Changeset 8923ad8 for src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp

Timestamp:

Jul 24, 2015, 4:44:35 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:

9c259e

Parents:

28864c

git-author:

Frederik Heber <heber@…> (06/08/15 17:05:01)

git-committer:

Frederik Heber <heber@…> (07/24/15 16:44:35)

Message:

Removed GLMoleculeObject_molecule's init() and reinit().

• also removed InitAtomMap and associated code.
• removed changeAtomId slot/signal in GLWorldScene.

File:

• src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (3 diffs)

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

@@ -107 +107 @@
 void GLWorldScene::init()
 {
-  const std::vector<const molecule *> &molecules =
-      const_cast<const World &>(World::getInstance()).getAllMolecules();
-
-  for (std::vector<const molecule*>::const_iterator moliter = molecules.begin();
-      moliter != molecules.end();
-      moliter++) {
-    // create molecule objects in scene
-    moleculeInserted((*moliter)->getId());
-  }
+//  const std::vector<const molecule *> &molecules =
+//      const_cast<const World &>(World::getInstance()).getAllMolecules();
+//
+//  for (std::vector<const molecule*>::const_iterator moliter = molecules.begin();
+//      moliter != molecules.end();
+//      moliter++) {
+//    // create molecule objects in scene
+//    moleculeInserted((*moliter)->getId());
+//  }
 }
 
@@ -138 +138 @@
       moleculeInserted((*moliter)->getId());
   }
+
+  MoleculeNodeMap::iterator iter = MoleculesinSceneMap.begin();
+  for (;iter != MoleculesinSceneMap.end();) {
+    const moleculeId_t molid = iter->first;
+    const molecule * const mol = const_cast<const World &>(World::getInstance()).
+        getMolecule(MoleculeById(molid));
+    const bool mol_absent = (mol == NULL);
+    // step on to next molecule before possibly removing entry and invalidating iter
+    ++iter;
+    if (mol_absent)
+      moleculeRemoved(molid);
+  }
+
 }
 
@@ -226 +239 @@
   connect (molObject, SIGNAL(atomClicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
   connect (molObject, SIGNAL(moleculeClicked(moleculeId_t)), this, SLOT(moleculeClicked(moleculeId_t)));
-  connect (molObject, SIGNAL(changeAtomId(GLMoleculeObject_atom *, int, int)), this, SLOT(changeAtomId(GLMoleculeObject_atom *, int, int)));
   connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
   connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));