Changeset 6c16a0 for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp

Timestamp:

Aug 5, 2015, 5:32:08 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:

20f9b5

Parents:

3e52834

git-author:

Frederik Heber <heber@…> (06/21/15 12:16:19)

git-committer:

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

Message:

GLMoleculeObject_molecule uses ObservedValue for internally representing atom's state.

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) (6 diffs)

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

@@ -16 +16 @@
 #include "GLMoleculeObject.hpp"
 
+#include <Qt3D/qgeometrydata.h>
+
+#include "CodePatterns/Cacheable.hpp"
 #include "CodePatterns/Observer/Observer.hpp"
+#include "CodePatterns/ObservedValue.hpp"
 
 #include "GLMoleculeObject_bond.hpp"
@@ -34 +38 @@
   virtual ~GLMoleculeObject_molecule();
 
-  void updateBoundingBox();
-
   // Observer functions
   void update(Observable *publisher);
@@ -51 +53 @@
       const enum GLMoleculeObject_bond::SideOfBond side);
 
-  void selected(const bool _isSelected)
-  { isSelected = _isSelected; }
-
 signals:
   void changed();
@@ -59 +58 @@
   void hoverChanged(const atomId_t);
   void hoverChanged(const moleculeId_t, int);
+  void indexChanged(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t);
   void atomClicked(atomId_t no);
   void moleculeClicked(moleculeId_t no);
+  void TesselationHullChanged();
+  void BoundingBoxChanged();
+  void IsSelectedChanged();
+  void AtomInserted(const atomId_t _id);
+  void AtomRemoved(const atomId_t _id);
+  void IdChanged();
 
 private slots:
@@ -69 +75 @@
   void atomInserted(const atomId_t _id);
   void atomRemoved(const atomId_t _id);
-  void bondInserted(const bond::ptr _bond, const GLMoleculeObject_bond::SideOfBond side);
+  void bondInserted(const atomId_t, const atomId_t, const GLMoleculeObject_bond::SideOfBond side);
   void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
   void hoverChangedSignalled(GLMoleculeObject *ob);
-  void changeAtomId(GLMoleculeObject_atom *, int, int);
+  void changeAtomId(GLMoleculeObject_atom *, const atomId_t, const atomId_t);
 
   void setVisible(bool value);
 
   void activateObserver();
+  void deactivateObserver();
+
+  void resetTesselationHull();
+  void resetIsSelected();
+  void resetBoundingBox();
+  void resetAtoms();
+  void resetIndex();
+
+private:
+  static const molecule * const getMolecule(const moleculeId_t _id);
 
 private:
@@ -85 +101 @@
   void addAtomBonds(const atom *_atom);
 
-  void updateTesselationHull();
+  //!> typedef for the internal set of atoms
+  typedef std::set<atomId_t> atoms_t;
 
-  //!> states whether selection box is additionally drawn or not
-  bool isSelected;
-  bool isBoundingBoxUptodate;
+  /** Structure for the required information on the bounding box.
+   *
+   */
+  struct BoundingBoxInfo {
+    //!> position of center
+    Vector position;
+    //!> radius of sphere
+    double radius;
+  };
 
-  //!> whether we are signed on to the associated molecule
-  bool isSignedOn;
+  /** Structure for the required information on the tesselation hull.
+   *
+   */
+  struct TesselationHullInfo {
+  };
 
-  const moleculeId_t moleculeid;
+  QGeometryData updateTesselationHull() const;
+  bool updateIsSelected() const;
+  BoundingBoxInfo updateBoundingBox() const;
+  atoms_t updateAtoms();
+  moleculeId_t updateIndex() const;
 
-  bool TesselationHullUptodate;
+  //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
+  const Observable * owner;
+
+  //!> internal variable for caching molecule ref in cstor
+  const molecule * const molref;
+
+  //!> list of channels when contained atoms needs to update
+  static const Observable::channels_t AtomsChannels;
+  //!> list of channels when tesselation hull needs to update
+  static const Observable::channels_t HullChannels;
+  //!> list of channels when selection status needs to update
+  static const Observable::channels_t SelectionStatusChannels;
+  //!> list of channels when bounding box needs to update
+  static const Observable::channels_t BoundingBoxChannels;
+  //!> list of channels when the index needs to update
+  static const Observable::channels_t IndexChannels;
+
+  boost::function<moleculeId_t ()> MolIndexUpdater;
+  boost::function<QGeometryData ()> TesselationHullUpdater;
+  boost::function<bool ()> IsSelectedUpdater;
+  boost::function<BoundingBoxInfo ()> BoundingBoxUpdater;
+  boost::function<atoms_t ()> PresentAtomsUpdater;
+
+  //!> contains the current molecule index
+  ObservedValue<moleculeId_t> MolIndex;
+  //!> contains current version of the tesselation hull on request
+  Cacheable<QGeometryData> TesselationHull;
+  //!> contains newest version of the selection status
+  ObservedValue<bool> isSelected;
+  //!> contains newest version of the bounding box on request
+  ObservedValue<BoundingBoxInfo> BoundingBox;
+  //!> contains the current live set of atoms for the molecule
+  ObservedValue<atoms_t> PresentAtoms;
+
+  //!> contains the set of atoms displayed
+  atoms_t DisplayedAtoms;
 
   typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;