Changeset fcdf05 for src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp

Timestamp:

Aug 5, 2015, 5:32:09 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:

52c5d4

Parents:

95f49f

git-author:

Frederik Heber <heber@…> (07/14/15 13:55:47)

git-committer:

Frederik Heber <heber@…> (08/05/15 17:32:09)

Message:

Fixing QtMoleculeList with list containing only formulas and ids.

• COLUMNTYPE now belongs to QtMoleculeItem not QtMoleculeItemFactory.
• callback function in QtMoleculeItem signature changed to molid and column.
• QtMoleculeItem::getType() for obtaining the type to be used as argument in the callback.

File:

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

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

@@ -36 +36 @@
 
 #include "UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp"
-#include "UIElements/Views/Qt4/MoleculeList/QtMoleculeItemFactory.hpp"
+#include "UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp"
 
 #include "CodePatterns/MemDebug.hpp"
@@ -80 +80 @@
   ASSERT (parent_index.isValid(),
       "QtMoleculeListView::setIndexToLastColumn() - _index has no valid parent.");
-    return_index = parent_index.child(_index.row(), QtMoleculeItemFactory::OCCURRENCE);
+    return_index = parent_index.child(_index.row(), QtMoleculeItem::OCCURRENCE);
 //    return_index =
 //        model()->invisibleRootItem()->child(
 //            _index.row(),
-//            QtMoleculeItemFactory::OCCURRENCE)->index();
+//            QtMoleculeItem::OCCURRENCE)->index();
   return return_index;
 }
@@ -165 +165 @@
         for (std::vector<const molecule *>::const_iterator iter = selectedMolecules.begin();
             iter != selectedMolecules.end(); ++iter) {
-          QtMoleculeItem *item = moleculelist->MoleculeIdToItem((*iter)->getId());
-          if (item != NULL) {
+          if (moleculelist->isMoleculeItemPresent((*iter)->getId())) {
+            QtMoleculeItem *item = moleculelist->MoleculeIdToItem((*iter)->getId());
             QModelIndex mol_index = item->index();
             if (!currently_selected.contains(mol_index))