Changeset 68989c for src

Timestamp:

Aug 5, 2015, 5:32:11 PM (9 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:

ca4b63b

Parents:

25a81d

git-author:

Frederik Heber <heber@…> (07/19/15 13:46:02)

git-committer:

Frederik Heber <heber@…> (08/05/15 17:32:11)

Message:

Avoided use of getId() on molecules and atoms in Qt code where possible.

• it is ok if we are inside O/O functions or functions called from these functions.

Location:

src/UIElements/Views/Qt4

Files:

• MoleculeList/QtMoleculeList.cpp (modified) (6 diffs)
• Qt3D/GLMoleculeObject_molecule.cpp (modified) (1 diff)

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

@@ -278 +278 @@
     MoleculeFormulaMap.insert( std::make_pair( _molid, _molecule_formula) );
   }
-//  LOG(1, "Inserting molecule " << _mol->getId() << ": " << _mol);
+//  LOG(1, "Inserting molecule " << _molid << ": " << _molecule_formula);
   return molItems;
 }
@@ -284 +284 @@
 std::string QtMoleculeList::addMolecule(const molecule * const _mol)
 {
+  const moleculeId_t molid = _mol->getId();
   // find group if already in list
   QStandardItem *groupItem = NULL;
@@ -289 +290 @@
   // create molecule items and obtain the molecule's formula
   std::string molecule_formula;
-  QList<QStandardItem *> molItems = createMoleculeItems(_mol->getId(), molecule_formula);
+  QList<QStandardItem *> molItems = createMoleculeItems(molid, molecule_formula);
 
   // new molecule type -> create new group
@@ -309 +310 @@
   }
   ASSERT( groupItem != NULL,
-      "QtMoleculeList::addMolecule() - item with id "+toString(_mol->getId())
+      "QtMoleculeList::addMolecule() - item with id "+toString(molid)
       +" has no parent?");
   groupItem->appendRow(molItems);
@@ -476 +477 @@
   ChangingChildrensVisibility = false;
 
-  emit moleculesVisibilityChanged(_item->getMolecule()->getId(), visible);
+  emit moleculesVisibilityChanged(_item->getMoleculeId(), visible);
 }
 
@@ -497 +498 @@
 
       // emit signal
-      emit moleculesVisibilityChanged(molItem->getMolecule()->getId(), visible);
+      emit moleculesVisibilityChanged(molItem->getMoleculeId(), visible);
     }
   }

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp

@@ -553 +553 @@
 #ifdef LOG_OBSERVER
     observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(static_cast<Observer *>(this))
-          << " received notification from molecule " << _molecule->getId() << " for channel "
+          << " received notification from molecule " << MolIndex.get() << " for channel "
           << notification->getChannelNo() << ".";
 #endif