Changeset 1187c5 for src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp

Timestamp:

Feb 26, 2016, 9:54:40 AM (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:

4a187d

Parents:

640cbd

git-author:

Frederik Heber <heber@…> (02/14/16 18:49:24)

git-committer:

Frederik Heber <heber@…> (02/26/16 09:54:40)

Message:

FIX: QtObservedAtom's AtomMoleculeIndex was not informed of molecule index changes.

• hence, we return the QtObservedMolecule of the molecule to which the atom is associated. And this reference is updated whenever the associated molecule changes.
• getAtomMoleculeIndex() -> getAtomMolecule().
• signal renamed moleculeIndexChanged -> moleculeChanged.

File:

• src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (1 diff)

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

@@ -197 +197 @@
 {
   const atomId_t atomid = _atom->getAtomIndex();
-  const atomId_t atommolid = _atom->getAtomMoleculeIndex();
-  const atomId_t molid = _mol->getMolIndex();
-  ASSERT( molid == atommolid,
-      "GLWorldScene::moleculesAtomInserted() - atom "+toString(atomid)+" claims to belong to mol "
-       +toString(atommolid)+" but signal came from QtObservedMolecule with id "
-       +toString(molid)+".");
+  QtObservedMolecule* const atommol = _atom->getAtomMolecule();
+  // this ASSERT cannot work: The same molecule may get reassigned to a different
+  // molecule, when e.g. the time step changes (which triggers an update-molecules).
+  // The GUI is slow and may lack behind and thus get  to execute the event
+  // moleculeAtomInserted when the change has been already been done.
+//  ASSERT( (atommol == NULL) || (_mol == atommol),
+//      "GLWorldScene::moleculesAtomInserted() - atom "+toString(atomid)
+//      +" claims to belong to QtObservedMolecule "+toString(atommol)
+//      +" but signal came from QtObservedMolecule "+toString(_mol)+".");
   LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(atomid)+".");
+  const moleculeId_t molid = _mol->getMolIndex();
 
   // check of molecule is already present