Changeset 16bd37 for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp

Timestamp:

Feb 12, 2016, 11:15:05 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:

099f67

Parents:

8688ef

git-author:

Frederik Heber <heber@…> (10/17/15 12:55:30)

git-committer:

Frederik Heber <heber@…> (02/12/16 23:15:05)

Message:

GLMoleculeObject_atom's ObservedValues is now all static.

• this is equivalent to the changes to GLMoleculeObject_molecule.

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) (2 diffs)

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

@@ -76 +76 @@
   static atom * const getAtom(const atomId_t _id);
 
-  atomId_t updateIndex() const;
-  Vector updatePosition() const;
-  atomicNumber_t updateElement() const;
-  ListOfBonds_t updateBonds() const;
+  static atomId_t updateIndex();
+  static Vector updatePosition(
+      const boost::function<const atomId_t ()> &_getAtomIndex);
+  static atomicNumber_t updateElement(
+      const boost::function<const atomId_t ()> &_getAtomIndex);
+  static ListOfBonds_t updateBonds(
+      const boost::function<const atomId_t ()> &_getAtomIndex);
 
   void activateObserver();
@@ -114 +117 @@
   /** Initializes all \a ObservedValues entries.
    *
+   * \param _ObservedValues vector of ObservedValue to be filled
    * \param _id atom id
+   * \param _atomref reference to atom
+   * \param _subjectKilled ref to function to call on subjectKilled()
    */
-  void initObservedValues(const atomId_t _id);
+  static void initObservedValues(
+      std::vector<boost::any> &_ObservedValues,
+      const atomId_t _id,
+      const atom * const _atomref,
+      const boost::function<void()> &_subjectKilled);
 
   /** Destroys all \a ObservedValues entries.
    *
+   * \param _ObservedValues vector of ObservedValue to be destroyed
    */
-  void destroyObservedValues();
+  static void destroyObservedValues(
+      std::vector<boost::any> &_ObservedValues);
 
   /** Getter to atom index contained in \a ObservedValues.