Changeset 69b434 for src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp

Timestamp:

Jun 23, 2015, 6:29:02 AM (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:

6b474e

Parents:

704d59

git-author:

Frederik Heber <heber@…> (05/22/15 21:14:50)

git-committer:

Frederik Heber <heber@…> (06/23/15 06:29:02)

Message:

QtMoleculeItem now uses moleculeId_t instead molecule*.

File:

• src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified) (3 diffs)

src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp

@@ -105 +105 @@
     foreach (index, items)
       if ((index.column() == 0) && (selectionModel()->isSelected(index))) {
-        const molecule *mol = moleculelist->IndexToMolecule(index);
-        if (mol == NULL) // means we are looking at deselection because of removal
-          continue;
-        int mol_id = mol->getId();
+        const moleculeId_t mol_id = moleculelist->IndexToMoleculeId(index);
+        const molecule * const mol = World::getInstance().getMolecule(MoleculeById(mol_id));
         // check for invalid molecule
         if (mol_id < 0)
           continue;
         // means we are looking at deselection because of removal (in World)
-        if (World::getInstance().getMolecule(MoleculeById(mol_id)) != mol)
+        if (mol == NULL)
           continue;
         if (!World::getInstance().isSelected(mol))
@@ -129 +127 @@
     ids.reserve(items.size());
     foreach (index, items)
-    if ((index.column() == 0) && (!selectionModel()->isSelected(index))) {
-        const molecule *mol = moleculelist->IndexToMolecule(index);
-        if (mol == NULL) // means we are looking at deselection because of removal
-          continue;
-        int mol_id = mol->getId();
+      if ((index.column() == 0) && (!selectionModel()->isSelected(index))) {
+        const moleculeId_t mol_id = moleculelist->IndexToMoleculeId(index);
+        const molecule * const mol = World::getInstance().getMolecule(MoleculeById(mol_id));
         // check for invalid molecule
         if (mol_id < 0)
           continue;
         // means we are looking at deselection because of removal (in World)
-        if (World::getInstance().getMolecule(MoleculeById(mol_id)) != mol)
+        if (mol == NULL)
           continue;
         if (World::getInstance().isSelected(mol))
@@ -167 +163 @@
         for (std::vector<molecule *>::const_iterator iter = selectedMolecules.begin();
             iter != selectedMolecules.end(); ++iter) {
-          QtMoleculeItem *item = moleculelist->MoleculeToItem(*iter);
+          QtMoleculeItem *item = moleculelist->MoleculeIdToItem((*iter)->getId());
           if (item != NULL) {
             QModelIndex mol_index = item->index();