# # ChangeLog for src/UIElements/Views # # Generated by Trac 1.4.4 # Mar 24, 2025, 6:22:50 PM Tue, 28 Jul 2015 14:03:59 GMT Frederik Heber [df3f2f] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (modified) Group item with atom count of 0 is confusing in QtMoleculeList, ... Sat, 25 Jul 2015 13:02:12 GMT Frederik Heber [9a4880] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified) FIX: QtMoleculeListView caused Command to be executed when selection ... Sat, 25 Jul 2015 13:02:12 GMT Frederik Heber [bcf056] * src/UIElements/Views/Qt4/QtTimeLine.cpp (modified) * src/UIElements/Views/Qt4/QtTimeLine.hpp (modified) FIX: QtTimeLine would cause another WorldSetTime action. - we did ... Sat, 25 Jul 2015 13:02:11 GMT Frederik Heber [9fb213] * src/UIElements/Views/Qt4/QtElementList.cpp (modified) * src/UIElements/Views/Qt4/QtElementList.hpp (modified) FIX: QtElementList now uses new updateElement(). - old refill() ... Sat, 25 Jul 2015 13:02:11 GMT Frederik Heber [ea73ce] * src/UIElements/Views/Qt4/QtElementList.cpp (modified) * src/UIElements/Views/Qt4/QtElementList.hpp (modified) Added QMutex to QtElementList for refill(). Sat, 25 Jul 2015 13:02:11 GMT Frederik Heber [7d0ddb] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp (modified) FIX: QtMoleculeItem would not correctly signOff prior to molecule ... Sat, 25 Jul 2015 13:02:11 GMT Frederik Heber [9d4f964] * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.hpp (modified) FIX: QtHomologyList::refill() is now called via signal/slot. Sat, 25 Jul 2015 13:01:45 GMT Frederik Heber [2a4b05] * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) FIX: GLWorldView was signed in to atomInserted and atomRemoved ... Sat, 25 Jul 2015 13:01:45 GMT Frederik Heber [9b56f0a] * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) FIX: GLWorldScene did not initialize SelectionMode properly. Sat, 25 Jul 2015 13:01:44 GMT Frederik Heber [73b13c] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) Extracted signing on to molecule into activateObserver. - is called ... Sat, 25 Jul 2015 13:01:21 GMT Frederik Heber [9737db] * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Views/Qt4/QDebugStream.hpp (modified) * src/UIElements/Views/Qt4/QtLogBox.cpp (modified) FIX: QDebugStream is now thread-safe. - also Fix to QTextCursor not ... Sat, 25 Jul 2015 13:01:21 GMT Frederik Heber [4965922] * src/UIElements/Views/Qt4/QtInfoBox.cpp (modified) * src/UIElements/Views/Qt4/QtInfoBox.hpp (modified) QtInfoBox updates information on update signal. Sat, 25 Jul 2015 13:01:21 GMT Frederik Heber [2f76d2] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) FIX: Fixing atomicNumber_t atomicId_t in atomRemoved and atomInserted. Sat, 25 Jul 2015 13:01:21 GMT Frederik Heber [f759e5] * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) FIX: GLWorldView must not listen to moleculeRemoved but to its ... Sat, 25 Jul 2015 13:01:20 GMT Frederik Heber [9c259e] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) FIX: GLWorldScene/View capture all missed signals for each ... Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [8923ad8] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) Removed GLMoleculeObject_molecule's init() and reinit(). - also ... Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [d619338] * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) Removed lots of code in GLWorldScene that now resides in ... Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [8d3ee6] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) FIX: GLMoleculeObject_molecule was not informed of atom index change. Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [084304] * src/UIElements/Views/Qt4/QtElementList.cpp (modified) FIX: QtElementList does not have a changed() signal. Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [e7341e] * src/UIElements/Views/Qt4/QtInfoBox.cpp (modified) * src/UIElements/Views/Qt4/QtInfoBox.hpp (modified) FIX: QtInfoBox now works mostly on ids. - slots are requested as ... Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [f3b597] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) FIX: GLMoleculeObject_molecule() may overlap with atomInserted() ... Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [a58c16] * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Actions/GraphAction/CorrectBondDegreeAction.cpp (modified) * src/Actions/GraphAction/CreateAdjacencyAction.cpp (modified) * src/Actions/GraphAction/DestroyAdjacencyAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def (modified) * src/Actions/unittests/ActionSequenceUnitTest.cpp (modified) * src/Analysis/analysis_correlation.cpp (modified) * src/Analysis/analysis_correlation.hpp (modified) * src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/Atom/unittests/CopyAtomsInterfaceUnitTest.cpp (modified) * src/Descriptors/AtomNameDescriptor.cpp (added) * src/Descriptors/AtomNameDescriptor.hpp (added) * src/Descriptors/AtomNameDescriptor_impl.hpp (added) * src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified) * src/Filling/unittests/ClusterUnitTest.cpp (modified) * src/Filling/unittests/FillerUnitTest.cpp (modified) * src/Fragmentation/Automation/VMGFragmentController.cpp (modified) * src/Graph/DepthFirstSearchAnalysis.cpp (modified) * src/Makefile.am (modified) * src/Parameters/Specifics/Value_atom.cpp (modified) * src/Parameters/Validators/Specific/TimeStepPresentValidator.cpp (modified) * src/Parser/MpqcParser.cpp (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/XmlParser.cpp (modified) * src/Parser/XyzParser.cpp (modified) * src/Parser/unittests/ParserPsi3UnitTest.cpp (modified) * src/Parser/unittests/ParserXyzUnitTest.cpp (modified) * src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified) * src/UIElements/Views/Qt4/QtElementList.cpp (modified) Replaced World::getAllAtoms() by const version where possible. Fri, 24 Jul 2015 16:44:34 GMT Frederik Heber [f01769] * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/FillAction/FillRegularGridAction.cpp (modified) * src/Actions/FillAction/FillSurfaceAction.cpp (modified) * src/Actions/FillAction/SuspendInMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/RemoveAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Analysis/analysis_bonds.cpp (modified) * src/Analysis/analysis_correlation.cpp (modified) * src/Atom/AtomSet.hpp (modified) * src/Atom/atom_bondedparticle.cpp (modified) * src/Atom/atom_bondedparticle.hpp (modified) * src/AtomIdSet.cpp (modified) * src/AtomIdSet.hpp (modified) * src/Bond/BondInfo.cpp (modified) * src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified) * src/Filling/unittests/ClusterUnitTest.cpp (modified) * src/Fragmentation/Fragmentation.cpp (modified) * src/Fragmentation/Graph.cpp (modified) * src/Fragmentation/Homology/HomologyGraph_getFromKeyset.cpp (modified) * src/Graph/AdjacencyList.cpp (modified) * src/Graph/BuildInducedSubgraph.cpp (modified) * src/Graph/BuildInducedSubgraph.hpp (modified) * src/Parameters/Specifics/Value_molecule.cpp (modified) * src/Parameters/StreamOperators.hpp (modified) * src/Parameters/Validators/Specific/AtomIdValidator.cpp (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/unittests/ParserTremoloUnitTest.cpp (modified) * src/Tesselation/boundary.cpp (modified) * src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/AtomsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp (modified) * src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified) * src/UIElements/Qt4/Query/MoleculeQtQuery.cpp (modified) * src/UIElements/TextUI/Query/AtomTextQuery.cpp (modified) * src/UIElements/TextUI/Query/AtomsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/MoleculeTextQuery.cpp (modified) * src/UIElements/TextUI/Query/MoleculesTextQuery.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/QtFragmentList.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_geometry.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AtomIdSetUnitTest.cpp (modified) Replaced World::getAtom() wherever possible by const version. - ... Fri, 24 Jul 2015 16:44:34 GMT Frederik Heber [1259df] * src/Actions/FillAction/FillVolumeAction.cpp (modified) * src/Actions/FillAction/SuspendInMoleculeAction.cpp (modified) * src/Actions/GraphAction/CreateAdjacencyAction.cpp (modified) * src/Actions/GraphAction/UpdateMoleculesAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterInBoxAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Descriptors/unittests/MoleculeDescriptorUnitTest.cpp (modified) * src/Parameters/Specifics/Value_molecule.cpp (modified) * src/UIElements/Qt4/Query/MoleculeQtQuery.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) Replaced World::getAllMolecules() wherever possible by const version. Fri, 24 Jul 2015 16:44:34 GMT Frederik Heber [63fb7a] * src/Actions/MoleculeAction/StretchBondAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (modified) * src/Descriptors/unittests/MoleculeDescriptorUnitTest.cpp (modified) * src/Parameters/StreamOperators.hpp (modified) * src/Parameters/Validators/Specific/MoleculeIdValidator.cpp (modified) * src/UIElements/CommandLineUI/Query/MoleculesCommandLineQuery.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_atomcount.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_formula.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_name.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) Replaced getMolecule() by const access version where possible. - so ... Fri, 24 Jul 2015 16:44:34 GMT Frederik Heber [97445f] * src/Descriptors/MoleculeDescriptor.cpp (modified) * src/Descriptors/MoleculeDescriptor.hpp (modified) * src/Descriptors/MoleculeDescriptor_impl.hpp (modified) * src/Descriptors/MoleculeFormulaDescriptor.cpp (modified) * src/Descriptors/MoleculeFormulaDescriptor_impl.hpp (modified) * src/Descriptors/MoleculeIdDescriptor.cpp (modified) * src/Descriptors/MoleculeIdDescriptor_impl.hpp (modified) * src/Descriptors/MoleculeNameDescriptor.cpp (modified) * src/Descriptors/MoleculeNameDescriptor_impl.hpp (modified) * src/Descriptors/MoleculeOfAtomSelectionDescriptor.cpp (modified) * src/Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp (modified) * src/Descriptors/MoleculeOrderDescriptor.cpp (modified) * src/Descriptors/MoleculeOrderDescriptor_impl.hpp (modified) * src/Descriptors/MoleculePtrDescriptor.cpp (modified) * src/Descriptors/MoleculePtrDescriptor.hpp (modified) * src/Descriptors/MoleculePtrDescriptor_impl.hpp (modified) * src/Descriptors/MoleculeSelectionDescriptor.cpp (modified) * src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (modified) * src/Shapes/unittests/stubs/WorldSelectedMoleculesStub.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) World::getMolecules..() now has const versions as well. - this ... Thu, 23 Jul 2015 14:41:49 GMT Frederik Heber [a4dee7] * src/UIElements/Views/Qt4/QtElementList.cpp (modified) * src/UIElements/Views/Qt4/QtElementList.hpp (modified) tempcommit: Attempt to replace QtElementList::refill() by faster ... Thu, 23 Jul 2015 14:41:49 GMT Frederik Heber [6b6959] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) Molecule has new channel FormulaChanged used by specific QtMoleculeItem. Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [6b474e] * src/UIElements/Views/Qt4/QtElementList.cpp (modified) * src/UIElements/Views/Qt4/QtElementList.hpp (modified) QtElementList now listens to AtomObserver and not MoleculeListClass ... Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [69b434] * src/UIElements/Qt4/QtUIFactory.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_atomcount.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_formula.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_name.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_occurrence.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_visibility.hpp (modified) QtMoleculeItem now uses moleculeId_t instead molecule*. Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [704d59] * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) Changed hoverChanged() from mol* to moleculeId_t. - also changed ... Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [eac542] * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) Fixed ObserverLog message in GLWorldView. Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [2520cc] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) FIX: GLWorldScene::changeAtomId() reinserted with oldid instead of ... Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [ec6abc] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified) FIX: QtMoleculeListView::moleculeSelected() did not check for ... Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [466934] * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) GLWorldScene::atomInserted() also adds NULL object to ..inSceneMap. Tue, 23 Jun 2015 06:29:02 GMT Frederik Heber [ef3013] * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) GLWorldScene::moleculeInserted() gets moleculeId_t as param. - we ... Fri, 12 Jun 2015 13:27:22 GMT Frederik Heber [3fa16b] * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/QtInfoBox.cpp (modified) * src/UIElements/Views/Qt4/QtStatusBar.cpp (modified) Merge branch 'GUI_niceties' into Candidate_v1.4.11 Fri, 13 Feb 2015 12:17:23 GMT Frederik Heber [19dfdf] * src/UIElements/Views/Qt4/QtStatusBar.cpp (modified) Increased timer interval in QtStatusBar to 4secs. Fri, 13 Feb 2015 12:17:23 GMT Frederik Heber [503a7fd] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) FIX: QtMoleculeList hiccup'ed on update-molecules for two water ... Fri, 13 Feb 2015 12:17:17 GMT Frederik Heber [5dcb3c] * src/UIElements/Views/Qt4/QtInfoBox.cpp (modified) QtInfoBox shows Atom's position components separately and molecule's ... Fri, 13 Feb 2015 09:18:04 GMT Frederik Heber [b9b49e] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) createMoleculeMesh now checks that minradius is at least the minimum ... Tue, 10 Feb 2015 14:09:39 GMT Frederik Heber [f47efd4] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) FIX: Bond cylinders were wrongly scaled and too long with degree ... Tue, 10 Feb 2015 14:09:39 GMT Frederik Heber [52dfcc] * src/UIElements/Views/Qt4/QDebugStream.hpp (modified) FIX: QDebugStream is now protected against multiple writes to log ... Wed, 28 Jan 2015 19:07:03 GMT Frederik Heber [2050b2] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) Commented-out all debugging messages in QtMoleculeList rewrite. Wed, 28 Jan 2015 19:07:03 GMT Frederik Heber [2696b1] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp (modified) Visibility checkstate is working for molecule and group item. - ... Wed, 28 Jan 2015 19:07:03 GMT Frederik Heber [d2dbb5d] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.hpp (modified) Moved rowsSelected() over to QtMoleculeListView. Wed, 28 Jan 2015 19:07:03 GMT Frederik Heber [53c1ff] * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp (modified) Modified QtMoleculeList to use QtMoleculeItemFactory. - ... Wed, 28 Jan 2015 19:07:01 GMT Frederik Heber [6d1e0a] * src/UIElements/Makefile.am (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.hpp (modified) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_atomcount.hpp (added) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_formula.hpp (added) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_name.hpp (added) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_occurrence.hpp (added) * src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_visibility.hpp (added) Added a slew of specific QtMoleculeItem for each of the COLUMNs. - ... Wed, 28 Jan 2015 19:06:04 GMT Frederik Heber [bed759] * src/UIElements/Makefile.am (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.cpp (added) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp (added) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (added) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.hpp (added) Added basic QtMoleculeItem and ...Factory. Tue, 27 Jan 2015 17:18:30 GMT Frederik Heber [f62e60] * src/UIElements/Makefile.am (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (moved) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp (moved) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (added) * src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.hpp (added) Moved QtMoleculeList files into own subfolder. - added ... Tue, 27 Jan 2015 17:18:30 GMT Frederik Heber [1c3390] * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.hpp (modified) Header row is correct again in QtMoleculeList. - had to overwrite ... Tue, 27 Jan 2015 17:18:30 GMT Frederik Heber [8ccf3b] * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.hpp (modified) First change to convert QtMoleculeList into QStandardItemModel. - ... Tue, 27 Jan 2015 17:18:30 GMT Frederik Heber [6770fa] * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.hpp (modified) Extracted add/removeItem in QtMoleculeList, no more complete ... Mon, 12 Jan 2015 22:10:30 GMT Frederik Heber [52cd7b] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) FIX: Bonds from new molecules are instantiated, too. - when filling ... Mon, 12 Jan 2015 22:10:30 GMT Frederik Heber [c01fec] * src/Actions/ActionQueue.cpp (modified) * src/Actions/ActionQueue.hpp (modified) * src/UIElements/Views/Qt4/QtToolBar.cpp (modified) * src/UIElements/Views/Qt4/QtToolBar.hpp (modified) * src/UIElements/Views/Qt4/QtToolBar_QtFavoriteActions.cpp (modified) Undo/Redobuttons are grayed out when respective Action not possible. Sun, 11 Jan 2015 16:42:43 GMT Frederik Heber [d7cad1] * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) * tests/regression/Selection/Molecules/MoleculeById/post/id2_4_missing.xyz (moved) * tests/regression/Selection/Molecules/MoleculeById/post/water_id2_4.xyz (moved) * tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at (modified) * tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (modified) Extended selection action for Molecule ids to multiple ids. Sun, 11 Jan 2015 16:42:43 GMT Frederik Heber [b6d92e] * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) GLWorldView's view may be changed via keyboard (especially zoom). - ... Sun, 11 Jan 2015 16:42:43 GMT Frederik Heber [f115cc] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) For GLMoleculeObject_atom element and position are only reset..() on ... Sat, 10 Jan 2015 17:14:32 GMT Frederik Heber [7b93f9] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified) Added MeshFreeType to GLMoleculeObject. Sat, 10 Jan 2015 17:14:32 GMT Frederik Heber [3eb91c] * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.hpp (modified) Molecule's Visibility can be changed "group-wise". - FIX: Removed ... Sat, 10 Jan 2015 17:14:32 GMT Frederik Heber [9a7ef9] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) Molecules can be (un)selected by clicking on the tesselation hull. Sat, 10 Jan 2015 17:14:32 GMT Frederik Heber [2b596f] * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) * src/UIElements/Views/Qt4/QtInfoBox.cpp (modified) * src/UIElements/Views/Qt4/QtInfoBox.hpp (modified) Hovering over molecules is working including update of QtInfoBox. - ... Sat, 10 Jan 2015 17:14:32 GMT Frederik Heber [7b5984] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) GLMoleculeObject_molecule listens to AtomMoved signal to update hull ... Sat, 10 Jan 2015 17:14:32 GMT Frederik Heber [34e7fdb] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_shape.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) GLMoleculeObject_molecule display tesselated surface in m_visible ... Sat, 10 Jan 2015 17:14:32 GMT Frederik Heber [739ee9] * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.hpp (modified) GLMoleculeObject have m_visible, settable in QtMoleculeList. - is ... Sat, 10 Jan 2015 17:14:21 GMT Frederik Heber [8c001a] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) GLMoleculeObject_atoms and .._bonds are now children of .._molecule. ... Sun, 19 Oct 2014 17:13:09 GMT Frederik Heber [1b6cec] * src/UIElements/Views/Qt4/Plotting/QSeisPlotPage.cpp (modified) FIX: QSeisPlotPage's dstor calls deinitializeLayout() only when ... Sun, 19 Oct 2014 17:12:37 GMT Frederik Heber [3b1798] * src/UIElements/Views/Qt4/Plotting/QSeisPlotPage.cpp (modified) * src/UIElements/Views/Qt4/Plotting/QSeisPlotPage.hpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) FIX: QtHomologyList's plot widget was too high (and fixed). - also ... Mon, 15 Sep 2014 15:05:28 GMT Frederik Heber [7f1b51] * src/Actions/Action.cpp (modified) * src/Actions/ActionQueue.cpp (modified) * src/Actions/ActionQueue.hpp (modified) * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/LoadSessionAction.def (modified) * src/Actions/CommandAction/StoreSessionAction.def (modified) * src/Actions/FragmentationAction/ClearFragmentationResultsAction.def (modified) * src/Actions/FragmentationAction/MolecularDynamicsAction.cpp (modified) * src/Actions/FragmentationAction/MolecularDynamicsAction.def (modified) * src/Actions/FragmentationAction/StructuralOptimizationAction.cpp (modified) * src/Actions/FragmentationAction/StructuralOptimizationAction.def (modified) * src/Actions/GraphAction/CorrectBondDegreeAction.cpp (modified) * src/Actions/MoleculeAction/ForceAnnealingAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/PotentialAction/FitPotentialAction.def (modified) * src/Actions/unittests/stubs/DummyUI.hpp (modified) * src/Graph/BondGraph.hpp (modified) * src/Parameters/Makefile.am (modified) * src/Parameters/Specifics/Value_atom.cpp (added) * src/Parameters/Specifics/Value_atom.hpp (added) * src/Parameters/Specifics/Value_element.cpp (added) * src/Parameters/Specifics/Value_element.hpp (added) * src/Parameters/Specifics/Value_molecule.cpp (added) * src/Parameters/Specifics/Value_molecule.hpp (added) * src/Parameters/Specifics/Value_string.cpp (moved) * src/Parameters/Specifics/Value_string.hpp (moved) * src/Parameters/Validators/Ops_Validator_impl.hpp (modified) * src/Parameters/Validators/Specific/FileSuffixValidator.hpp (modified) * src/Parameters/Validators/Specific/ParserFileValidator.cpp (modified) * src/Parameters/Validators/Specific/ParserFileValidator.hpp (modified) * src/Parameters/Validators/Validator.hpp (modified) * src/Parameters/Validators/getFlatListFromHierarchyOfValidators.hpp (added) * src/Parameters/Value.hpp (modified) * src/Tesselation/tesselation.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified) * src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified) * src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/Menu.cpp (modified) * src/UIElements/Menu/Menu.hpp (modified) * src/UIElements/Menu/Qt4/QMenu_tooltip.hpp (added) * src/UIElements/Menu/Qt4/QtMenu.hpp (modified) * src/UIElements/Qt4/QtDialog.cpp (modified) * src/UIElements/Qt4/QtDialog.hpp (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Qt4/QtUIFactory.cpp (modified) * src/UIElements/Qt4/QtUIFactory.hpp (modified) * src/UIElements/Qt4/Query/AtomsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/DoublesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/ElementsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/FileQtQuery.cpp (modified) * src/UIElements/Qt4/Query/FilesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/IntsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/MoleculesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/QtQuery.hpp (modified) * src/UIElements/Qt4/Query/QtQueryList.hpp (modified) * src/UIElements/Qt4/Query/StringsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/UnsignedIntsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/VectorsQtQuery.cpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/UIElements/TextUI/TextDialog.hpp (modified) * src/UIElements/TextUI/TextUIFactory.cpp (modified) * src/UIElements/TextUI/TextUIFactory.hpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/UIElements/Views/Qt4/Plotting/QSeisPlot.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_shape.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) * src/UIElements/Views/Qt4/QtToolBar.cpp (modified) * src/UIElements/Views/Qt4/QtToolBar.hpp (modified) * src/UIElements/Views/Qt4/QtToolBar_QtFavoriteActions.cpp (added) * src/World.cpp (modified) * tests/Python/AllActions/options.dat (modified) * tests/regression/Options/Warranty/testsuite-options-warranty.at (modified) Merge branch 'GUI_Fixes' into stable Sun, 14 Sep 2014 16:22:48 GMT Frederik Heber [8859b5] * src/Actions/ActionQueue.hpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Views/Qt4/QtToolBar.cpp (modified) * src/UIElements/Views/Qt4/QtToolBar.hpp (modified) * src/UIElements/Views/Qt4/QtToolBar_QtFavoriteActions.cpp (added) Added QtFavoriteActions to QtToolBar to spawn placeholder icons of ... Fri, 12 Sep 2014 07:57:18 GMT Frederik Heber [9bdcc9] * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) FIX: QtHomologyList lacked use of FunctionModel::filter_t to split up ... Thu, 11 Sep 2014 07:30:53 GMT Frederik Heber [0ac3e3] * src/UIElements/Views/Qt4/Plotting/QSeisPlot.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) FIX: QSeisPlotPage takes up all remaining space in QtHomologyList. ... Wed, 10 Sep 2014 19:10:27 GMT Frederik Heber [5a9f4c] * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) Removed lots of commented-out code from GLWorldView. Tue, 09 Sep 2014 22:27:26 GMT Frederik Heber [0741f4d] * src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) FIX: new item is just to some default values in QtMoleculeList, ... Tue, 09 Sep 2014 22:27:26 GMT Frederik Heber [86c013] * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/Qt4/QMenu_tooltip.hpp (added) * src/UIElements/Menu/Qt4/QtMenu.hpp (modified) * src/UIElements/Views/Qt4/QtToolBar.cpp (modified) QMenu extended for tooltips, but not working yet. - somehow no ... Tue, 09 Sep 2014 22:27:26 GMT Frederik Heber [163110] * src/Actions/Action.cpp (modified) * src/Actions/unittests/stubs/DummyUI.hpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified) * src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified) * src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/Menu/Menu.cpp (modified) * src/UIElements/Menu/Menu.hpp (modified) * src/UIElements/Menu/Qt4/QtMenu.hpp (modified) * src/UIElements/Qt4/QtDialog.cpp (modified) * src/UIElements/Qt4/QtDialog.hpp (modified) * src/UIElements/Qt4/QtUIFactory.cpp (modified) * src/UIElements/Qt4/QtUIFactory.hpp (modified) * src/UIElements/Qt4/Query/AtomsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/DoublesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/ElementsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/FilesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/IntsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/MoleculesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/QtQueryList.hpp (modified) * src/UIElements/Qt4/Query/StringsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/UnsignedIntsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/VectorsQtQuery.cpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/UIElements/TextUI/TextDialog.hpp (modified) * src/UIElements/TextUI/TextUIFactory.cpp (modified) * src/UIElements/TextUI/TextUIFactory.hpp (modified) * src/UIElements/UIFactory.hpp (modified) * src/UIElements/Views/Qt4/QtToolBar.cpp (modified) In QTUI Dialog window now has a meaningful title. - Dialog cstor ... Mon, 08 Sep 2014 21:36:29 GMT Frederik Heber [ce4126] * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) FIX: Added update mechanism to GLWorldScene when WorldTime changes. ... Mon, 08 Sep 2014 21:36:29 GMT Frederik Heber [8592c9] * src/Tesselation/tesselation.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_shape.cpp (modified) FIX: GLMoleculeObject_shape might use empty point list for ... Thu, 21 Aug 2014 06:59:33 GMT Frederik Heber [a91710] * LinearAlgebra/src/LinearAlgebra/Makefile.am (modified) * LinearAlgebra/src/unittests/Makefile.am (modified) * configure.ac (modified) * m4/boost.m4 (modified) * m4/qwt.m4 (modified) * src/Actions/ActionQueue.cpp (modified) * src/Actions/Action_impl_python.hpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Actions/unittests/Makefile.am (modified) * src/Analysis/unittests/Makefile.am (modified) * src/Atom/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/Element/unittests/Makefile.am (modified) * src/Filling/unittests/Makefile.am (modified) * src/Fragmentation/Automation/MPQCCommandFragmentController.cpp (modified) * src/Fragmentation/Automation/MPQCFragmentController.cpp (modified) * src/Fragmentation/Automation/Makefile.am (modified) * src/Fragmentation/Automation/SpecificFragmentController_ReceiveResultContainer_impl.hpp (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Homology/unittests/Makefile.am (modified) * src/Fragmentation/Interfragmenter.cpp (modified) * src/Fragmentation/Summation/Containers/Makefile.am (modified) * src/Fragmentation/Summation/Containers/unittests/Makefile.am (modified) * src/Fragmentation/Summation/Converter/Makefile.am (modified) * src/Fragmentation/Summation/Makefile.am (modified) * src/Fragmentation/Summation/SetValues/Makefile.am (modified) * src/Fragmentation/Summation/SetValues/unittests/Makefile.am (modified) * src/Fragmentation/Summation/unittests/Makefile.am (modified) * src/Fragmentation/unittests/Makefile.am (modified) * src/FunctionApproximation/unittests/Makefile.am (modified) * src/Graph/unittests/Makefile.am (modified) * src/Jobs/Makefile.am (modified) * src/Jobs/unittests/Makefile.am (modified) * src/LinkedCell/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Parameters/Makefile.am (modified) * src/Parameters/unittests/Makefile.am (modified) * src/Parser/Parameters/unittests/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/Potentials/Specifics/unittests/Makefile.am (modified) * src/Potentials/unittests/Makefile.am (modified) * src/RandomNumbers/Makefile.am (modified) * src/RandomNumbers/unittests/Makefile.am (modified) * src/Shapes/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/Tesselation/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/unittests/Makefile.am (modified) * src/UIElements/Views/Qt4/Plotting/Makefile.am (modified) * src/builder_init.cpp (modified) * src/documentation/install.dox (modified) * src/unittests/Makefile.am (modified) * tests/JobMarket/Makefile.am (modified) Merge branch 'Fixes_Ubuntu14_04' into stable Wed, 20 Aug 2014 12:59:22 GMT Frederik Heber [4d6d6a] * configure.ac (modified) * src/UIElements/Views/Qt4/QDebugStream.hpp (modified) QtGUI prints log to console (qDebug) as well. - removed in ... Wed, 20 Aug 2014 12:59:14 GMT Frederik Heber [3b35e7] * LinearAlgebra/src/LinearAlgebra/Makefile.am (modified) * LinearAlgebra/src/unittests/Makefile.am (modified) * configure.ac (modified) * m4/boost.m4 (modified) * m4/qwt.m4 (modified) * src/Fragmentation/Automation/Makefile.am (modified) * src/Fragmentation/Summation/Containers/Makefile.am (modified) * src/Fragmentation/Summation/Containers/unittests/Makefile.am (modified) * src/Fragmentation/Summation/Converter/Makefile.am (modified) * src/Fragmentation/Summation/Makefile.am (modified) * src/Fragmentation/Summation/SetValues/Makefile.am (modified) * src/Jobs/Makefile.am (modified) * src/Jobs/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/RandomNumbers/Makefile.am (modified) * src/RandomNumbers/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Views/Qt4/Plotting/Makefile.am (modified) * src/unittests/Makefile.am (modified) * tests/JobMarket/Makefile.am (modified) Fixes due to update to Ubuntu 14.04. - subdir-objects is default ... Wed, 20 Aug 2014 12:58:30 GMT Frederik Heber [3a33e3] * src/UIElements/Views/Qt4/QtTimeLine.cpp (modified) FIX: QtTimeLine::recieveNotification() checked falsely against ... Mon, 14 Jul 2014 11:16:23 GMT Frederik Heber [d8821e] * Makefile.am (modified) * configure.ac (modified) * src/Actions/ActionQueue.cpp (modified) * src/Actions/ActionQueue.hpp (modified) * src/Actions/CommandAction/ElementDbAction.cpp (modified) * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/PotentialAction/FitParticleChargesAction.cpp (modified) * src/Actions/PotentialAction/FitPotentialAction.cpp (modified) * src/Element/Makefile.am (modified) * src/Element/element.hpp (modified) * src/Element/ion.cpp (added) * src/Element/ion.hpp (added) * src/Element/periodentafel.cpp (modified) * src/Element/periodentafel.hpp (modified) * src/Element/unittests/ElementUnitTest.cpp (modified) * src/Element/unittests/IonUnitTest.cpp (added) * src/Element/unittests/IonUnitTest.hpp (added) * src/Element/unittests/Makefile.am (modified) * src/Element/unittests/PeriodentafelUnitTest.cpp (modified) * src/Fragmentation/Automation/MPQCCommandFragmentController.cpp (added) * src/Fragmentation/Automation/MPQCCommandFragmentController.hpp (added) * src/Fragmentation/Automation/MPQCFragmentController.cpp (modified) * src/Fragmentation/Automation/MPQCFragmentController.hpp (modified) * src/Fragmentation/Automation/Makefile.am (modified) * src/Fragmentation/Automation/ResultContainer.hpp (added) * src/Fragmentation/Automation/ResultContainer_impl.hpp (added) * src/Fragmentation/Automation/SpecificFragmentController.hpp (modified) * src/Fragmentation/Automation/SpecificFragmentController_ReceiveResultContainer_impl.hpp (added) * src/Fragmentation/Automation/SpecificFragmentController_ResultContainer_impl.hpp (deleted) * src/Fragmentation/Automation/VMGDebugGridFragmentController.hpp (modified) * src/Fragmentation/Automation/VMGFragmentController.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Makefile.am (modified) * src/Fragmentation/Summation/Containers/FragmentationResultContainer.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (modified) * src/Fragmentation/Summation/Containers/Makefile.am (modified) * src/Fragmentation/analyzer.cpp (deleted) * src/Fragmentation/datacreator.cpp (deleted) * src/Fragmentation/datacreator.hpp (deleted) * src/Fragmentation/joiner.cpp (deleted) * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/FunctionApproximation/FunctionApproximation.cpp (modified) * src/FunctionApproximation/FunctionApproximation.hpp (modified) * src/FunctionApproximation/FunctionModel.hpp (modified) * src/FunctionApproximation/TrainingData.cpp (modified) * src/FunctionApproximation/TrainingData.hpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified) * src/Jobs/JobMarket/FragmentJob.cpp (added) * src/Jobs/JobMarket/FragmentJob.hpp (added) * src/Jobs/JobMarket/FragmentResult.cpp (added) * src/Jobs/JobMarket/FragmentResult.hpp (added) * src/Jobs/JobMarket/JobId.cpp (added) * src/Jobs/JobMarket/JobId.hpp (added) * src/Jobs/JobMarket/SystemCommandJob.cpp (added) * src/Jobs/JobMarket/SystemCommandJob.hpp (added) * src/Jobs/JobMarket/types.hpp (added) * src/Jobs/MPQCCommandJob.hpp (modified) * src/Jobs/MPQCJob.hpp (modified) * src/Jobs/Makefile.am (modified) * src/Makefile.am (modified) * src/Potentials/CompoundPotential.cpp (modified) * src/Potentials/CompoundPotential.hpp (modified) * src/Potentials/EmpiricalPotential.hpp (modified) * src/Potentials/Specifics/ConstantPotential.cpp (modified) * src/Potentials/Specifics/ConstantPotential.hpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.hpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.hpp (modified) * src/Potentials/Specifics/PairPotential_Morse.cpp (modified) * src/Potentials/Specifics/PairPotential_Morse.hpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.hpp (modified) * src/Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/Makefile.am (modified) * src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp (modified) * src/Potentials/helpers.hpp (modified) * src/Potentials/unittests/CompoundPotentialUnitTest.cpp (modified) * src/Potentials/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) * src/cleanUp.cpp (modified) * src/documentation/constructs/potentials.dox (modified) * tests/Calculations/Makefile.am (added) * tests/Calculations/atlocal.in (added) * tests/Calculations/molecuilder.in 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tests/Fragmentations/Joining/heptan/post/pcp.Order2.forces.all (deleted) * tests/Fragmentations/Joining/heptan/post/pcp.Order3.energy.all (deleted) * tests/Fragmentations/Joining/heptan/post/pcp.Order3.forces.all (deleted) * tests/Fragmentations/Joining/heptan/post/pcp.Order4.energy.all (deleted) * tests/Fragmentations/Joining/heptan/post/pcp.Order4.forces.all (deleted) * tests/Fragmentations/Joining/heptan/post/pcp.energyfragment.all (deleted) * tests/Fragmentations/Joining/heptan/post/pcp.forcefragment.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment00/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment00/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment00/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment01/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment01/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment01/pcp.speed 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tests/Fragmentations/Joining/heptan/pre/BondFragment06/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment06/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment06/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment07/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment07/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment07/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment08/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment08/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment08/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment09/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment09/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment09/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment10/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment10/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment10/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment11/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment11/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment11/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment12/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment12/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment12/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment13/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment13/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment13/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment14/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment14/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment14/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment15/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment15/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment15/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment16/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment16/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment16/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment17/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment17/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment17/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment18/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment18/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment18/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment19/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment19/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment19/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment20/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment20/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment20/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment21/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment21/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragment21/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragmentForces-Factors.dat (deleted) * tests/Fragmentations/Joining/heptan/pre/BondFragmentKeySets.dat (deleted) * tests/Fragmentations/Joining/heptan/pre/pcp.energy.all (deleted) * tests/Fragmentations/Joining/heptan/pre/pcp.forces.all (deleted) * tests/Fragmentations/Joining/heptan/pre/pcp.speed (deleted) * tests/Fragmentations/Joining/heptan/testsuite-joining-heptan.at (deleted) * tests/Fragmentations/Makefile.am (modified) * tests/Fragmentations/joiner.in (deleted) * tests/Fragmentations/testsuite.at (modified) * tests/Makefile.am (modified) * tests/regression/Fragmentation/FragmentationAutomation/pre/test.conf (added) * tests/regression/Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at (added) * tests/regression/Fragmentation/testsuite-fragmentation.at (modified) * tests/regression/Makefile.am (modified) Merge branch 'Fragmentation_Automation_wo_JobMarket' into stable ... Sat, 28 Jun 2014 20:03:14 GMT Frederik Heber [c73e35] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionQueue.cpp (modified) * src/Actions/ActionQueue.hpp (modified) * src/Actions/ActionStatusList.cpp (added) * src/Actions/ActionStatusList.hpp (added) * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/DipoleCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/RemoveAction.cpp (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp (modified) * src/Actions/AtomAction/SaveSelectedAtomsAction.cpp (modified) * src/Actions/BondAction/BondAddAction.cpp (modified) * src/Actions/BondAction/BondRemoveAction.cpp (modified) * src/Actions/CommandAction/BondLengthTableAction.cpp (modified) * src/Actions/CommandAction/ElementDbAction.cpp (modified) * src/Actions/CommandAction/HelpAction.cpp (modified) * src/Actions/CommandAction/LoadSessionAction.cpp (modified) * src/Actions/CommandAction/VersionAction.cpp (modified) * src/Actions/FillAction/FillRegularGridAction.cpp (modified) * src/Actions/FillAction/FillSurfaceAction.cpp (modified) * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/ClearFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Actions/FragmentationAction/ParseFragmentJobsAction.cpp (modified) * src/Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp (modified) * src/Actions/GraphAction/DestroyAdjacencyAction.cpp (modified) * src/Actions/GraphAction/UpdateMoleculesAction.cpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/MoleculeAction/BondFileAction.cpp (modified) * src/Actions/MoleculeAction/ChangeBondAngleAction.cpp (modified) * src/Actions/MoleculeAction/ChangeNameAction.cpp (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/Actions/MoleculeAction/LoadAction.cpp (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified) * src/Actions/MoleculeAction/SaveBondsAction.cpp (modified) * src/Actions/MoleculeAction/SaveSelectedMoleculesAction.cpp (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified) * src/Actions/MoleculeAction/StretchBondAction.cpp (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified) * src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp (modified) * src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.cpp (modified) * src/Actions/ParserAction/SetOutputFormatsAction.cpp (modified) * src/Actions/PotentialAction/FitParticleChargesAction.cpp (modified) * src/Actions/PotentialAction/FitPotentialAction.cpp (modified) * src/Actions/PotentialAction/ParseHomologiesAction.cpp (modified) * src/Actions/PotentialAction/SaveHomologiesAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (modified) * src/Actions/SelectionAction/Shapes/NotShapeByNameAction.cpp (modified) * src/Actions/SelectionAction/Shapes/ShapeByNameAction.cpp (modified) * src/Actions/ShapeAction/CombineShapesAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/InputAction.cpp (modified) * src/Actions/WorldAction/OutputAction.cpp (modified) * src/Actions/WorldAction/OutputAsAction.cpp (modified) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.hpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.cpp (modified) * src/UIElements/TextUI/TextStatusIndicator.cpp (modified) * src/UIElements/TextUI/TextStatusIndicator.hpp (modified) * src/UIElements/Views/Qt4/QtStatusBar.cpp (modified) * src/UIElements/Views/Qt4/QtStatusBar.hpp (modified) Merge branch 'StatusToAllActions' into stable Sat, 28 Jun 2014 00:51:35 GMT Frederik Heber [0ef912] * src/UIElements/Views/Qt4/QtLogBox.cpp (modified) * src/UIElements/Views/Qt4/QtLogBox.hpp (modified) QtLogBox catches mousePressEvent and selects atom in log. - this ... Sat, 28 Jun 2014 00:50:42 GMT Frederik Heber [e0b5f0] * src/UIElements/Makefile.am (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Qt4/QtMainWindow.hpp (modified) * src/UIElements/Views/Qt4/QDebugStream.hpp (added) * src/UIElements/Views/Qt4/QtLogBox.cpp (added) * src/UIElements/Views/Qt4/QtLogBox.hpp (added) Added QtLogBox to QtMainWindow, using QDebugStream to display log. Fri, 27 Jun 2014 21:32:55 GMT Frederik Heber [e1fe7e] * src/Actions/PotentialAction/FitPotentialAction.cpp (modified) * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/FunctionApproximation/FunctionApproximation.cpp (modified) * src/FunctionApproximation/FunctionApproximation.hpp (modified) * src/FunctionApproximation/FunctionModel.hpp (modified) * src/FunctionApproximation/TrainingData.cpp (modified) * src/FunctionApproximation/TrainingData.hpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified) * src/Potentials/CompoundPotential.cpp (modified) * src/Potentials/CompoundPotential.hpp (modified) * src/Potentials/EmpiricalPotential.hpp (modified) * src/Potentials/Specifics/ConstantPotential.cpp (modified) * src/Potentials/Specifics/ConstantPotential.hpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.hpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.hpp (modified) * src/Potentials/Specifics/PairPotential_Morse.cpp (modified) * src/Potentials/Specifics/PairPotential_Morse.hpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.hpp (modified) * src/Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp (modified) * src/Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp (modified) * src/Potentials/helpers.hpp (modified) * src/Potentials/unittests/CompoundPotentialUnitTest.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) FunctionModel now uses list_of_arguments to split sequence of subsets ... Fri, 27 Jun 2014 21:32:03 GMT Frederik Heber [378f2d5] * src/Actions/ActionStatusList.cpp (modified) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.hpp (modified) * src/UIElements/TextUI/TextStatusIndicator.cpp (modified) * src/UIElements/TextUI/TextStatusIndicator.hpp (modified) * src/UIElements/Views/Qt4/QtStatusBar.cpp (modified) * src/UIElements/Views/Qt4/QtStatusBar.hpp (modified) Updated all UI's StatusIndicator classes to use ActionStatusList. - ... Tue, 29 Apr 2014 12:42:43 GMT Frederik Heber [a2a2f7] * src/Actions/ActionSequence.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified) * src/Actions/ShapeAction/RemoveShapeAction.cpp (modified) * src/Actions/ShapeAction/StretchShapeAction.cpp (modified) * src/Analysis/analysis_correlation.cpp (modified) * src/Box.cpp (modified) * src/Filling/Mesh/CubeMesh.cpp (modified) * src/Fragmentation/AdaptivityMap.cpp (modified) * src/Fragmentation/BondsPerShortestPath.cpp (modified) * src/Fragmentation/Exporters/ExportGraph.cpp (modified) * src/Fragmentation/Fragmentation.cpp (modified) * src/Fragmentation/Homology/FragmentEdge.cpp (modified) * src/Fragmentation/Homology/FragmentNode.cpp (modified) * src/Fragmentation/Homology/HomologyContainer.hpp (modified) * src/Fragmentation/Homology/HomologyGraph.cpp (modified) * src/Fragmentation/Homology/unittests/stubs/FragmentStub.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (modified) * src/Fragmentation/Summation/Containers/MPQCData.hpp (modified) * src/Fragmentation/Summation/IndexSetContainer.cpp (modified) * src/Fragmentation/Summation/SetValues/Fragment.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/EigenvaluesUnitTest.cpp (modified) * src/Fragmentation/fragmentation_helpers.cpp (modified) * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/FunctionApproximation.cpp (modified) * src/Jobs/MPQCJob.cpp (modified) * src/Jobs/WindowGrid_converter.cpp (modified) * src/Parameters/Validators/Specific/TimeStepPresentValidator.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) * src/Shapes/BaseShapes.cpp (modified) * src/Tesselation/boundary.cpp (modified) * src/Tesselation/tesselation.cpp (modified) * src/Tesselation/tesselationhelpers.cpp (modified) * src/UIElements/Qt4/Query/QtQueryList.hpp (modified) * src/UIElements/Qt4/Query/VectorQtQuery.cpp (modified) * src/UIElements/Views/Qt4/Plotting/QSeisPlotPage.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) * src/UIElements/Views/Qt4/QtTimeLine.cpp (modified) Huge warning fix. - fixed unused variables. - fixed set but unused ... Tue, 04 Mar 2014 23:24:56 GMT Frederik Heber [6497a3] * src/UIElements/Views/Qt4/Plotting/Makefile.am (modified) DISTFIX: QwtPlotting had extra _ in QWTHEADER declaration. - this ... Thu, 17 Oct 2013 07:24:25 GMT Frederik Heber [174f8b] * src/UIElements/Views/Qt4/QtFragmentList.cpp (modified) * src/UIElements/Views/Qt4/QtFragmentList.hpp (modified) Extending QtFragmentList to show value and contribution of summed ... Mon, 14 Oct 2013 23:41:38 GMT Frederik Heber [b677ab] * src/UIElements/Views/Qt4/Plotting/QSeisPageRegistry.hpp (modified) * src/UIElements/Views/Qt4/Plotting/QSeisPlot.cpp (modified) * src/UIElements/Views/Qt4/Plotting/QSeisPlot.hpp (modified) * src/UIElements/Views/Qt4/QtFragmentList.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.hpp (modified) Added QSeisPlotPage to QtHomologyList. - spawning QSeisPlotCurves ... Mon, 14 Oct 2013 23:41:38 GMT Frederik Heber [f0964c] * src/Potentials/PotentialRegistry.cpp (modified) * src/Potentials/PotentialRegistry.hpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.hpp (modified) QtHomologyList also observes PotentialRegistry. - PotentialRegistry ... Mon, 14 Oct 2013 23:41:35 GMT Frederik Heber [35302b] * m4/qwt.m4 (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Views/Qt4/Plotting/Makefile.am (added) * src/UIElements/Views/Qt4/Plotting/QListWidgetCurveItem.cpp (added) * src/UIElements/Views/Qt4/Plotting/QListWidgetCurveItem.hpp (added) * src/UIElements/Views/Qt4/Plotting/QScrollZoomer/ScrollBar.cpp (added) * src/UIElements/Views/Qt4/Plotting/QScrollZoomer/ScrollBar.hpp (added) * src/UIElements/Views/Qt4/Plotting/QScrollZoomer/ScrollZoomer.cpp (added) * src/UIElements/Views/Qt4/Plotting/QScrollZoomer/ScrollZoomer.hpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisCurveRegistry.cpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisCurveRegistry.hpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisData.cpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisData.hpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPageRegistry.cpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPageRegistry.hpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPlot.cpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPlot.hpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPlotCurve.cpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPlotCurve.hpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPlotPage.cpp (added) * src/UIElements/Views/Qt4/Plotting/QSeisPlotPage.hpp (added) * src/UIElements/Views/Qt4/Plotting/XMLParser/QSeisXMLParser.cpp (added) * src/UIElements/Views/Qt4/Plotting/XMLParser/QSeisXMLParser.hpp (added) * src/UIElements/Views/Qt4/Plotting/XMLParser/QSeisXMLParser_plotcurve.cpp (added) * src/UIElements/Views/Qt4/Plotting/XMLParser/QSeisXMLParser_plotcurve.hpp (added) * src/UIElements/Views/Qt4/Plotting/XMLParser/QSeisXMLParser_plottype.cpp (added) * src/UIElements/Views/Qt4/Plotting/XMLParser/QSeisXMLParser_plottype.hpp (added) * tests/CodeChecks/testsuite-project-disclaimer.at (modified) Added many files from project Seismolo. - we either had the choice ... Sat, 05 Oct 2013 09:32:58 GMT Frederik Heber [a8f5d94] * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.hpp (modified) QtHomologyList is now a split with QTreeWidget and another widget. Sat, 05 Oct 2013 09:32:45 GMT Frederik Heber [d20ded] * src/Fragmentation/Summation/Containers/FragmentationResultContainer.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Qt4/QtMainWindow.hpp (modified) * src/UIElements/Views/Qt4/QtFragmentList.cpp (added) * src/UIElements/Views/Qt4/QtFragmentList.hpp (added) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) FragmentResultContainer is Observable and displayed by ... Sat, 05 Oct 2013 09:31:54 GMT Frederik Heber [592d42] * data/icons/Makefile.am (modified) * data/icons/icon_domain.png (added) * data/icons/icon_dreiBein.png (added) * data/icons/icons.qrc (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) * src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified) Added enable/disable for DreiBein and domain box. Sat, 05 Oct 2013 09:31:54 GMT Frederik Heber [5e4bfd] * src/UIElements/Views/Qt4/QtInfoBox.cpp (modified) QtInfoBox shows name of atom. Sat, 05 Oct 2013 09:31:54 GMT Frederik Heber [25ce49] * src/UIElements/Views/Qt4/QtTimeLine.cpp (modified) * src/UIElements/Views/Qt4/QtTimeLine.hpp (modified) FIX: QtTimeLine was not notified of TimeChanged of WorldTime. - ... Sat, 05 Oct 2013 09:31:33 GMT Frederik Heber [07414d7] * src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) Changed atom ptr into atomicId_t param for atomInserted of GLWorld... ...