Changeset 96e145 for src/UIElements

Timestamp:

Feb 26, 2016, 9:46:18 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:

92af1b

Parents:

bcf9cd

git-author:

Frederik Heber <heber@…> (01/27/16 21:29:01)

git-committer:

Frederik Heber <heber@…> (02/26/16 09:46:18)

Message:

AtomInserted/Removed of QtObservedMolecule sends ptr as unique key.

• this is used to associate the atom with the right molecule. This is needed in case when the molecule is deleted and a new one with the same id is created. If signals are delayed, we need to know which atomInserted/Removed signal to associated with which GLMoleculeObject_molecule.

Location:

src/UIElements

Files:

• Qt4/InstanceBoard/QtObservedMolecule.cpp (modified) (2 diffs)
• Qt4/InstanceBoard/QtObservedMolecule.hpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (5 diffs)
• Views/Qt4/Qt3D/GLWorldScene.hpp (modified) (1 diff)

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.cpp

@@ -227 +227 @@
         QtObservedAtom::ptr _atom = board.getObservedAtom(_id);
         emit atomcountChanged();
-        emit atomInserted(_atom);
+        emit atomInserted(_atom, this);
         emit bondcountChanged();
         emit boundingboxChanged();
@@ -245 +245 @@
         const atomId_t _id = _molecule->lastChangedAtomId();
         emit atomcountChanged();
-        emit atomRemoved(_id);
+        emit atomRemoved(_id, this);
         emit bondcountChanged();
         emit boundingboxChanged();

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp

@@ -149 +149 @@
   void tesselationhullChanged();
   void boundingboxChanged();
-  void atomInserted(QtObservedAtom::ptr);
-  void atomRemoved(const atomId_t);
+  void atomInserted(QtObservedAtom::ptr, QtObservedMolecule *);
+  void atomRemoved(const atomId_t, QtObservedMolecule *);
   void moleculeRemoved();
   void selectedChanged();

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

@@ -194 +194 @@
  * @param _atom atom to insert
  */
-void GLWorldScene::moleculesAtomInserted(QtObservedAtom::ptr _atom)
+void GLWorldScene::moleculesAtomInserted(QtObservedAtom::ptr _atom, QtObservedMolecule * _mol)
 {
   const atomId_t atomid = _atom->getAtomIndex();
@@ -202 +202 @@
   // check of molecule is already present
   boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
-  MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
+  const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
   if (moliter != MoleculesinSceneMap.end()) {
-    LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomInserted for atom "+toString(atomid)+".");
-    QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
-                              "atomInserted",       // member name (no parameters here)
-                              Qt::QueuedConnection,     // connection type
-                              Q_ARG(QtObservedAtom::ptr, _atom));     // parameters
+    // check that it is the right molecule
+    QtObservedMolecule::ptr &checkmol = moliter->second->ObservedMolecule;
+    if (checkmol.get() == _mol) {
+      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomInserted for atom "+toString(atomid)+".");
+      QMetaObject::invokeMethod(moliter->second,        // pointer to a QObject
+                                "atomInserted",       // member name (no parameters here)
+                                Qt::QueuedConnection,     // connection type
+                                Q_ARG(QtObservedAtom::ptr, _atom));     // parameters
+    } else {
+      // relay atomRemoved to GLMoleculeObject_molecule in RemovedMolecules
+//      LOG(3, "INFO: GLWorldScene: Sending signal moleculesAtomInserted for atom "+toString(_atomid)
+//          +" to molecule in RemovedMolecules.");
+//      const MoleculeNodeMap::iterator removedmoliter = RemovedMolecules.find(molid);
+//      ASSERT( removedmoliter != RemovedMolecules.end(),
+//          "GLWorldScene::moleculesAtomInserted() - signal from old mol "
+//          +toString(molid)+", but not present in RemovedMolecules");
+//      QMetaObject::invokeMethod(removedmoliter->second,        // pointer to a QObject
+//                                "atomInserted ",       // member name (no parameters here)
+//                                Qt::QueuedConnection,     // connection type
+//                                Q_ARG(QtObservedAtom::ptr, _atom));     // parameters
+      ASSERT( 0,
+          "GLWorldScene::moleculesAtomInserted() - would need to send atomInserted to already removed molecule.");
+    }
   } else {
     boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
@@ -231 +249 @@
  * @param _atomid atom to remove
  */
-void GLWorldScene::moleculesAtomRemoved(const atomId_t _atomid)
+void GLWorldScene::moleculesAtomRemoved(const atomId_t _atomid, QtObservedMolecule * _mol)
 {
   LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atomid)+".");
@@ -241 +259 @@
     // check of molecule is already present
     boost::recursive_mutex::scoped_lock lock(MoleculeinSceneMap_mutex);
-    MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
+    const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
     if (moliter != MoleculesinSceneMap.end()) {
-      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
+      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
+      }
     } else {
       boost::recursive_mutex::scoped_lock lock(MoleculeMissedStateMap_mutex);
@@ -267 +300 @@
   // sign on to QtObservedMolecule to get atomInserted/..Removed signals from same
   // source as GLMoleculeObject_molecule would
-  connect(_mol.get(), SIGNAL(atomInserted(QtObservedAtom::ptr)),
-      this, SLOT(moleculesAtomInserted(QtObservedAtom::ptr)) );
-  connect(_mol.get(), SIGNAL(atomRemoved(const atomId_t)),
-      this, SLOT(moleculesAtomRemoved(const atomId_t)) );
+  connect(_mol.get(), SIGNAL(atomInserted(QtObservedAtom::ptr, QtObservedMolecule *)),
+      this, SLOT(moleculesAtomInserted(QtObservedAtom::ptr, QtObservedMolecule *)) );
+  connect(_mol.get(), SIGNAL(atomRemoved(const atomId_t, QtObservedMolecule *)),
+      this, SLOT(moleculesAtomRemoved(const atomId_t, QtObservedMolecule *)) );
   const moleculeId_t molid = _mol->getMolIndex();
   ASSERT( QtObservedMoleculeMap.find(molid) == QtObservedMoleculeMap.end(),

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

@@ -96 +96 @@
   void moleculeSignOn(QtObservedMolecule::ptr);
   void moleculeIndexChanged(const moleculeId_t _oldid, const moleculeId_t _newid);
-  void moleculesAtomRemoved(const atomId_t _atomid);
-  void moleculesAtomInserted(QtObservedAtom::ptr);
+  void moleculesAtomRemoved(const atomId_t _atomid, QtObservedMolecule * _mol);
+  void moleculesAtomInserted(QtObservedAtom::ptr, QtObservedMolecule *_mol);
   void atomRemoved(const atomId_t _atomid);
   void atomInserted(QtObservedAtom::ptr);