Changeset 026bef for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp

Timestamp:

Feb 12, 2016, 11:15:06 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:

15c8a9

Parents:

099f67

git-author:

Frederik Heber <heber@…> (01/25/16 11:01:10)

git-committer:

Frederik Heber <heber@…> (02/12/16 23:15:06)

Message:

Changed GLMoleculeObject_...:countSubjectKilled() to taking id parameter.

• this is a precursor for when the ObservedValues reside with QtInstanceInformationBoard.
• enhanced ObservedValue_wCallback to take a bound getIndex function().
• additionally, we route internally to ObservedValue::get() and this gets us out of the painful situation where we need to supply an index getter to the ObservedValue that monitors the index (and hence must be present already to bind to its get function).

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) (4 diffs)

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

@@ -34 +34 @@
   Q_OBJECT
 public:
-  GLMoleculeObject_atom(QGLSceneNode *mesh[], QObject *parent, const atomId_t id);
+  GLMoleculeObject_atom(
+      QGLSceneNode *mesh[],
+      QObject *parent,
+      const atomId_t id
+      );
+  GLMoleculeObject_atom(
+      QGLSceneNode *mesh[],
+      QObject *parent,
+      const atomId_t id,
+      std::vector<boost::any> _ObservedValues
+      );
   virtual ~GLMoleculeObject_atom();
 
@@ -86 +96 @@
   void activateObserver();
   void deactivateObserver();
+
+  void init(const atomId_t _id);
 
 private:
@@ -126 +138 @@
       const atomId_t _id,
       const atom * const _atomref,
-      const boost::function<void()> &_subjectKilled);
+      const boost::function<void(const atomId_t)> &_subjectKilled);
 
   /** Destroys all \a ObservedValues entries.
@@ -165 +177 @@
    * monitored Observable. Only then can we safely remove the instance.
    *
-   */
-  void countsubjectKilled();
+   * \param _atomid id of atom who signalled subjectKilled()
+   */
+  void countsubjectKilled(const atomId_t _atomid);
 
   //!> counts how many ObservedValues have already been subjectKilled()