Changeset 7c7c4a for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp

Timestamp:

Feb 12, 2016, 11:15:04 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:

2831b3

Parents:

e25448

git-author:

Frederik Heber <heber@…> (10/16/15 11:51:16)

git-committer:

Frederik Heber <heber@…> (02/12/16 23:15:04)

Message:

FIX: All ObservedValue's of GLMoleculeObject_atom/bond/molecule wrapped into vector.

• the idea is that a GLMoleculeObject may only remove itself _after_ each and every contained Observer has gotten the subjectKilled() signal from the Observables. Only then will destroying the Object and its members thereby not cause any signOff() which try to access Observables or their channels which are no longer present. This can be imagined as a graph where we have to start destroying object at the very bottom.
• This is the avoid the following conflict: A superior object gets note of a molecule to be removed. It sends the visual representation a signal to remove itself, which causes it to use signOff(). On a parallel track (in another thread) we have the observed object calling subjectKilled() to inform any Observer about its immediate destruction. These two tracks collide. Now, we let first pass all subjectKilled() and when the last Observable has gotten its signal, we begin destroying the visual rep.
• rerouted signal/slots accordingly.

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) (3 diffs)

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

@@ -15 +15 @@
 
 #include "GLMoleculeObject.hpp"
+
+#include <vector>
+#include <boost/any.hpp>
 
 #include "CodePatterns/ObservedValue.hpp"
@@ -61 +64 @@
   void elementChanged();
   void bondsChanged();
+  void InstanceRemoved(const atomId_t);
 
 private:
@@ -88 +92 @@
   atom * const atomref;
 
-  //!> cached value of the atom's id
-  ObservedValue<atomId_t> AtomIndex;
-  //!> cached value of the atom's position
-  ObservedValue<Vector> AtomPosition;
-  //!> cached value of the atom's element
-  ObservedValue<atomicNumber_t> AtomElement;
-  //!> cached value of the atom's id
-  ObservedValue<ListOfBonds_t> AtomBonds;
+private:
+  /** Observed Values **/
+
+  //!> enumeration of observed values to match with entries in ObservedValues
+  enum ObservedTypes {
+    //!> contains the current atom index
+    AtomIndex,
+    //!> contains the current atom position
+    AtomPosition,
+    //!> contains the current atom element
+    AtomElement,
+    //!> contains the current set of bonds atoms fort the atom
+    AtomBonds,
+    //!> gives the size of the enumeration
+    MAX_ObservedTypes
+  };
+
+  //!> vector with all observed values
+  std::vector<boost::any> ObservedValues;
+
+  /** Initializes all \a ObservedValues entries.
+   *
+   * \param _id atom id
+   */
+  void initObservedValues(const atomId_t _id);
+
+  /** Destroys all \a ObservedValues entries.
+   *
+   */
+  void destroyObservedValues();
+
+  /** Getter to atom index contained in \a ObservedValues.
+   *
+   * \return atom's index
+   */
+  atomId_t getAtomIndex() const;
+
+  /** Getter to atom position contained in \a ObservedValues.
+   *
+   * \return atom's position
+   */
+  Vector getAtomPosition() const;
+
+  /** Getter to atom element contained in \a ObservedValues.
+   *
+   * \return atom's elemnt
+   */
+  atomicNumber_t getAtomElement() const;
+
+  /** Getter to atom bonds contained in \a ObservedValues.
+   *
+   * \return atom's bonds
+   */
+  ListOfBonds_t getAtomBonds() const;
+
+  /** Counts how many ObservedValues got subjectKilled.
+   *
+   * This is used to give InstanceRemoved() signal only when each and every
+   * ObservedValue (and the instance itself) has been subjectKilled by the
+   * monitored Observable. Only then can we safely remove the instance.
+   *
+   */
+  void countsubjectKilled();
+
+  //!> counts how many ObservedValues have already been subjectKilled()
+  mutable size_t subjectKilledCount;
+
+private:
 
   //!> list of channels when index needs to update