Changeset 20f9b5 for src

Timestamp:

Aug 5, 2015, 5:32:08 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:

88846b

Parents:

6c16a0

git-author:

Frederik Heber <heber@…> (07/20/15 08:35:41)

git-committer:

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

Message:

GLWorldScene propagates changed mol id to GLMoleculeObject_molecule.

• GLWorldScene must emit MoleculeRemoved on last subjectKlled().
• GLWorldScene has internal RemovalMolecule in case moleculeRemoved comes prior to moleculeInserted.

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLWorldScene.cpp (modified) (5 diffs)
• GLWorldScene.hpp (modified) (2 diffs)
• GLWorldView.cpp (modified) (1 diff)

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

@@ -223 +223 @@
   ASSERT( iter == MoleculesinSceneMap.end(),
       "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" already present.");
+
+  // check whether molecule is still present
+  if (RemovalMolecules.count(_id) != 0) {
+    RemovalMolecules.erase(_id);
+    return;
+  }
+  if (const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(_id)) == NULL)
+    return;
 
   // add new object
@@ -301 +309 @@
   connect (molObject, SIGNAL(hoverChanged(const atomId_t)), this, SIGNAL(hoverChanged(const atomId_t)));
   connect (molObject, SIGNAL(hoverChanged(const moleculeId_t, int)), this, SIGNAL(hoverChanged(const moleculeId_t, int)));
+  connect (molObject, SIGNAL(indexChanged(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t)), this, SLOT(changeMoleculeId(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t)));
 
   emit changed();
@@ -314 +323 @@
   LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_id)+".");
   MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
-  ASSERT( iter != MoleculesinSceneMap.end(),
-      "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
-
-  GLMoleculeObject_molecule *molObject = iter->second;
-  molObject->disconnect();
-  MoleculesinSceneMap.erase(iter);
-  delete molObject;
+  if ( iter == MoleculesinSceneMap.end())
+    RemovalMolecules.insert(_id);
+  else {
+
+    GLMoleculeObject_molecule *molObject = iter->second;
+    molObject->disconnect();
+    MoleculesinSceneMap.erase(iter);
+    delete molObject;
 
   // remove any possible state changes left
@@ -328 +338 @@
   }
 
-  emit changed();
-  emit changeOccured();
+    emit changed();
+    emit changeOccured();
+  }
 }
 
@@ -415 +426 @@
   setSelectionMode(SelectMolecule);
 }
+
+void GLWorldScene::changeMoleculeId(
+    GLMoleculeObject_molecule *ob,
+    const moleculeId_t oldId,
+    const moleculeId_t newId)
+{
+  LOG(3, "INFO: GLWorldScene - change molecule id " << oldId << " to " << newId << ".");
+
+  {
+    // Remove from map.
+    MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(oldId);
+    ASSERT(iter != MoleculesinSceneMap.end(),
+        "GLWorldScene::changeMoleculeId() - molecule with old id "+toString(oldId)+" not on display.");
+    ASSERT(iter->second == ob,
+        "GLWorldScene::changeMoleculeId() - molecule with id "
+        +toString(oldId)+" does not match with object in MoleculesinSceneMap.");
+    MoleculesinSceneMap.erase(iter);
+
+    // Reinsert with new id.
+    {
+      MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(newId);
+      ASSERT(iter == MoleculesinSceneMap.end(),
+            "GLWorldScene::changeMoleculeId() -  moleculewith new id "+toString(newId)+" already known.");
+    }
+    MoleculesinSceneMap.insert( make_pair(newId, ob) );
+  }
+
+  {
+    // Remove and re-insert from map if present.
+    MoleculeMissedStateMap_t::iterator iter = MoleculeMissedStateMap.find(oldId);
+    if (iter != MoleculeMissedStateMap.end()) {
+      StateChangeMap_t changemap = iter->second;
+      MoleculeMissedStateMap.erase(iter);
+      MoleculeMissedStateMap.insert( std::make_pair(newId, changemap) );
+    }
+  }
+}

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

@@ -93 +93 @@
   void update();
   void moleculesVisibilityChanged(const moleculeId_t _id, bool _visible);
+  void changeMoleculeId(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t);
 
 public:
@@ -98 +99 @@
 
 private:
+
+  typedef std::set<moleculeId_t> RemovalMolecule_t;
+  //!> list of molecule ids whose moleculeRemoved we have received but who have not been inserted yet
+  RemovalMolecule_t RemovalMolecules;
 
   typedef std::map< moleculeId_t , GLMoleculeObject_molecule* > MoleculeNodeMap;

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

@@ -92 +92 @@
   connect(this, SIGNAL(atomRemoved(const moleculeId_t, const atomId_t)), worldscene, SLOT(atomRemoved(const moleculeId_t, const atomId_t)), Qt::DirectConnection);
   connect(this, SIGNAL(atomInserted(const moleculeId_t, const atomId_t)), worldscene, SLOT(atomInserted(const moleculeId_t, const atomId_t)), Qt::DirectConnection);
+  connect(this, SIGNAL(moleculeInserted(const moleculeId_t)), worldscene, SLOT(moleculeInserted(const moleculeId_t)), Qt::DirectConnection);
   connect(this, SIGNAL(moleculeRemoved(const moleculeId_t)), worldscene, SLOT(moleculeRemoved(const moleculeId_t)), Qt::DirectConnection);
-  connect(this, SIGNAL(moleculeInserted(const moleculeId_t)), worldscene, SLOT(moleculeInserted(const moleculeId_t)), Qt::DirectConnection);
   //connect(this, SIGNAL(changed()), this, SLOT(updateGL()));
   connect(this, SIGNAL(changed()), this, SLOT(sceneChangeSignalled()));