Changeset 099f67 for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.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:

026bef

Parents:

16bd37

git-author:

Frederik Heber <heber@…> (10/17/15 13:28:19)

git-committer:

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

Message:

GLMoleculeObject_bond's ObservedValues is now all static.

• again, the same change as with .._molecule and .._atom.

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp (modified) (5 diffs)

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

@@ -75 +75 @@
   void removeChannels();
 
-  Vector updateLeftPosition() const;
-  Vector updateRightPosition() const;
-  atomicNumber_t updateLeftElement() const;
-  atomicNumber_t updateRightElement() const;
-  int updateDegree() const;
+  static atomId_t updateIndex();
+  static Vector updateLeftPosition(
+      const boost::function<const atomId_t ()> &_getLeftAtomIndex);
+  static Vector updateRightPosition(
+      const boost::function<const atomId_t ()> &_getRightAtomIndex);
+  static atomicNumber_t updateLeftElement(
+      const boost::function<const atomId_t ()> &_getLeftAtomIndex);
+  static atomicNumber_t updateRightElement(
+      const boost::function<const atomId_t ()> &_getRightAtomIndex);
+  static int updateDegree(
+      const boost::function<const atomId_t ()> &_getLeftAtomIndex,
+      const boost::function<const atomId_t ()> &_getRightAtomIndex);
 
   static const atom * const getAtomConst(const atomId_t _id);
@@ -85 +92 @@
 
 private:
-  //!> id of left bond partner for safely emitting BondRemoved signal
-  const atomId_t leftatomId;
-  //!> id of right bond partner for safely emitting BondRemoved signal
-  const atomId_t rightatomId;
-
   //!> contains ref to Observable of left atom
   const Observable * const leftowner;
@@ -105 +107 @@
   //!> enumeration of observed values to match with entries in ObservedValues
   enum ObservedTypes {
+    //!> contains the id of the left atom
+    leftIndex,
+    //!> contains the id of the right atom
+    rightIndex,
     //!> contains the position of the left atom
     leftPosition,
@@ -124 +130 @@
   /** Initializes all \a ObservedValues entries.
    *
-   */
-  void initObservedValues();
+   * \param _ObservedValues vector of ObservedValue to be filled
+   * \param _leftatomId left atom id
+   * \param _rightatomId right atom id
+   * \param _leftowner reference to left atom
+   * \param _rightowner reference to right atom
+   * \param _bondowner reference to bond
+   * \param _subjectKilled ref to function to call on subjectKilled()
+   */
+  static void initObservedValues(
+      std::vector<boost::any> &_ObservedValues,
+      const atomId_t _leftatomId,
+      const atomId_t _rightatomId,
+      const Observable * const _leftowner,
+      const Observable * const _rightowner,
+      const Observable * const _bondowner,
+      const boost::function<void()> &_subjectKilled);
 
   /** Destroys all \a ObservedValues entries.
    *
-   */
-  void destroyObservedValues();
+   * \param _ObservedValues vector of ObservedValue to be destroyed
+   */
+  static void destroyObservedValues(
+      std::vector<boost::any> &_ObservedValues);
+
+  /** Getter to left atom's id contained in \a ObservedValues.
+   *
+   * \return left atom's id
+   */
+  atomId_t getleftIndex() const;
+
+  /** Getter to right atom's id contained in \a ObservedValues.
+   *
+   * \return right atom's id
+   */
+  atomId_t getrightIndex() const;
 
   /** Getter to left atom's position contained in \a ObservedValues.
@@ -183 +217 @@
   bool bond_enabled;
 
+  //!> list of channels when id needs to update
+  static const Observable::channels_t IndexChannels;
   //!> list of channels when position needs to update
   static const Observable::channels_t BondPositionChannels;