) Added output of surfacemap in ParseCommandLineOptions(), case 'C' again. Thu, 28 Jan 2010 13:54:35 GMT Tillmann Crueger [2ededc2] * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/TextDialog.cpp (modified) * src/UIElements/TextDialog.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added possibility to query doubles and vectors using dialogs. 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 12:52:31 GMT Frederik Heber [244a84] * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/bondgraph.cpp (modified) * src/builder.cpp (modified) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) GetDistanceToSurface() separated, filling now with water instead of ... 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 ... Tue, 26 Jan 2010 12:41:04 GMT Frederik Heber [315164] * src/version.h (added) Merge branch 'FixVersioning3' into Analysis_PairCorrelation Tue, 26 Jan 2010 12:32:00 GMT Frederik Heber [f34def] * src/version.h (added) Fixed versioning. - FIX: version.h was falsely excluded in ... Thu, 14 Jan 2010 18:06:40 GMT Frederik Heber [498ea0] * src/tesselation.cpp (modified) BUGFIX: Tesselation::IsInnerPoint() returned wrong result. - We ... Thu, 14 Jan 2010 17:46:24 GMT Frederik Heber [124e14] * src/helpers.hpp (modified) Merge branch 'FixTemplatedMinMax' into FixFillingWithMolecule Thu, 14 Jan 2010 17:45:22 GMT Frederik Heber [76102e] * src/helpers.hpp (modified) Rather use parameter passing by value instead of reference. - We ... 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 ... Thu, 14 Jan 2010 17:36:09 GMT Frederik Heber [9473f6] * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) FillBoxWithMolecule now allows boundary between filler molecules and ... Thu, 14 Jan 2010 17:32:47 GMT Frederik Heber [7b36fe] * src/vector.cpp (modified) Changed verbosity for Vector::GetIntersectionWithPlane(). - when ... Thu, 14 Jan 2010 13:49:42 GMT Tillmann Crueger [8927ae] * src/menu.cpp (modified) Made embeddMolecules menu-point use the new dialog framework Wed, 13 Jan 2010 14:01:55 GMT Frederik Heber [48b47a] * src/tesselation.cpp (modified) FillWithMolecule() is now working correctly. - FillWithMolecule() ... Wed, 13 Jan 2010 14:01:30 GMT Frederik Heber [9dbea5] * src/helpers.hpp (modified) Templated Min and Max functions added. Signed-off-by: Frederik ... Wed, 13 Jan 2010 14:00:14 GMT Frederik Heber [8468cb] * src/boundary.cpp (modified) Boolean return value of Tesselation::IsInnerPoint in ... Wed, 13 Jan 2010 13:37:01 GMT Frederik Heber [fc9992] * src/tesselationhelpers.cpp (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) Small fixes to make checks working again. - Tesselations tests 13 ... Wed, 13 Jan 2010 11:05:17 GMT Tillmann Crueger [29a4cc] * src/menu.cpp (modified) Used new Query Infrastructure for SimpleAdd menupoint Wed, 13 Jan 2010 11:05:02 GMT Tillmann Crueger [7aa000] * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/TextDialog.cpp (modified) * src/UIElements/TextDialog.hpp (modified) Added infrastructure to query molecules from MoleculeList Wed, 13 Jan 2010 10:22:29 GMT Tillmann Crueger [45f5d6] * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/TextDialog.cpp (modified) * src/UIElements/TextDialog.hpp (modified) * src/builder.cpp (modified) Changed dialog structure to use objects for queries. Mon, 11 Jan 2010 10:40:20 GMT Tillmann Crueger [aab2b1] * src/menu.cpp (modified) * src/menu.hpp (modified) Removed some unessecary methods from oldMenu Mon, 11 Jan 2010 09:35:52 GMT Frederik Heber [241485] * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Removed unnecessary epsilon parameter. - epsilon before was used as ... Mon, 11 Jan 2010 09:16:36 GMT Frederik Heber [fee69b] * src/tesselation.cpp (modified) * src/vector.cpp (modified) Fixed Tesselation::IsInnerPoint() - Both unit tests ... Mon, 11 Jan 2010 03:06:30 GMT Frederik Heber [fcad4b] * src/tesselation.cpp (modified) * src/vector.cpp (modified) InsideOutside unit test of tesselation is working correctly. - FIX: ... Mon, 11 Jan 2010 03:04:59 GMT Frederik Heber [68a53b] * src/unittests/tesselation_insideoutsideunittest.cpp (modified) BUGFIX - Test was wrong in upper bounds of inside area. - upper ... Sun, 10 Jan 2010 19:25:50 GMT Frederik Heber [865272f] * src/gslmatrix.cpp (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (modified) Added Determinant() function to class GSLMatrix. - new function ... Sun, 10 Jan 2010 19:24:58 GMT Frederik Heber [2793ef] * src/gslvector.cpp (modified) FIX - GSLVector::Set() return value was double instead of void. ... Sun, 10 Jan 2010 19:24:02 GMT Frederik Heber [9d6308] * src/vector.cpp (modified) Vector::GetIntersectionOfTwoLinesOnPlane() rewritten. Use routine ... 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 ... Sun, 10 Jan 2010 19:12:40 GMT Frederik Heber [a5a630] * src/tesselationhelpers.cpp (modified) BUGFIX - GetCenterOfSphere(): condition were not put correctly in ... Sun, 10 Jan 2010 19:10:52 GMT Frederik Heber [ebe4d6] * src/molecule_dynamics.cpp (modified) BUGFIX - molecule::MinimiseConstrainedPotential() OldPotential was ... Sun, 10 Jan 2010 19:09:56 GMT Frederik Heber [1f61b6] * src/gslmatrix.hpp (modified) * src/gslvector.hpp (modified) * src/linearsystemofequations.hpp (modified) Inclusion of config.h was missing. This caused a bug with GSL's ... Sun, 10 Jan 2010 19:09:14 GMT Frederik Heber [3e50ff] * src/memoryallocator.hpp (modified) * src/memoryusageobserver.cpp (modified) cstdlib header was missing, necessary for free, malloc and calloc ...