Changeset 4a187d for src

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:

0824dd

Parents:

1187c5

git-author:

Frederik Heber <heber@…> (02/16/16 08:32:23)

git-committer:

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

Message:

GLWorldScene also takes note of empty molecule.

• this is for the case when a molecule is signalled empty before it signals ready for removal. This may happen cause the empty and the removal signal come from different sources, empty from GLMoleculeObject_molecule and removal from the board.

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLWorldScene.cpp (modified) (3 diffs)
• GLWorldScene.hpp (modified) (1 diff)

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

@@ -213 +213 @@
   const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
   if (moliter != MoleculesinSceneMap.end()) {
+    const RemovedMoleculesMap_t::iterator emptyiter = EmptyMolecules.find(_mol);
+    if (emptyiter != EmptyMolecules.end())
+      EmptyMolecules.erase(emptyiter);
     // check that it is the right molecule
     QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
@@ -497 +500 @@
 
   MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(molid);
-  if ( iter != MoleculesinSceneMap.end()) {
-    LOG(1, "DEBUG: Removing GLMoleculeObject_molecule to id " << molid << " from scene.");
+  ASSERT ( iter != MoleculesinSceneMap.end(),
+      "GLWorldScene::moleculeRemoved() - to be removed molecule "+toString(molid)
+      +" is already gone.");
+  // check if it's already empty
+  const RemovedMoleculesMap_t::iterator emptyiter = EmptyMolecules.find(_mol);
+  if (emptyiter != EmptyMolecules.end()) {
+    LOG(1, "DEBUG: Removing empty GLMoleculeObject_molecule to id " << molid << " from scene.");
+    // it's already empty, remove it
+    ASSERT( emptyiter->second == iter->second,
+        "GLWorldScene::moleculeRemoved() - empty molecule "
+        +toString(emptyiter->second)+" and removed molecule "
+        +toString(iter->second)+" don't match.");
+    LOG(1, "DEBUG: Deleting already empty GLMoleculeObject_molecule to id " << molid);
+    GLMoleculeObject_molecule *molObject = emptyiter->second;
+    EmptyMolecules.erase(emptyiter);
+    molObject->disconnect();
+    delete molObject;
+
+    emit changed();
+    emit changeOccured();
+  } else {
+    // otherwise note it as removal candidate
     RemovedMolecules.insert( std::make_pair(_mol, iter->second) );
-    MoleculesinSceneMap.erase(iter);
-  }
+  }
+  MoleculesinSceneMap.erase(iter);
 
   // remove any possible state changes left
@@ -517 +540 @@
   boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
 
-  RemovedMoleculesMap_t::iterator iter = RemovedMolecules.find(_mol.get());
-  if ( iter != RemovedMolecules.end()) {
-    LOG(1, "DEBUG: Deleting GLMoleculeObject_molecule to id " << molid);
-    GLMoleculeObject_molecule *molObject = iter->second;
-    RemovedMolecules.erase(iter);
+  MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(molid);
+  if ( iter == MoleculesinSceneMap.end()) {
+    RemovedMoleculesMap_t::iterator removeiter = RemovedMolecules.find(_mol.get());
+    ASSERT ( removeiter != RemovedMolecules.end(),
+        "GLWorldScene::moleculeEmpty() - to be removed molecule "+toString(molid)
+        +" is neither in MoleculesinSceneMap, nor in RemovedMolecules.");
+    // it's noted for removal already, remove it
+    LOG(1, "DEBUG: Deleting empty GLMoleculeObject_molecule to id " << molid);
+    GLMoleculeObject_molecule *molObject = removeiter->second;
+    RemovedMolecules.erase(removeiter);
     molObject->disconnect();
     delete molObject;
+
+    emit changed();
+    emit changeOccured();
   } else {
-    ASSERT(0,
-        "GLWorldScene::moleculeEmpty() - molecule "+toString(molid)+" is empty that is not present.");
-  }
-
-  // remove any possible state changes left
-  {
-    boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
-    MoleculeMissedStateMap.erase(molid);
-  }
-
-  emit changed();
-  emit changeOccured();
+    // otherwise just note it as empty
+    EmptyMolecules.insert( std::make_pair(_mol.get(), iter->second) );
+  }
+
+//  // remove any possible state changes left
+//  {
+//    boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
+//    MoleculeMissedStateMap.erase(molid);
+//  }
 }
 

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

@@ -141 +141 @@
   //!> set of all currently removed molecules
   RemovedMoleculesMap_t RemovedMolecules;
+  //!> set of all currently empty molecules (about to be removed)
+  RemovedMoleculesMap_t EmptyMolecules;
 
   //!> flag to indicate whether state map is currently worked on