# # ChangeLog for src # # Generated by Trac 1.6 # May 24, 2025, 10:23:02 AM 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 ... 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, ... Sat, 09 Jan 2010 11:30:49 GMT Tillmann Crueger [12b845] * src/Actions/ActionRegistry.cpp (modified) * src/UIElements/MainWindow.hpp (modified) * src/UIElements/TextUIFactory.cpp (modified) * src/UIElements/TextUIFactory.hpp (modified) * src/UIElements/TextWindow.cpp (modified) * src/UIElements/TextWindow.hpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/builder.cpp (modified) * src/menu.cpp (modified) * src/menu.hpp (modified) Seperated building of mainWindow and contained Menus - Moved code ... 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. Thu, 07 Jan 2010 13:24:06 GMT Tillmann Crueger [a56275] * src/UIElements/MainWindow.cpp (added) * src/UIElements/MainWindow.hpp (added) * src/UIElements/TextWindow.cpp (added) * src/UIElements/TextWindow.hpp (added) Added support for creating a main window using the UIFactory. Tue, 05 Jan 2010 15:34:52 GMT Tillmann Crueger [f5a86a] * src/Makefile.am (modified) * src/UIElements/Dialog.cpp (added) * src/UIElements/Dialog.hpp (added) * src/UIElements/TextDialog.cpp (added) * src/UIElements/TextDialog.hpp (added) * src/UIElements/TextUIFactory.cpp (added) * src/UIElements/TextUIFactory.hpp (added) * src/UIElements/UIFactory.cpp (added) * src/UIElements/UIFactory.hpp (added) Added Basis for creating globally accessible and compatible ... Tue, 05 Jan 2010 13:48:05 GMT Tillmann Crueger [3e026a] * src/Actions/ErrorAction.cpp (modified) * src/Actions/ErrorAction.hpp (modified) * src/menu.cpp (modified) Transitioned MergeMolecule Menu to new menu structure Tue, 05 Jan 2010 10:11:52 GMT Tillmann Crueger [820a42] * src/Actions/ErrorAction.cpp (added) * src/Actions/ErrorAction.hpp (added) * src/Makefile.am (modified) * src/menu.cpp (modified) * src/menu.hpp (modified) Extracted all methods from MergeMolecules Menu - Added new action ... Tue, 05 Jan 2010 09:23:25 GMT Tillmann Crueger [235bed] * src/builder.cpp (modified) * src/config.cpp (modified) * src/config.hpp (modified) * src/menu.cpp (modified) * src/menu.hpp (modified) Moved saveConfig method from oldmenu to a method inside config class Sat, 02 Jan 2010 15:53:39 GMT Tillmann Crueger [6b932c7] * src/menu.cpp (modified) * src/menu.hpp (modified) Removed unecessary method stubs from oldmenu class Sat, 02 Jan 2010 15:49:40 GMT Tillmann Crueger [477bb2] * src/menu.cpp (modified) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) Moved several Methods from Menu to MoleculeListClass Sat, 02 Jan 2010 15:28:29 GMT Tillmann Crueger [096214] * src/menu.cpp (modified) * src/menu.hpp (modified) Made EditMoleculesMenu a Submenu inside the MainMenu Sat, 02 Jan 2010 15:18:00 GMT Tillmann Crueger [7c6f73] * src/Menu/TextMenu.cpp (modified) * src/menu.cpp (modified) Transitioned EditMoleculesMenu to new menu structure 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 12:56:55 GMT Tillmann Crueger [1020f0] * src/menu.cpp (modified) * src/menu.hpp (modified) Extracted several methods from the EditMolecules Submenu. Tue, 29 Dec 2009 12:20:20 GMT Tillmann Crueger [8f113e] * src/Menu/DisplayMenuItem.cpp (modified) * src/Menu/DisplayMenuItem.hpp (modified) * src/Menu/MenuItem.cpp (modified) * src/Menu/MenuItem.hpp (modified) * src/Menu/SeperatorItem.cpp (modified) * src/Menu/SeperatorItem.hpp (modified) * src/Menu/TextMenu.cpp (modified) * src/Menu/TextMenu.hpp (modified) Added possibility to add default Items to textMenus Tue, 29 Dec 2009 11:57:09 GMT Tillmann Crueger [77675f] * src/menu.cpp (modified) * src/menu.hpp (modified) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) Moved flipChosen method from oldmenu to MoleculeListClass 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 ... Sat, 19 Dec 2009 19:32:24 GMT Frederik Heber [71b20e] * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/molecule.hpp (modified) * src/molecule_pointcloud.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) Attempt to fix the embedding. Basically it would be working, but ... Sat, 19 Dec 2009 19:31:34 GMT Frederik Heber [3930eb] * src/analysis_correlation.cpp (modified) * src/builder.cpp (modified) * src/molecule_geometry.cpp (modified) Smaller fixes. - analysis_correlation.cpp: Info objects created at ... Thu, 17 Dec 2009 17:45:35 GMT Frederik Heber [125b3c] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Non-convex tesselation seems to be working. Seems like it has been ... 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. Thu, 17 Dec 2009 14:40:16 GMT Tillmann Crueger [898ae8] * src/menu.cpp (modified) Removed legacy code from old menu structure. Thu, 17 Dec 2009 14:38:29 GMT Tillmann Crueger [1fa107] * src/Actions/Action.hpp (modified) * src/Actions/ActionSequence.cpp (modified) * src/Actions/MakroAction.cpp (added) * src/Actions/MakroAction.hpp (added) * src/Makefile.am (modified) * src/menu.cpp (modified) Added an action that allows grouping and grouped execution of several ... Thu, 17 Dec 2009 14:21:47 GMT Tillmann Crueger [a5041ec] * src/Actions/ActionSequence.cpp (added) * src/Actions/ActionSequence.hpp (added) * src/Makefile.am (modified) Added mechanism that allow to store and later execute sequences of ... Wed, 16 Dec 2009 16:18:46 GMT Frederik Heber [0b2dd2] * src/builder.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.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) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * tests/testsuite.at (modified) Merge branch 'FixTestSuite' into FixDegeneratedTesselation Wed, 16 Dec 2009 16:18:41 GMT Frederik Heber [009e37b] * src/Makefile.am (modified) Merge branch 'FixVersioning2' into FixDegeneratedTesselation Wed, 16 Dec 2009 16:17:50 GMT Frederik Heber [482373] * src/builder.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.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) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * tests/testsuite.at (modified) Fixing the testsuite. - Putting performCriticalExit() everywhere ... Wed, 16 Dec 2009 16:01:11 GMT Frederik Heber [c135eb7] * src/Makefile.am (modified) Removed --tags as we have signed the "initial_commit" tag. - git ... Wed, 16 Dec 2009 14:40:09 GMT Tillmann Crueger [ef81b0] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/MethodAction.hpp (modified) * src/Menu/ActionMenuItem.hpp (modified) * src/Menu/DisplayMenuItem.hpp (modified) * src/Menu/Menu.hpp (modified) * src/Menu/MenuItem.cpp (modified) * src/Menu/MenuItem.hpp (modified) * src/Menu/SeperatorItem.hpp (modified) * src/Menu/TextMenu.cpp (modified) * src/Menu/TextMenu.hpp (modified) * src/Views/MethodStringView.hpp (modified) * src/Views/StreamStringView.hpp (modified) * src/Views/StringView.hpp (modified) * src/Views/View.hpp (modified) Improved documentation for menu framework. Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [c96731] * src/Menu/MenuItem.cpp (modified) * src/menu.cpp (modified) * src/menu.hpp (modified) Finished transformation of main menu. Signed-off-by: Tillmann Crueger ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [165d7d] * src/Menu/SubMenuItem.cpp (modified) * src/Menu/SubMenuItem.hpp (modified) Rebuilt SubMenuItem to use inclusion (Strategy pattern) instead of ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [c68025] * src/molecule.cpp (modified) * src/molecule.hpp (modified) Added method to flip ActiveFlag for single molecules. Signed-off-by: ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [835a0f] * src/Menu/DisplayMenuItem.cpp (modified) * src/Menu/DisplayMenuItem.hpp (modified) * src/menu.cpp (modified) * src/moleculelist.cpp (modified) Added Title to DisplayMenuItems. Signed-off-by: Tillmann Crueger ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [a306a2] * src/menu.cpp (modified) Small fix to delete the complete menu. Signed-off-by: Tillmann ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [9d8609] * src/Makefile.am (modified) * src/Menu/DisplayMenuItem.cpp (added) * src/Menu/DisplayMenuItem.hpp (added) * src/Views/MethodStringView.cpp (added) * src/Views/MethodStringView.hpp (added) * src/Views/StreamStringView.cpp (added) * src/Views/StreamStringView.hpp (added) * src/Views/StringView.cpp (added) * src/Views/StringView.hpp (added) * src/Views/View.cpp (added) * src/Views/View.hpp (added) * src/menu.cpp (modified) Added basic View functionality. - Added DisplayMenuItem to show ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [5b9bba] * src/Menu/MenuItem.cpp (modified) * src/Menu/MenuItem.hpp (modified) * src/Menu/SeperatorItem.cpp (modified) * src/Menu/SeperatorItem.hpp (modified) * src/Menu/SubMenuItem.cpp (modified) * src/Menu/SubMenuItem.hpp (modified) * src/Menu/TextMenu.cpp (modified) * src/Menu/TextMenu.hpp (modified) * src/defs.hpp (modified) Changed formating of menus and added protection to keep MenuItems ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [f767d4] * src/Menu/TextMenu.cpp (modified) Fixed memory leak in TextMenu Signed-off-by: Tillmann Crueger ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [21c246] * src/Actions/MethodAction.cpp (modified) * src/Actions/MethodAction.hpp (modified) * src/menu.cpp (modified) * src/menu.hpp (modified) Rebuild the main menu using the new structure as far as possible. ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [65b6e0] * src/Actions/Action.cpp (added) * src/Actions/Action.hpp (added) * src/Actions/MethodAction.cpp (added) * src/Actions/MethodAction.hpp (added) * src/Makefile.am (modified) * src/Menu/ActionMenuItem.cpp (added) * src/Menu/ActionMenuItem.hpp (added) * src/Menu/Menu.cpp (added) * src/Menu/Menu.hpp (added) * src/Menu/MenuItem.cpp (added) * src/Menu/MenuItem.hpp (added) * src/Menu/SeperatorItem.cpp (added) * src/Menu/SeperatorItem.hpp (added) * src/Menu/SubMenuItem.cpp (added) * src/Menu/SubMenuItem.hpp (added) * src/Menu/TextMenu.cpp (added) * src/Menu/TextMenu.hpp (added) * src/builder.cpp (modified) * src/menu.cpp (modified) * src/menu.hpp (modified) Added basic menu and action framework - Added action base class - ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [992a54] * src/menu.cpp (modified) Minor changes to menu::SaveConfig() Signed-off-by: Tillmann Crueger ... Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber [85bc8e] * doc/Doxyfile (modified) * src/Makefile.am (modified) * src/builder.cpp (modified) * src/menu.cpp (added) * src/menu.hpp (added) Started refactoring of the menu. - Created new menu class - moved all ... Wed, 16 Dec 2009 11:53:06 GMT Frederik Heber [b998c3] * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Fix attempts of the Tesselation. One problem still remains: - ... Wed, 16 Dec 2009 11:51:17 GMT Frederik Heber [5e8f82] * src/parser.cpp (modified) FIX: MatrixContainer::ParseMatrix() should not call ... Wed, 16 Dec 2009 11:49:40 GMT Frederik Heber [cd7b0f] * src/config.cpp (modified) BUGFIX: delete(mol) belongs to the commented-out ... Wed, 16 Dec 2009 11:47:47 GMT Frederik Heber [a8eb4a] * src/Makefile.am (modified) * src/builder.cpp (modified) Added versioning to each executable. - credits to Ralf Wildenhues ... Sat, 28 Nov 2009 18:01:00 GMT Frederik Heber [fad93c] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) The finding of the degenerated polygons' endpoints was not yet ... Sat, 28 Nov 2009 15:45:59 GMT Frederik Heber [856098] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) Correction of degenerated polygons is working. - Correction of ... Fri, 27 Nov 2009 14:39:06 GMT Frederik Heber [262bae] * src/boundary.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) First compiling version of CorrectDegeneratedPolygons. - several ... Fri, 27 Nov 2009 14:38:33 GMT Frederik Heber [523917] * src/config.cpp (modified) Rename of internal variable due to upcoming name-conflict with ... Thu, 26 Nov 2009 11:40:01 GMT Frederik Heber [4fc93f] * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * tests/Tesselations/defs.in (added) removing automatic dissection on loading, Tesselations test now ... Thu, 26 Nov 2009 11:36:44 GMT Frederik Heber [27bd2f] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) BUGFIX: testcase heptan was not correctly tesselated, as edges of a ... Wed, 25 Nov 2009 15:52:27 GMT Frederik Heber [7273fc] * src/tesselation.cpp (modified) Tesselation::FindStartingTriangle() now also uses ... Wed, 25 Nov 2009 15:29:18 GMT Frederik Heber [f67b6e] * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) Multi-Candidate-Add included and incorporated class Info into ... 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 ... Wed, 25 Nov 2009 12:18:18 GMT Frederik Heber [1e168b] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Now the best (in terms of ShortestAngle) baseline is picked among all ... Tue, 24 Nov 2009 15:48:36 GMT Frederik Heber [791138] * src/atom_bondedparticle.cpp (modified) BUGFIX atom::CorrectBonDegree() wrongly increased bond degrees. - ... Tue, 24 Nov 2009 15:34:49 GMT Frederik Heber [6a7f78c] * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/molecule.hpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.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/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) Fixes and naming of final Tecplot output file is now molecule name. ... Mon, 23 Nov 2009 19:09:42 GMT Frederik Heber [c5f836] * src/config.cpp (modified) * src/errorlogger.cpp (modified) * src/tesselationhelpers.cpp (modified) bugfix to errorLogger and some error verbosity changes. - BUGFIX: ... Mon, 23 Nov 2009 18:51:50 GMT Frederik Heber [e359a8] * src/analysis_correlation.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/helpers.hpp (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/parser.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) Fixing ticket #18. - each eLog() << Verbose(0) is now followed by ... Mon, 23 Nov 2009 18:22:33 GMT Frederik Heber [717e0c] * src/analyzer.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/linkedcell.cpp (modified) * src/memoryusageobserver.cpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/vector.cpp (modified) Verbosity corrected for ERROR and WARNING - present ERROR and ... Tue, 10 Nov 2009 20:59:00 GMT Frederik Heber [f1ef60a] * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) Attempt to fix tesselation for case 1_2-dimethylbenzene. - The ... Tue, 10 Nov 2009 20:58:31 GMT Frederik Heber [9a0dc8] * src/builder.cpp (modified) Only biggest molecule is tesselated for now in ... Tue, 10 Nov 2009 20:53:33 GMT Frederik Heber [89f768] * src/errorlogger.cpp (modified) * src/logger.cpp (modified) * src/verbose.hpp (modified) BUGFIX: Output is again indented, errorLogger prefixes according to ... 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 ...