Changeset 7c7c4a for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.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_bond.hpp (modified) (3 diffs)

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

@@ -15 +15 @@
 
 #include "GLMoleculeObject.hpp"
+
+#include <vector>
+#include <boost/any.hpp>
 
 #include "CodePatterns/Observer/Observer.hpp"
@@ -70 +73 @@
 
 private:
-  /** This must be called from subjectKilled() only.
-   *
-   * We remove from all other Observables in a controlled manner.
-   *
-   * removeBond(), and removeChannels() must have been called before (or one of
-   * the subjects has been killed).
-   *
-   */
-  void removeMe();
   void removeChannels();
 
@@ -105 +99 @@
   const enum SideOfBond BondSide;
 
-  ObservedValue<Vector> leftPosition;
-  ObservedValue<Vector> rightPosition;
-  ObservedValue<atomicNumber_t> leftElement;
-  ObservedValue<atomicNumber_t> rightElement;
-  ObservedValue<int> Degree;
+
+private:
+  /** Observed Values **/
+
+  //!> enumeration of observed values to match with entries in ObservedValues
+  enum ObservedTypes {
+    //!> contains the position of the left atom
+    leftPosition,
+    //!> contains the position of the right atom
+    rightPosition,
+    //!> contains the element of the left atom
+    leftElement,
+    //!> contains the element of the right atom
+    rightElement,
+    //!> contains the degree of the bond
+    Degree,
+    //!> gives the size of the enumeration
+    MAX_ObservedTypes
+  };
+
+  //!> vector with all observed values
+  std::vector<boost::any> ObservedValues;
+
+  /** Initializes all \a ObservedValues entries.
+   *
+   */
+  void initObservedValues();
+
+  /** Destroys all \a ObservedValues entries.
+   *
+   */
+  void destroyObservedValues();
+
+  /** Getter to left atom's position contained in \a ObservedValues.
+   *
+   * \return left atom's position
+   */
+  Vector getleftPosition() const;
+
+  /** Getter to right atom's position contained in \a ObservedValues.
+   *
+   * \return right atom's position
+   */
+  Vector getrightPosition() const;
+
+  /** Getter to left atom's element contained in \a ObservedValues.
+   *
+   * \return left atom's element
+   */
+  atomicNumber_t getleftElement() const;
+
+  /** Getter to rightatom's element contained in \a ObservedValues.
+   *
+   * \return right atom's element
+   */
+  atomicNumber_t getrightElement() const;
+
+  /** Getter to bond's degree contained in \a ObservedValues.
+   *
+   * \return bond's degree
+   */
+  int getDegree() 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:
 
   //!> indicate whether we are signed in to leftobservable