Changeset 534374 for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp

Timestamp:

Aug 5, 2015, 5:32:07 PM (10 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:

009e2e2

Parents:

b3a33d

git-author:

Frederik Heber <heber@…> (06/19/15 17:37:50)

git-committer:

Frederik Heber <heber@…> (08/05/15 17:32:07)

Message:

GLMoleculeObject_atom uses ObservedValue for internally representing atom's state.

• we use internal owner as ref to Observable.

File:

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

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

@@ -16 +16 @@
 #include "GLMoleculeObject.hpp"
 
+#include "CodePatterns/ObservedValue.hpp"
 #include "CodePatterns/Observer/Observer.hpp"
+
+#include "LinearAlgebra/Vector.hpp"
 
 #include "Bond/bond.hpp"
@@ -24 +27 @@
 class GLWorldScene;
 
-class GLMoleculeObject_atom : public GLMoleculeObject, public Observer
+class GLMoleculeObject_atom : public GLMoleculeObject, Observer
 {
   Q_OBJECT
@@ -40 +43 @@
 private slots:
   void wasClicked();
+  void resetIndex();
+  void resetElement();
+  void resetPosition();
+  void resetBonds();
+  void resetSelectionStatus();
 
 signals:
   void clicked(atomId_t);
-  void BondsInserted(const bond::ptr _bond, const GLMoleculeObject_bond::SideOfBond side);
-  void indexChanged(GLMoleculeObject_atom *ob, int oldId, int newId);
+  void BondsAdded(const atomId_t _left, const atomId_t _right, const GLMoleculeObject_bond::SideOfBond side);
+  void BondsRemoved(const atomId_t _left, const atomId_t _right);
+  void indexChanged(GLMoleculeObject_atom *ob, const atomId_t oldId, const atomId_t newId);
+  void idChanged();
+  void positionChanged();
+  void elementChanged();
+  void bondsChanged();
+  void selectionstatusChanged();
 
 private:
@@ -50 +64 @@
   friend class GLMoleculeObject_molecule;
 
-  void resetPosition();
+  //!> typedef for list of bonds, defined by pairs of atom ids
+  typedef std::vector< std::pair<atomId_t, atomId_t> > ListOfBonds_t;
+
+  static const atom * const getAtomConst(const atomId_t _id);
+  static atom * const getAtom(const atomId_t _id);
+
+  atomId_t updateIndex() const;
+  Vector updatePosition() const;
+  atomicNumber_t updateElement() const;
+  ListOfBonds_t updateBonds() const;
+  bool updateSelectionStatus() const;
+
+  void activateObserver();
+  void deactivateObserver();
 
 private:
-  void resetElement();
-  void resetIndex();
-  void resetProperties();
 
-  const atomId_t atomicid;
+  //!> current list of bonds to compare new onw against for changes
+  ListOfBonds_t ListOfBonds;
 
-  bool uptodatePosition;
-  bool uptodateElement;
+  //!> temporary variable used in cstor
+  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;
+  //!> cached value of the atom's selection status
+  ObservedValue<bool> AtomSelectionStatus;
+
+  //!> list of channels when index needs to update
+  static const Observable::channels_t AtomIndexChannels;
+  //!> list of channels when position needs to update
+  static const Observable::channels_t AtomPositionChannels;
+  //!> list of channels when element needs to update
+  static const Observable::channels_t AtomElementChannels;
+  //!> list of channels when bonds needs to update
+  static const Observable::channels_t AtomBondsChannels;
+  //!> list of channels when selection status needs to update
+  static const Observable::channels_t AtomSelectionStatusChannels;
+
+  //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
+  const Observable *owner;
 };