Changeset 805fdc for src/UIElements

Timestamp:

Feb 26, 2016, 9:46:19 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:

e29427

Parents:

5c9604

git-author:

Frederik Heber <heber@…> (02/13/16 15:30:05)

git-committer:

Frederik Heber <heber@…> (02/26/16 09:46:19)

Message:

FIX: GLWorldScene's moleculesAtomRemoved was checking QtObservedAtomMap.

• however, the atom may already be a different one. Also, we do not even need it as we obtain the molecule from QtObservedMolecule directly.
• also, molecule may no longer be present in MoleculesInSceneMap but still in RemovedMolecules and no molecule with same id already instantiated ...

File:

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

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

@@ -253 +253 @@
   LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atomid)+".");
 
-  // if atom is not in map, then GLMoleculeObject_molecule is already present anyway.
-  if (QtObservedAtomMap.count(_atomid)) {
-    const QtObservedAtom::ptr atom = QtObservedAtomMap[_atomid];
-    const moleculeId_t molid = atom->getAtomMoleculeIndex();
-    // check of molecule is already present
-    boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
-    const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
-    if (moliter != MoleculesinSceneMap.end()) {
-      QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
-      if (checkmol.get() == _mol) {
-        LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomRemoved for atom "+toString(_atomid)+".");
-        QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
-                                  "atomRemoved",       // member name (no parameters here)
-                                  Qt::QueuedConnection,     // connection type
-                                  Q_ARG(const atomId_t, _atomid));     // parameters
-      } else {
-        // relay atomRemoved to GLMoleculeObject_molecule in RemovedMolecules
-        LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomRemoved for atom "+toString(_atomid)
-            +" to molecule in RemovedMolecules.");
-        const MoleculeNodeMap::iterator removedmoliter = RemovedMolecules.find(molid);
-        ASSERT( removedmoliter != RemovedMolecules.end(),
-            "GLWorldScene::moleculesAtomRemoved() - signal from old mol "
-            +toString(molid)+", but not present in RemovedMolecules");
-        QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
-                                  "atomRemoved",       // member name (no parameters here)
-                                  Qt::QueuedConnection,     // connection type
-                                  Q_ARG(const atomId_t, _atomid));     // parameters
-      }
+  const moleculeId_t molid = _mol->getMolIndex();
+  // check of molecule is already present
+  boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
+  const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
+  if (moliter != MoleculesinSceneMap.end()) {
+    const QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
+    if (checkmol.get() == _mol) {
+      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomRemoved for atom "+toString(_atomid)+".");
+      QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
+                                "atomRemoved",       // member name (no parameters here)
+                                Qt::QueuedConnection,     // connection type
+                                Q_ARG(const atomId_t, _atomid));     // parameters
+    } else {
+      // relay atomRemoved to GLMoleculeObject_molecule in RemovedMolecules
+      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomRemoved for atom "+toString(_atomid)
+          +" to molecule in RemovedMolecules.");
+      const MoleculeNodeMap::iterator removedmoliter = RemovedMolecules.find(molid);
+      ASSERT( removedmoliter != RemovedMolecules.end(),
+          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
+          +toString(molid)+", but not present in RemovedMolecules");
+#ifndef NDEBUG
+      const QtObservedMolecule::ptr &othercheckmol = removedmoliter->second->ObservedMolecule;
+#endif
+      ASSERT( othercheckmol.get() == _mol,
+          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
+          +toString(molid)+", but different one "+toString(othercheckmol)
+          +" present in RemovedMolecules.");
+      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
+                                "atomRemoved",       // member name (no parameters here)
+                                Qt::QueuedConnection,     // connection type
+                                Q_ARG(const atomId_t, _atomid));     // parameters
+    }
+  } else {
+    const MoleculeNodeMap::iterator removedmoliter = RemovedMolecules.find(molid);
+    if (removedmoliter != RemovedMolecules.end()) {
+      ASSERT( removedmoliter != RemovedMolecules.end(),
+          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
+          +toString(molid)+", but not present in RemovedMolecules");
+#ifndef NDEBUG
+      const QtObservedMolecule::ptr &othercheckmol = removedmoliter->second->ObservedMolecule;
+#endif
+      ASSERT( othercheckmol.get() == _mol,
+          "GLWorldScene::moleculesAtomRemoved() - signal from old molecule "
+          +toString(molid)+", but different one "+toString(othercheckmol)
+          +" present in RemovedMolecules.");
+      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
+                                "atomRemoved",       // member name (no parameters here)
+                                Qt::QueuedConnection,     // connection type
+                                Q_ARG(const atomId_t, _atomid));     // parameters
     } else {
       boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);