# # ChangeLog for src/unittests # # Generated by Trac 1.4.4 # Dec 28, 2024, 2:58:48 AM Fri, 19 Mar 2010 16:13:28 GMT Tillmann Crueger [b64313] * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) Improved Observer Framework to include methods to report the state ... Fri, 19 Mar 2010 15:50:01 GMT Tillmann Crueger [e0b6fd] * src/Patterns/Cacheable.hpp (modified) * src/molecule.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) Rebuilt Cacheables using the state pattern Fri, 19 Mar 2010 13:29:01 GMT Tillmann Crueger [ea7176] * src/Legacy/oldmenu.cpp (modified) * src/Patterns/Cacheable.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) FIX: Made AtomCount a Cacheable so that the number of atoms in a ... Fri, 19 Mar 2010 10:50:06 GMT Tillmann Crueger [80c63d] * src/Helpers/Assert.cpp (modified) * src/Helpers/Assert.hpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) Added more functionality to custom asserts. - Asserts allow now ... Thu, 18 Mar 2010 16:45:41 GMT Tillmann Crueger [8d2772] * src/Helpers/Assert.cpp (modified) * src/molecule.cpp (modified) * src/tesselation.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) Changed conditional criticalExit in constructor of ... Fri, 05 Mar 2010 10:16:47 GMT Frederik Heber [9879f6] * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (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.hpp (modified) * src/lists.cpp (deleted) * src/lists.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/molecule_template.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (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) Huge Refactoring due to class molecule now being an STL container. ... Thu, 04 Mar 2010 15:20:51 GMT Tillmann Crueger [bd58fb] * src/Patterns/ObservedIterator.hpp (added) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) Added an iterator pattern for observed Data structures 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 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 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 ... 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 15:06:38 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 14:17:15 GMT Frederik Heber [9b6b2f] * configure.ac (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/DescriptorUnittest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/TestRunnerMain.cpp (added) * src/unittests/UnitTestMain.cpp (added) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (modified) * src/unittests/gslmatrixunittest.cpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/infounittest.cpp (modified) * src/unittests/linearsystemofequationsunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/memoryusageobserverunittest.cpp (modified) * src/unittests/stackclassunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) Tests now work with Eclipse ECUT's TestRunner. - new switch in ... Wed, 24 Feb 2010 16:21:12 GMT Tillmann Crueger [46d958] * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/lists.cpp (added) * src/lists.hpp (modified) * src/molecule.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/DescriptorUnittest.cpp (modified) * src/unittests/DescriptorUnittest.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/atomsCalculationTest.hpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Made the world solely responsible for creating and destroying atoms. Fri, 19 Feb 2010 14:31:56 GMT Tillmann Crueger [b54ac8] * src/Actions/AtomsCalculation.hpp (added) * src/Actions/AtomsCalculation_impl.hpp (added) * src/Actions/Calculation.hpp (modified) * src/Actions/Calculation_impl.hpp (modified) * src/World.hpp (modified) * src/World_calculations.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/atomsCalculationTest.cpp (added) * src/unittests/atomsCalculationTest.hpp (added) * src/unittests/manipulateAtomsTest.cpp (modified) Added templates that allow arbitrary calculations on atoms to be ... Fri, 19 Feb 2010 11:49:54 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 Tue, 16 Feb 2010 16:24:07 GMT Tillmann Crueger [7a1ce5] * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/AtomDescriptor_impl.hpp (added) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/Descriptors/AtomIdDescriptor.hpp (modified) * src/Descriptors/AtomIdDescriptor_impl.hpp (added) * src/World.cpp (modified) * src/World.hpp (modified) * src/atom_particleinfo.hpp (modified) * src/unittests/DescriptorUnittest.cpp (added) * src/unittests/DescriptorUnittest.hpp (added) * src/unittests/Makefile.am (modified) Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for ... Fri, 05 Feb 2010 14:59:41 GMT Tillmann Crueger [4d9c01] * configure.ac (modified) * m4/m4_ax_boost_thread.m4 (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/unittests/Makefile.am (modified) Fixed some problems with the usage of Boost::threads 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. 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 12:00:19 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 ... Wed, 27 Jan 2010 14:36:09 GMT Tillmann Crueger [04b6f9] * src/Makefile.am (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/gslmatrix.cpp (added) * src/gslmatrix.hpp (added) * src/gslvector.cpp (added) * src/gslvector.hpp (added) * src/helpers.hpp (modified) * src/joiner.cpp (modified) * src/linearsystemofequations.cpp (added) * src/linearsystemofequations.hpp (added) * src/memoryallocator.hpp (modified) * src/memoryusageobserver.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (added) * src/unittests/gslmatrixsymmetricunittest.hpp (added) * src/unittests/gslmatrixunittest.cpp (added) * src/unittests/gslmatrixunittest.hpp (added) * src/unittests/gslvectorunittest.cpp (added) * src/unittests/gslvectorunittest.hpp (added) * src/unittests/linearsystemofequationsunittest.cpp (added) * src/unittests/linearsystemofequationsunittest.hpp (added) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (added) * src/unittests/tesselation_boundarytriangleunittest.hpp (added) * src/unittests/tesselation_insideoutsideunittest.cpp (added) * src/unittests/tesselation_insideoutsideunittest.hpp (added) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) * src/vector.cpp (modified) * src/version.h (added) * tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring ... Tue, 26 Jan 2010 12:45:41 GMT Tillmann Crueger [1ca488] * src/Makefile.am (modified) * src/atom_bondedparticle.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/info.cpp (added) * src/info.hpp (added) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/infounittest.cpp (added) * src/unittests/infounittest.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) * tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified) * tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified) * tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified) * tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified) * tests/Tesselations/Makefile.am (modified) * tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified) * tests/Tesselations/benzene.test (added) * tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added) * tests/Tesselations/benzene/benzene.xyz (added) * tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified) * tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified) * tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified) * tests/Tesselations/defs.in (modified) * tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified) * tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified) * tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified) * tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified) * tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified) * tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified) * tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified) * tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified) * tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * tests/testsuite.at (modified) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring ... Thu, 14 Jan 2010 17:43:34 GMT Frederik Heber [e9c677] * src/unittests/Makefile.am (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (added) * src/unittests/tesselation_boundarytriangleunittest.hpp (added) Unit test for BoundaryTriangleSet member functions added. - for now ... 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 19:15:01 GMT Frederik Heber [31a6af] * src/unittests/Makefile.am (modified) libgslwrapper.a added to LDADD of most tests. Since Vector class ... Sun, 10 Jan 2010 19:05:34 GMT Frederik Heber [49e1ae] * src/analyzer.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/joiner.cpp (modified) * src/molecule.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) cstring header was missing in files, supplying definition of strlen, ... Fri, 08 Jan 2010 17:48:35 GMT Frederik Heber [f60610] * src/Makefile.am (modified) * src/linearsystemofequations.cpp (added) * src/linearsystemofequations.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/linearsystemofequationsunittest.cpp (added) * src/unittests/linearsystemofequationsunittest.hpp (added) Wrapper class for gsl_linalg along with working Unit test. - new ... Fri, 08 Jan 2010 17:46:51 GMT Frederik Heber [fc3b67] * src/Makefile.am (modified) * src/gslmatrix.cpp (added) * src/gslmatrix.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (added) * src/unittests/gslmatrixsymmetricunittest.hpp (added) * src/unittests/gslmatrixunittest.cpp (added) * src/unittests/gslmatrixunittest.hpp (added) Wrapper class for gsl_matrix along with working Unit test. - new ... Fri, 08 Jan 2010 17:44:51 GMT Frederik Heber [9fb860] * src/Makefile.am (modified) * src/gslvector.cpp (added) * src/gslvector.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/gslvectorunittest.cpp (added) * src/unittests/gslvectorunittest.hpp (added) Wrapper class for gsl_vector along with working Unit test. - new ... Fri, 08 Jan 2010 14:04:22 GMT Frederik Heber [97498a] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/vector.cpp (modified) Attempt to fix the tesselation::IsInnerPoint(). We try the ... Thu, 07 Jan 2010 14:46:34 GMT Tillmann Crueger [cc04b7] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionRegistry.cpp (added) * src/Actions/ActionRegistry.hpp (added) * src/Actions/ErrorAction.cpp (modified) * src/Actions/ErrorAction.hpp (modified) * src/Actions/MakroAction.cpp (modified) * src/Actions/MakroAction.hpp (modified) * src/Actions/MethodAction.cpp (modified) * src/Actions/MethodAction.hpp (modified) * src/Makefile.am (modified) * src/UIElements/TextUIFactory.cpp (modified) * src/UIElements/TextUIFactory.hpp (modified) * src/UIElements/TextWindow.cpp (modified) * src/UIElements/UIFactory.cpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/builder.cpp (modified) * src/menu.cpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) Added a central registry that allows access to actions by name. Tue, 29 Dec 2009 14:48:49 GMT Frederik Heber [c15ca2] * src/analysis_correlation.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (added) * src/unittests/tesselation_insideoutsideunittest.hpp (added) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) Changes to FindClosest...ToVector() and use of ..Map,..Set,..List ... Tue, 29 Dec 2009 11:47:57 GMT Tillmann Crueger [0229f9] * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/ActionSequenceTest.hpp (modified) Added more tests for Actionsequence - Test if every included object ... Thu, 17 Dec 2009 16:56:06 GMT Tillmann Crueger [147339] * src/unittests/ActionSequenceTest.cpp (added) * src/unittests/ActionSequenceTest.hpp (added) * src/unittests/Makefile.am (modified) Added unittest for ActionSequence. Wed, 25 Nov 2009 15:28:39 GMT Frederik Heber [8725ed] * src/Makefile.am (modified) * src/info.cpp (added) * src/info.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/infounittest.cpp (added) * src/unittests/infounittest.hpp (added) * src/verbose.cpp (modified) New Info class that contains a global verbosity level, increased per ... Sat, 07 Nov 2009 12:27:15 GMT Frederik Heber [9a7186] * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) BUGFIX: unnecessary include in header, file not closed in definition ... Sat, 07 Nov 2009 12:25:32 GMT Frederik Heber [220cf37] * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/analysisbondsunittest.hpp (modified) Two new bond analysis functions. - GetMaxMinMeanBondCount() - ... Sat, 07 Nov 2009 09:46:08 GMT Frederik Heber [96c961] * src/Makefile.am (modified) * src/analysis_bonds.cpp (added) * src/analysis_bonds.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (added) * src/unittests/analysisbondsunittest.hpp (added) Added initial analysis_bonds.cpp and unit test for Analysis of bonds. ... Wed, 04 Nov 2009 19:56:04 GMT Frederik Heber [e138de] * src/Makefile.am (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_graphnode.hpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/bondgraph.cpp (modified) * src/bondgraph.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/element.cpp (modified) * src/element.hpp (modified) * src/ellipsoid.cpp (modified) * src/ellipsoid.hpp (modified) * src/errorlogger.cpp (moved) * src/errorlogger.hpp (moved) * src/graph.cpp (modified) * src/graph.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/log.cpp (modified) * src/log.hpp (modified) * src/logger.cpp (modified) * src/memoryallocator.hpp (modified) * src/memoryusageobserver.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/molecule_template.hpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/test/ActOnAlltest.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/stackclassunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) Huge change from ofstream * (const) out --> Log(). - first shift ... Wed, 04 Nov 2009 18:25:42 GMT Frederik Heber [7326b2] * src/Makefile.am (modified) * src/errorLogger.cpp (added) * src/errorLogger.hpp (added) * src/log.cpp (added) * src/log.hpp (added) * src/logger.cpp (added) * src/logger.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/logunittest.cpp (added) * src/unittests/logunittest.hpp (added) * src/verbose.cpp (modified) * src/verbose.hpp (modified) Merge branch 'CodeRefactoring' of ... Wed, 04 Nov 2009 18:15:10 GMT Frederik Heber [7ea9e6] * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/builder.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/vector.cpp (modified) Periodic variants of AnalysisPair...() implemented. - BUGFIX: ... Wed, 04 Nov 2009 14:54:31 GMT Frederik Heber [a5551b] * 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) Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass ... Tue, 03 Nov 2009 12:38:08 GMT Frederik Heber [2aeefd] * src/unittests/Makefile.am (modified) Removed libmolecuilder linking from unit tests where only some few ... Tue, 03 Nov 2009 12:37:55 GMT Frederik Heber [7218f8] * src/builder.cpp (modified) * src/config.cpp (modified) * src/helpers.hpp (modified) * src/memoryallocator.hpp (modified) * src/memoryusageobserver.cpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/stackclass.hpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) Several memory bugfixes (thx valgrind). - main() - shortened case ... Fri, 30 Oct 2009 15:49:38 GMT Frederik Heber [b21a64] * src/bondgraph.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/config.hpp (modified) * src/unittests/bondgraphunittest.cpp (modified) BondGraph is parsed if command line switch '-g' is given. - ... Fri, 30 Oct 2009 11:04:50 GMT Saskia Metzler [06c7a3] * src/errorLogger.cpp (added) * src/errorLogger.hpp (added) * src/log.cpp (added) * src/log.hpp (added) * src/logger.cpp (added) * src/logger.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/logunittest.cpp (added) * src/unittests/logunittest.hpp (added) * src/verbose.cpp (modified) * src/verbose.hpp (modified) Ticket 43 Create a logging class The verbosity level can now be ... Fri, 30 Oct 2009 09:05:30 GMT Frederik Heber [b70721] * src/Makefile.am (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/bondgraph.cpp (added) * src/bondgraph.hpp (added) * src/builder.cpp (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/bondgraphunittest.cpp (added) * src/unittests/bondgraphunittest.hpp (added) New class BondGraph. - BondGraph parses a file containing bond ... Fri, 30 Oct 2009 08:29:31 GMT Frederik Heber [46ea3b] * src/test/ActOnAlltest.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActOnAllUnitTest.hpp (modified) * src/unittests/Makefile.am (modified) Test code is moved to its own source subdirectory: test. - ... Fri, 30 Oct 2009 08:29:07 GMT Frederik Heber [8c5327] * src/test/ActOnAlltest.hpp (moved) * src/unittests/stackclassunittest.cpp (added) * src/unittests/stackclassunittest.hpp (added) Added Unit test for StackClass. - was former ... Thu, 29 Oct 2009 10:09:05 GMT Frederik Heber [d96277] * src/stackclass.hpp (modified) * src/unittests/Makefile.am (modified) Refactored StackClass with respect to tickets #38, #4. - #38 make ... Tue, 27 Oct 2009 16:11:22 GMT Frederik Heber [776b64] * configure.ac (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/ellipsoid.cpp (modified) * src/leastsquaremin.cpp (modified) * src/leastsquaremin.hpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Huge refactoring to make const what is const (ticket #38), continued. ... Tue, 27 Oct 2009 08:53:25 GMT Frederik Heber [831a14] * src/unittests/Makefile.am (modified) ..._CPPFLAGS and ..._LDFLAGS in unittests/Makefile.am put into global ... Sun, 18 Oct 2009 14:51:38 GMT Frederik Heber [266237] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/bond.cpp (modified) * src/bond.hpp (modified) * src/builder.cpp (modified) * src/linkedcell.cpp (modified) * src/lists.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_template.hpp (modified) * src/moleculelist.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/listofbondsunittest.cpp (added) * src/unittests/listofbondsunittest.hpp (added) Huge refactoring: molecule::ListOfBondsPerAtom and ... Wed, 14 Oct 2009 11:18:14 GMT Frederik Heber [bbc338] * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) Unit tests AnalysisCorrelation is done. - four carbon atoms were ... Tue, 13 Oct 2009 16:42:58 GMT Frederik Heber [c4d4df] * src/Makefile.am (modified) * src/analysis_correlation.cpp (added) * src/analysis_correlation.hpp (added) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (added) * src/unittests/AnalysisCorrelationToPointUnitTest.hpp (added) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (added) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (added) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (added) * src/unittests/AnalysisPairCorrelationUnitTest.hpp (added) * src/unittests/Makefile.am (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Pair correlation analysis added. - new file ... Fri, 09 Oct 2009 12:30:54 GMT Frederik Heber [c111db] * Makefile.am (modified) * configure.ac (modified) * src/Makefile.am (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/bond.cpp (modified) * src/builder.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/memoryallocator.hpp (modified) * src/memoryusageobserver.cpp (modified) * src/memoryusageobserver.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (moved) * src/unittests/ActOnAllUnitTest.hpp (moved) * src/unittests/ActOnAlltest.hpp (moved) * src/unittests/Makefile.am (added) * src/unittests/memoryallocatorunittest.cpp (moved) * src/unittests/memoryallocatorunittest.hpp (moved) * src/unittests/memoryusageobserverunittest.cpp (moved) * src/unittests/memoryusageobserverunittest.hpp (moved) * src/unittests/tesselationunittest.cpp (moved) * src/unittests/tesselationunittest.hpp (moved) * src/unittests/vectorunittest.cpp (moved) * src/unittests/vectorunittest.hpp (moved) Merge branch 'new-delete-conversion' into CodeRefactoring ... Wed, 07 Oct 2009 15:35:17 GMT metzler [b9907c] * Makefile.am (modified) * configure.ac (modified) * src/Makefile.am (modified) * src/unittests/Makefile.am (modified) Ticket 30: Put molecuilder unit tests in their own subfolder in src Wed, 07 Oct 2009 15:04:23 GMT Saskia Metzler [be90f1] * configure.ac (modified) * src/Makefile.am (modified) * src/builder.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/memoryallocator.hpp (modified) * src/unittests/Makefile.am (added) * src/unittests/memoryallocatorunittest.cpp (moved) * src/unittests/memoryallocatorunittest.hpp (moved) * src/unittests/memoryusageobserverunittest.cpp (moved) * src/unittests/memoryusageobserverunittest.hpp (moved) * src/unittests/tesselationunittest.cpp (moved) * src/unittests/tesselationunittest.hpp (moved) * src/unittests/vectorunittest.cpp (moved) * src/unittests/vectorunittest.hpp (moved) temp commit