Changeset 30b134 for src/UIElements

Timestamp:

Apr 25, 2016, 7:06:10 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:

ffa69c

Parents:

67c4ea

git-author:

Frederik Heber <heber@…> (04/22/16 08:50:56)

git-committer:

Frederik Heber <heber@…> (04/25/16 07:06:10)

Message:

FIX: GLWorldScene::removeBond() needs to check whether molecule changed already.

• there are two possibilities for bonds to be removed: Either the molecule is removed (with its atoms) and this one we got so far. Or the bond is simply removed (because auf adjacency recreation) and this we did not check so far.
• If the simply the bond is removed, then we receive removeBond() but no moleculeChanged() signals. Hence, the QtObservedBond is never removed. We need to check in removeBonds() whether the associated molecules are not NULL and then reset the parent entries ourselves.

File:

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

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

@@ -486 +486 @@
   LOG(3, "INFO: GLWorldScene::removedBond() - got bondRemoved signal from board for id " << _bondid);
 
+  // check current state of associated molecules: We won't receive any
+  // moleculeChanged() here anymore, as this QtObservedBond is already
+  // disconnected from its bond object
+  {
+    const ObservedValueIndexLookup_t::const_iterator objiter = ObservedBondIndexLookup.find(_bondid);
+    ASSERT( objiter != ObservedBondIndexLookup.end(),
+        "GLWorldScene::removeBond() - bond's index "+toString(_bondid)
+        +" to be removed not stored yet?");
+    QObject *obj = objiter->second;
+    const ObservedBonds_t::const_iterator observediter = ObservedBonds.find(obj);
+    ASSERT( observediter != ObservedBonds.end(),
+        "GLWorldScene::removeBond() - bond "+toString(_bondid)
+        +" to be removed not stored yet??");
+    const QtObservedBond::ptr &_bond = observediter->second;
+    if (_bond->getLeftMoleculeIndex() != (moleculeId_t)-1) {
+      BondNodeParentMaps[0].left.erase(_bondid);
+      BondNodeParentMaps[0].left.insert( std::make_pair( _bondid, (ObservedValue_Index_t)NULL) );
+      resetParent(getBondInScene(_bondid, GLMoleculeObject_bond::left), NULL);
+    }
+    if (_bond->getRightMoleculeIndex() != (moleculeId_t)-1) {
+      BondNodeParentMaps[1].left.erase(_bondid);
+      BondNodeParentMaps[1].left.insert( std::make_pair( _bondid, (ObservedValue_Index_t)NULL) );
+      resetParent(getBondInScene(_bondid, GLMoleculeObject_bond::right), NULL);
+    }
+  }
+
   ASSERT( ToBeRemovedNodes.find(_bondid) == ToBeRemovedNodes.end(),
       "GLWorldScene::removeBond() - bondRemoved for "+toString(_bondid)+" obtained twice?");