Changeset 53c1ff for src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp

Timestamp:

Jan 28, 2015, 7:07:03 PM (10 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

d2dbb5d

Parents:

6d1e0a

git-author:

Frederik Heber <heber@…> (01/18/15 14:04:26)

git-committer:

Frederik Heber <heber@…> (01/28/15 19:07:03)

Message:

Modified QtMoleculeList to use QtMoleculeItemFactory.

• setOccurrence() gives index of row back if it should be romoved.
• i.e. moving a row and removing the row entirely does not mix. Updating it and then removing it is ill-spent time.
• split off removing a group item from setting its occurrence.
• emitDirtyState() only uses the first column item despite for the dirty items set. Otherwise we have multiple moves of the same row.
• this is safer than removing the entry in MoleculeBiMap right away as thread in GUI and Action thread do not access in an orderly fashion.
• using vector of molecule pointers and set operations to fulfil validity of updates.

File:

• src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp (modified) (2 diffs)

src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.cpp ¶

@@ -85 +85 @@
 QList<QStandardItem *>
 QtMoleculeItemFactory::createMoleculeItems(
-    const molecule *_mol,
+    const molecule * const _mol,
     const QtMoleculeItem::emitDirtyState_t &_emitDirtyState)
 {
@@ -102 +102 @@
   QList<QStandardItem *> groupItems;
   // fill item list
-  QStandardItem *mainitem = new QStandardItem(QString(""));
+  QStandardItem *mainitem = new QStandardItem(QString(_formula.c_str()));
   mainitem->setFlags(mainitem->flags() ^ Qt::ItemIsSelectable);
   groupItems << mainitem;