Changeset 494478

Timestamp:

Feb 12, 2016, 11:15:24 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:

90821d

Parents:

65c323

git-author:

Frederik Heber <heber@…> (10/29/15 12:52:29)

git-committer:

Frederik Heber <heber@…> (02/12/16 23:15:24)

Message:

Extracted all ObservedValue functionality out of GLMoleculeObject_molecule.

• see previous commit for explanations.

Location:

src/UIElements

Files:

• Makefile.am (modified) (1 diff)
• Qt4/InstanceBoard/ObservedValue_UpdateAtoms.hpp (moved) (moved from src/UIElements/Views/Qt4/Qt3D/ObservedValue_UpdateAtoms.hpp )
• Qt4/InstanceBoard/ObservedValue_wCallback.hpp (moved) (moved from src/UIElements/Views/Qt4/Qt3D/ObservedValue_wCallback.hpp )
• Qt4/InstanceBoard/ObservedValuesContainer_impl.hpp (modified) (1 diff)
• Qt4/InstanceBoard/QtObservedAtom.cpp (modified) (1 diff)
• Qt4/InstanceBoard/QtObservedInstanceBoard.cpp (modified) (3 diffs)
• Qt4/InstanceBoard/QtObservedInstanceBoard.hpp (modified) (1 diff)
• Qt4/InstanceBoard/QtObservedMolecule.cpp (modified) (1 diff)
• Qt4/InstanceBoard/QtObservedMolecule.hpp (modified) (4 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) (2 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) (22 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp (modified) (8 diffs)
• Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (3 diffs)

src/UIElements/Makefile.am

@@ -147 +147 @@
   UIElements/Qt4/InstanceBoard/ObservedValuesContainer.hpp \
   UIElements/Qt4/InstanceBoard/ObservedValuesContainer_impl.hpp \
-  UIElements/Views/Qt4/Qt3D/ObservedValue_UpdateAtoms.hpp \
-  UIElements/Views/Qt4/Qt3D/ObservedValue_wCallback.hpp
+  UIElements/Qt4/InstanceBoard/ObservedValue_UpdateAtoms.hpp \
+  UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp
 
 QTUISOURCE = \

src/UIElements/Qt4/InstanceBoard/ObservedValuesContainer_impl.hpp

@@ -38 +38 @@
   ++(iter->second.second);
   typename T::ptr _molecule(new T(obsvalues, board));
-
-  return _molecule;
-}
-
-template <>
-typename QtObservedMolecule::ptr
-ObservedValuesContainer<QtObservedMolecule,moleculeId_t>::get(const moleculeId_t _id)
-{
-  typename CountedObservedValues_t::iterator iter = ObservedValues.find(_id);
-  ASSERT( iter != ObservedValues.end(),
-      "ObservedValuesContainer::getObservedValues() - no observed values present for "
-      +NameOfType+" "+toString(_id));
-  const ObservedValues_t &obsvalues = iter->second.first;
-  // increase refcount
-  ++(iter->second.second);
-  typename QtObservedMolecule::ptr _molecule(new QtObservedMolecule(obsvalues));
 
   return _molecule;

src/UIElements/Qt4/InstanceBoard/QtObservedAtom.cpp

@@ -48 +48 @@
 #include "World.hpp"
 
-#include "UIElements/Views/Qt4/Qt3D/ObservedValue_wCallback.hpp"
+#include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp"
 
 using namespace boost::assign;

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp

@@ -36 +36 @@
 #include "QtObservedInstanceBoard.hpp"
 
-#include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp"
 #include "UIElements/Qt4/InstanceBoard/QtObservedAtom.hpp"
+#include "UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp"
 
 #include "CodePatterns/MemDebug.hpp"
@@ -134 +134 @@
             getMolecule(MoleculeById(_id));
         if (_molecule != NULL) {
-          ObservedValues_t ObservedValues(GLMoleculeObject_molecule::MAX_ObservedTypes);
+          ObservedValues_t ObservedValues(QtObservedMolecule::MAX_ObservedTypes);
           LOG(3, "DEBUG: InformationBoard initializes ObservedValues for molecule " << _id);
-          GLMoleculeObject_molecule::initObservedValues(
+          QtObservedMolecule::initObservedValues(
               ObservedValues,
               _id,
@@ -327 +327 @@
   ++(iter->second);
 
-  if (iter->second > GLMoleculeObject_molecule::MAX_ObservedTypes) {
+  if (iter->second > QtObservedMolecule::MAX_ObservedTypes) {
     ASSERT( moleculeObservedValues.getRefCount(_molid) == 0,
         "QtObservedInstanceBoard::moleculecountsubjectKilled() - observed Values for molecule "

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp

@@ -101 +101 @@
   friend class GLWorldScene;
   friend class GLMoleculeObject_bond;
-  friend class GLMoleculeObject_molecule;
   friend class QtObservedAtom;
+  friend class QtObservedMolecule;
 
   //!> indicating whether we are still signedOn to World or not

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.cpp

@@ -36 +36 @@
 #include "QtObservedMolecule.hpp"
 
+#include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
+
 #include "CodePatterns/MemDebug.hpp"
+#include "CodePatterns/Assert.hpp"
+#include "CodePatterns/Log.hpp"
+
+#include <boost/assign.hpp>
+#include <boost/bind.hpp>
+
+#include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp"
+#include "UIElements/Qt4/InstanceBoard/ObservedValue_UpdateAtoms.hpp"
+
+#include "Atom/atom.hpp"
+#include "Descriptors/MoleculeIdDescriptor.hpp"
+#include "World.hpp"
+
+using namespace boost::assign;
+
+static const Observable::channels_t getAllObservedChannels()
+{
+  Observable::channels_t channels;
+  channels +=
+      molecule::AtomInserted,
+      molecule::AtomRemoved,
+      molecule::IndexChanged,
+      molecule::MoleculeNameChanged,
+      molecule::BoundingBoxChanged;
+  return channels;
+}
+
+// static instances
+const Observable::channels_t QtObservedMolecule::BoundingBoxChannels(1, molecule::BoundingBoxChanged);
+const Observable::channels_t QtObservedMolecule::IndexChannels(1, molecule::IndexChanged);
+const Observable::channels_t QtObservedMolecule::NameChannels(1, molecule::MoleculeNameChanged);
 
 QtObservedMolecule::QtObservedMolecule(
-    const ObservedValues_t &_obsvalues,
+    const ObservedValues_t &_ObservedValues,
+    QtObservedInstanceBoard &_board,
     QWidget * _parent) :
   QWidget(_parent),
   Observer("QtObservedMolecule"),
-  obsvalues(_obsvalues)
-{}
+  subjectKilledCount(0),
+  AllsignedOnChannels(getAllObservedChannels().size()),
+  signedOffChannels(0),
+  owner(NULL),
+  board(_board),
+  ObservedValues(_ObservedValues)
+{
+  activateObserver();
+}
 
 QtObservedMolecule::~QtObservedMolecule()
-{}
+{
+  deactivateObserver();
+}
+
+void QtObservedMolecule::deactivateObserver()
+{
+  if (owner != NULL) {
+    Observable::channels_t channels = getAllObservedChannels();
+    for (Observable::channels_t::const_iterator iter = channels.begin();
+        iter != channels.end(); ++iter)
+      owner->signOff(this, *iter);
+    owner = NULL;
+    signedOffChannels = AllsignedOnChannels;
+  }
+}
+
+void QtObservedMolecule::activateObserver()
+{
+  // sign on as observer (obtain non-const instance before)
+  const molecule * const _molecule = getMolecule(getMolIndex());
+  if (_molecule != NULL) {
+    Observable::channels_t channels = getAllObservedChannels();
+    owner = static_cast<const Observable *>(_molecule);
+    for (Observable::channels_t::const_iterator iter = channels.begin();
+        iter != channels.end(); ++iter)
+      owner->signOn(this, *iter);
+  } else
+    signedOffChannels = AllsignedOnChannels;
+}
 
 void QtObservedMolecule::update(Observable *publisher)
-{}
+{
+  ASSERT(0,
+      "QtObservedMolecule::update() - general update from unexpected source.");
+}
 
 void QtObservedMolecule::subjectKilled(Observable *publisher)
-{}
+{
+  ++signedOffChannels;
+
+  if (signedOffChannels == AllsignedOnChannels) {
+    // remove owner: no more signOff needed
+    owner = NULL;
+
+    board.moleculecountsubjectKilled(getMolIndex());
+  }
+}
 
 void QtObservedMolecule::recieveNotification(Observable *publisher, Notification_ptr notification)
-{}
+{
+  const molecule * const _molecule = getMolecule(getMolIndex());
+  // when molecule is NULL we will soon get destroyed anyway
+  if (_molecule == NULL)
+    return;
+  if (publisher == dynamic_cast<const Observable*>(_molecule)){
+    // notification from atom
+#ifdef LOG_OBSERVER
+    observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(static_cast<Observer *>(this))
+          << " received notification from molecule " << getMolIndex() << " for channel "
+          << notification->getChannelNo() << ".";
+#endif
+    switch (notification->getChannelNo()) {
+      case molecule::AtomInserted:
+      {
+        const atomId_t _id = _molecule->lastChangedAtomId();
+        emit atomInserted(_id);
+        break;
+      }
+      case molecule::AtomRemoved:
+      {
+        const atomId_t _id = _molecule->lastChangedAtomId();
+        emit atomRemoved(_id);
+        break;
+      }
+      case molecule::BoundingBoxChanged:
+      {
+  #ifdef LOG_OBSERVER
+        observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that bounding box has changed.";
+  #endif
+        emit tesselationhullChanged();
+        emit boundingboxChanged();
+        break;
+      }
+      case molecule::IndexChanged:
+      {
+  #ifdef LOG_OBSERVER
+        const atomId_t _id = _molecule->lastChangedAtomId();
+        observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that atom "+toString(_id)+"'s index has changed.";
+  #endif
+        emit indexChanged();
+        break;
+      }
+      case molecule::MoleculeNameChanged:
+      {
+  #ifdef LOG_OBSERVER
+        observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that name has changed.";
+  #endif
+        emit nameChanged();
+        break;
+      }
+      default:
+        break;
+    }
+  }
+}
+
+const molecule * const QtObservedMolecule::getMolecule(const moleculeId_t _id)
+{
+  const molecule * const mol = const_cast<const World &>(World::getInstance()).
+      getMolecule(MoleculeById(_id));
+  return mol;
+}
+
+static molecule::BoundingBoxInfo initBoundingBox()
+{
+  molecule::BoundingBoxInfo info;
+  info.position = zeroVec;
+  info.radius = 0.;
+  return info;
+}
+
+void QtObservedMolecule::initObservedValues(
+    ObservedValues_t &_ObservedValues,
+    const moleculeId_t _molid,
+    const molecule * const _molref,
+    const boost::function<void(const moleculeId_t)> &_subjectKilled)
+{
+  /* This is an old note from when the code was still part of cstor's initializer body.
+   * TODO: Probably does not apply anymore but has not yet been tested.
+   *
+   * We must not use boost::cref(this) as "this" has not been properly constructed and seemingly
+   * boost::cref tries to do some magic to grasp the inheritance hierarchy which fails because
+   * the class has not been fully constructed yet. "This" itself seems to be working fine.
+   */
+
+  ASSERT( _ObservedValues.size() == MAX_ObservedTypes,
+      "QtObservedMolecule::initObservedValues() - given ObservedValues has not correct size.");
+
+  // fill ObservedValues: index first
+  const boost::function<moleculeId_t ()> MolIndexUpdater(
+      boost::bind(&QtObservedMolecule::updateIndex));
+
+  ObservedValue_wCallback<moleculeId_t> * const IndexObservable =
+      new ObservedValue_wCallback<moleculeId_t>(
+        _molref,
+        MolIndexUpdater,
+        "MoleculeIndex_"+toString(_molid),
+        _molid,
+        IndexChannels,
+        _subjectKilled);
+  _ObservedValues[MolIndex] = IndexObservable;
+
+  const boost::function<const moleculeId_t ()> MolIndexGetter =
+      boost::bind(&ObservedValue_wCallback<moleculeId_t>::get,
+          IndexObservable);
+
+  // fill ObservedValues: then all the other that need index
+  const boost::function<std::string ()> MolNameUpdater(
+      boost::bind(&QtObservedMolecule::updateName, MolIndexGetter));
+  const boost::function<molecule::BoundingBoxInfo ()> BoundingBoxUpdater(
+      boost::bind(&QtObservedMolecule::updateBoundingBox, MolIndexGetter));
+
+  _ObservedValues[MolName] = new ObservedValue_wCallback<std::string, moleculeId_t>(
+      _molref,
+      MolNameUpdater,
+      "MoleculeName_"+toString(_molid),
+      MolNameUpdater(),
+      NameChannels,
+      _subjectKilled,
+      MolIndexGetter);
+  _ObservedValues[BoundingBox] = new ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t>(
+      _molref,
+      BoundingBoxUpdater,
+      "MoleculeBoundingBox_"+toString(_molid),
+      initBoundingBox(),
+      BoundingBoxChannels,
+      _subjectKilled,
+      MolIndexGetter);
+}
+
+void QtObservedMolecule::destroyObservedValues(
+    std::vector<boost::any> &_ObservedValues)
+{
+  delete boost::any_cast<ObservedValue_wCallback<moleculeId_t> *>(_ObservedValues[MolIndex]);
+  delete boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(_ObservedValues[MolName]);
+  delete boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t> *>(_ObservedValues[BoundingBox]);
+  _ObservedValues.clear();
+}
+
+molecule::BoundingBoxInfo QtObservedMolecule::updateBoundingBox(
+    const boost::function<const moleculeId_t ()> &_getMolIndex)
+{
+  const molecule * const mol = getMolecule(_getMolIndex());
+  if (mol != NULL)
+    return mol->getBoundingBox();
+  else
+    return molecule::BoundingBoxInfo();
+}
+
+moleculeId_t QtObservedMolecule::updateIndex()
+{
+  return const_cast<const World &>(World::getInstance()).lastChangedMolId();
+}
+
+std::string QtObservedMolecule::updateName(
+    const boost::function<const moleculeId_t ()> &_getMolIndex)
+{
+  const molecule * const mol = getMolecule(_getMolIndex());
+  if (mol != NULL)
+    return mol->getName();
+  else
+    return std::string("");
+}
+
+moleculeId_t QtObservedMolecule::getMolIndex() const
+{
+  return boost::any_cast<ObservedValue_wCallback<moleculeId_t> *>(ObservedValues[MolIndex])->get();
+}
+
+std::string QtObservedMolecule::getMolName() const
+{
+  return boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(ObservedValues[MolName])->get();
+}
+
+molecule::BoundingBoxInfo QtObservedMolecule::getBoundingBox() const
+{
+  return boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t> *>(ObservedValues[BoundingBox])->get();
+}

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp

@@ -17 +17 @@
 #include <QtGui/QWidget>
 
+#include <boost/function.hpp>
 #include <boost/shared_ptr.hpp>
 
+#include "CodePatterns/Observer/Observable.hpp"
 #include "CodePatterns/Observer/Observer.hpp"
 
+#include "molecule.hpp"
 #include "UIElements/Qt4/InstanceBoard/ObservedValue_types.hpp"
 #include "UIElements/Qt4/InstanceBoard/ObservedValuesContainer.hpp"
@@ -41 +44 @@
   Q_OBJECT
 
+public:
+
+  //!> typedef for instance wrapped in shared ptr
+  typedef boost::shared_ptr<QtObservedMolecule> ptr;
+
+private:
   //!> ObservedValuesContainer needs to access private cstor and dstor
   friend class ObservedValuesContainer<QtObservedMolecule, moleculeId_t>;
@@ -46 +55 @@
   friend class QtObservedInstanceBoard;
 
-  //!> typedef for instance wrapped in shared ptr
-  typedef boost::shared_ptr<QtObservedMolecule> ptr;
-
   /** Cstor of QtObservedMolecule.
    *
-   * \param _obsvalues ref to set of observed values for this instance
+   * \param _ObservedValues ref to set of observed values for this instance
+   * \param _board ref to InstanceBoard for callbacks on occasion of subjectKilled()
    * \param _parent Qt parent to automatically destroy when parent is destroyed
    */
   QtObservedMolecule(
-      const ObservedValues_t &_obsvalues,
+      const ObservedValues_t &_ObservedValues,
+      QtObservedInstanceBoard &_board,
       QWidget * _parent=0);
 
@@ -70 +78 @@
   void recieveNotification(Observable *publisher, Notification_ptr notification);
 
+  /** Getter to molecule index contained in \a ObservedValues.
+   *
+   * \return molecule's index
+   */
+  moleculeId_t getMolIndex() const;
+
+  /** Getter to molecule name contained in \a ObservedValues.
+   *
+   * \return molecule's name
+   */
+  std::string getMolName() const;
+
+  /** Getter to molecule's bounding box contained in \a ObservedValues.
+   *
+   * \return molecule's bounding box
+   */
+  molecule::BoundingBoxInfo getBoundingBox() const;
+
+  static const molecule * const getMolecule(const moleculeId_t _id);
+
 signals:
-
-private slots:
-
+  void indexChanged();
+  void nameChanged();
+  void tesselationhullChanged();
+  void boundingboxChanged();
+  void atomInserted(const atomId_t);
+  void atomRemoved(const atomId_t);
 
 private:
+
+  void activateObserver();
+  void deactivateObserver();
+
+private:
+  static molecule::BoundingBoxInfo updateBoundingBox(
+      const boost::function<const moleculeId_t ()> &_getMolIndex);
+  static moleculeId_t updateIndex();
+  static std::string updateName(
+      const boost::function<const moleculeId_t ()> &_getMolIndex);
+
+  //!> 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;
+  //!> list of channels when the name needs to update
+  static const Observable::channels_t NameChannels;
+
+private:
+  /** Observed Values **/
+
+  //!> enumeration of observed values to match with entries in ObservedValues
+  enum ObservedTypes {
+    //!> contains the current molecule index
+    MolIndex,
+    //!> contains the current molecule name
+    MolName,
+    //!> contains newest version of the bounding box on request
+    BoundingBox,
+    //!> gives the size of the enumeration
+    MAX_ObservedTypes
+  };
+
+  /** Initializes all \a _ObservedValues entries.
+   *
+   * \param _ObservedValues vector of ObservedValue to be filled
+   * \param _moid molecule id
+   * \param _molref reference to molecule
+   * \param _subjectKilled ref to function to call on subjectKilled()
+   */
+  static void initObservedValues(
+      ObservedValues_t &_ObservedValues,
+      const moleculeId_t _molid,
+      const molecule * const _molref,
+      const boost::function<void(const moleculeId_t)> &_subjectKilled);
+
+  /** Destroys all \a ObservedValues entries.
+   *
+   * \param _ObservedValues vector of ObservedValue to be destroyed
+   */
+  static void destroyObservedValues(
+      std::vector<boost::any> &_ObservedValues);
+
+  //!> counts how many ObservedValues have already been subjectKilled()
+  mutable size_t subjectKilledCount;
+
+private:
+
+  //!> we get multiple subjectKilled(), count and call callback() only on last
+  const unsigned int AllsignedOnChannels;
+  unsigned int signedOffChannels;
+
+  //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
+  const Observable *owner;
+
+private:
+
+  //!> reference to InstanceBoard for callbacks on subjectKilled()
+  QtObservedInstanceBoard & board;
+
   //!> internal reference to ObservedValues held by QtObservedInstanceBoard
-  const ObservedValues_t &obsvalues;
+  ObservedValues_t ObservedValues;
 };
 

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

@@ -94 +94 @@
   LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(newId)+".");
   setObjectId(newId);
+
+  emit indexChanged(this, oldId, newId);
 }
 

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

@@ -56 +56 @@
   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 indexChanged(GLMoleculeObject_atom*, const atomId_t _oldid, const atomId_t _newid);
 
 private:

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

@@ -39 +39 @@
 #include <Qt3D/qglscenenode.h>
 
+#include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
+
 #include "CodePatterns/MemDebug.hpp"
-
 
 #include <cmath>
@@ -55 +56 @@
 #include "LinearAlgebra/Line.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
+#include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp"
 #include "World.hpp"
-
-#include "ObservedValue_wCallback.hpp"
 
 

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

@@ -40 +40 @@
 #include <Qt3D/qglbuilder.h>
 
+#include "UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp"
+
 #include "CodePatterns/MemDebug.hpp"
 
@@ -47 +49 @@
 #include "CodePatterns/IteratorAdaptors.hpp"
 #include "CodePatterns/Log.hpp"
-#include "CodePatterns/Observer/Notification.hpp"
-#include "CodePatterns/Observer/ObserverLog.hpp"
-
-#include "Atom/atom.hpp"
-#include "molecule.hpp"
-#include "Descriptors/AtomIdDescriptor.hpp"
-#include "Descriptors/MoleculeIdDescriptor.hpp"
-#include "Element/element.hpp"
+
 #include "LinearAlgebra/Vector.hpp"
 #include "LinkedCell/PointCloudAdaptor.hpp"
@@ -66 +61 @@
 #include "World.hpp"
 
-#include "ObservedValue_wCallback.hpp"
-#include "ObservedValue_UpdateAtoms.hpp"
-
 using namespace boost::assign;
-
-#include "GLMoleculeObject_atom.hpp"
 
 static Observable::channels_t getAllAtomicChangesChannels()
@@ -80 +70 @@
 }
 
-static Observable::channels_t getAllAtomicObservedChannels()
-{
-  Observable::channels_t channels;
-  channels += molecule::AtomInserted, molecule::AtomRemoved, molecule::AtomMoved;
-  return channels;
-}
-
-// static instances
 const Observable::channels_t GLMoleculeObject_molecule::HullChannels(getAllAtomicChangesChannels());
-const Observable::channels_t GLMoleculeObject_molecule::BoundingBoxChannels(1, molecule::BoundingBoxChanged);
-const Observable::channels_t GLMoleculeObject_molecule::IndexChannels(1, molecule::IndexChanged);
-const Observable::channels_t GLMoleculeObject_molecule::NameChannels(1, molecule::MoleculeNameChanged);
 
 static QGLSceneNode *createMoleculeMesh(const QGeometryData &_geo)
@@ -104 +83 @@
 GLMoleculeObject_molecule::GLMoleculeObject_molecule(
     QObject *parent,
-    const moleculeId_t _molid,
-    QtObservedInstanceBoard * _board,
-    std::vector<boost::any> _ObservedValues) :
+    QtObservedInstanceBoard &_board,
+    QtObservedMolecule::ptr _ObservedMolecule) :
   GLMoleculeObject((QGLSceneNode *)NULL, parent),
-  Observer(std::string("GLMoleculeObject_molecule")+toString(_molid)),
   owner(NULL),
-  molref(getMolecule(_molid)),
+  molref(QtObservedMolecule::getMolecule(_ObservedMolecule->getMolIndex())),
   /* We must not use boost::cref(this) as "this" has not been properly constructed and seemingly
    * boost::cref tries to do some magic to grasp the inheritance hierarchy which fails because
    * the class has not been fully constructed yet. "This" itself seems to be working fine.
    */
-  ObservedValues(_ObservedValues),
-  subjectKilledCount(0),
   TesselationHullUpdater(
       boost::bind(&GLMoleculeObject_molecule::updateTesselationHull, this)
@@ -123 +98 @@
       molref,
       TesselationHullUpdater,
-      "MoleculeTesselationHull_"+toString(_molid),
+      "MoleculeTesselationHull_"+toString(_ObservedMolecule->getMolIndex()),
       HullChannels),
   hoverAtomId(-1),
-  AllsignedOnChannels(getAllAtomicObservedChannels().size()),
-  signedOnChannels(0),
-  board(_board)
-{
-  init(_molid);
+  board(_board),
+  ObservedMolecule(_ObservedMolecule)
+{
+  init(ObservedMolecule->getMolIndex());
 }
 
@@ -136 +110 @@
     QGLSceneNode *mesh[],
     QObject *parent,
-    const moleculeId_t _molid,
-    QtObservedInstanceBoard * _board,
-    std::vector<boost::any> _ObservedValues) :
+    QtObservedInstanceBoard &_board,
+    QtObservedMolecule::ptr _ObservedMolecule) :
   GLMoleculeObject(mesh, parent),
-  Observer(std::string("GLMoleculeObject_molecule")+toString(_molid)),
   owner(NULL),
-  molref(getMolecule(_molid)),
+  molref(QtObservedMolecule::getMolecule(_ObservedMolecule->getMolIndex())),
   /* We must not use boost::cref(this) as "this" has not been properly constructed and seemingly
    * boost::cref tries to do some magic to grasp the inheritance hierarchy which fails because
    * the class has not been fully constructed yet. "This" itself seems to be working fine.
    */
-  ObservedValues(_ObservedValues),
-  subjectKilledCount(0),
   TesselationHullUpdater(
       boost::bind(&GLMoleculeObject_molecule::updateTesselationHull, this)
@@ -155 +125 @@
       molref,
       TesselationHullUpdater,
-      "MoleculeTesselationHull_"+toString(_molid),
+      "MoleculeTesselationHull_"+toString(_ObservedMolecule->getMolIndex()),
       HullChannels),
   hoverAtomId(-1),
-  AllsignedOnChannels(getAllAtomicObservedChannels().size()),
-  signedOnChannels(0),
-  board(_board)
-{
-  init(_molid);
+  board(_board),
+  ObservedMolecule(_ObservedMolecule)
+{
+  init(ObservedMolecule->getMolIndex());
 }
 
@@ -175 +144 @@
   m_visible = false;
 
-  activateObserver();
-
   connect (this, SIGNAL(hoverChanged(GLMoleculeObject *)), this, SLOT(hoverChangedSignalled(GLMoleculeObject *)));
   connect (this, SIGNAL(hoverChanged(GLMoleculeObject *)), this, SIGNAL(changed()));
-  connect (this, SIGNAL(TesselationHullChanged()), this, SLOT(resetTesselationHull()), Qt::QueuedConnection);
-  connect (this, SIGNAL(BoundingBoxChanged()), this, SLOT(resetBoundingBox()), Qt::QueuedConnection);
-  connect (this, SIGNAL(IdChanged()), this, SLOT(resetIndex()), Qt::QueuedConnection);
-  connect (this, SIGNAL(AtomInserted(const atomId_t)), this, SLOT(atomInserted(const atomId_t)), Qt::QueuedConnection);
-  connect (this, SIGNAL(AtomRemoved(const atomId_t)), this, SLOT(atomRemoved(const atomId_t)), Qt::QueuedConnection);
-  if (board != NULL) {
-    connect(board, SIGNAL(atomInserted(const atomId_t)),
-        this, SLOT(atomInserted(const atomId_t)));
-    connect(board, SIGNAL(atomRemoved(const atomId_t)),
-        this, SLOT(atomRemoved(const atomId_t)));
-  }
+  connect (ObservedMolecule.get(), SIGNAL(tesselationhullChanged()), this, SLOT(resetTesselationHull()));
+  connect (ObservedMolecule.get(), SIGNAL(boundingboxChanged()), this, SLOT(resetBoundingBox()));
+  connect (ObservedMolecule.get(), SIGNAL(indexChanged()), this, SLOT(resetIndex()));
+  connect (ObservedMolecule.get(), SIGNAL(atomInserted(const atomId_t)), this, SLOT(atomInserted(const atomId_t)));
+  connect (ObservedMolecule.get(), SIGNAL(atomRemoved(const atomId_t)), this, SLOT(atomRemoved(const atomId_t)));
 
   connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
@@ -195 +156 @@
 
 GLMoleculeObject_molecule::~GLMoleculeObject_molecule()
-{
-  deactivateObserver();
-  board->returnMoleculeObservedValues(getMolIndex(), ObservedValues);
-}
-
-void GLMoleculeObject_molecule::deactivateObserver()
-{
-  if (owner != NULL) {
-    Observable::channels_t channels = getAllAtomicObservedChannels();
-    for (Observable::channels_t::const_iterator iter = channels.begin();
-        iter != channels.end(); ++iter)
-      owner->signOff(this, *iter);
-    owner = NULL;
-    signedOnChannels = 0;
-  }
-}
-
-void GLMoleculeObject_molecule::activateObserver()
-{
-  // sign on as observer (obtain non-const instance before)
-  const molecule * const _molecule = getMolecule(getMolIndex());
-  if (_molecule != NULL) {
-    Observable::channels_t channels = getAllAtomicObservedChannels();
-    owner = static_cast<const Observable *>(_molecule);
-    for (Observable::channels_t::const_iterator iter = channels.begin();
-        iter != channels.end(); ++iter)
-      owner->signOn(this, *iter);
-  } else {
-    ELOG(1, "GLMoleculeObject_molecule() - added null object for not present mol id " << getMolIndex());
-  }
-
-}
+{}
 
 void GLMoleculeObject_molecule::addAtomBonds(
@@ -249 +179 @@
   QGeometryData geo;
 
-  const molecule * const molref = getMolecule(getMolIndex());
+  const molecule * const molref =
+      QtObservedMolecule::getMolecule(ObservedMolecule->getMolIndex());
   if (molref == NULL) {
-    ELOG(1, "Could not createMoleculeMesh, molecule with id " << getMolIndex() << " already gone.");
+    ELOG(1, "Could not createMoleculeMesh, molecule with id "
+        << ObservedMolecule->getMolIndex() << " already gone.");
     return geo;
   }
@@ -273 +205 @@
     // Tesselate the points.
     Tesselation T;
-    PointCloudAdaptor<molecule> cloud(const_cast<molecule *>(molref), getMolName());
+    PointCloudAdaptor<molecule> cloud(
+        const_cast<molecule *>(molref),
+        ObservedMolecule->getMolName());
     T(cloud, minradius);
 
@@ -320 +254 @@
 }
 
-molecule::BoundingBoxInfo GLMoleculeObject_molecule::initBoundingBox()
-{
-  molecule::BoundingBoxInfo info;
-  info.position = zeroVec;
-  info.radius = 0.;
-  return info;
-}
-
-molecule::BoundingBoxInfo GLMoleculeObject_molecule::updateBoundingBox(
-    const boost::function<const moleculeId_t ()> &_getMolIndex)
-{
-  const molecule * const mol = getMolecule(_getMolIndex());
-  return mol->getBoundingBox();
-}
-
-moleculeId_t GLMoleculeObject_molecule::updateIndex()
-{
-  return const_cast<const World &>(World::getInstance()).lastChangedMolId();
-}
-
-std::string GLMoleculeObject_molecule::updateName(
-    const boost::function<const moleculeId_t ()> &_getMolIndex)
-{
-  const molecule * const mol = getMolecule(_getMolIndex());
-  return mol->getName();
-}
-
 void GLMoleculeObject_molecule::resetTesselationHull()
 {
@@ -356 +263 @@
 void GLMoleculeObject_molecule::resetBoundingBox()
 {
-  molecule::BoundingBoxInfo info = getBoundingBox();
+  molecule::BoundingBoxInfo info = ObservedMolecule->getBoundingBox();
   setPosition(QVector3D(info.position[0], info.position[1], info.position[2]));
   setScale(info.radius + 0.3); // getBoundingSphere() only sees atoms as points, so make the box a bit bigger
@@ -363 +270 @@
 void GLMoleculeObject_molecule::resetIndex()
 {
-  const atomId_t newId = getMolIndex();
+  const atomId_t newId = ObservedMolecule->getMolIndex();
   const size_t oldId = objectId();
   ASSERT( newId != oldId,
@@ -371 +278 @@
 
   emit indexChanged(this, oldId, newId);
-}
-
-void GLMoleculeObject_molecule::resetName()
-{
 }
 
@@ -418 +321 @@
 }
 
-void GLMoleculeObject_molecule::update(Observable *publisher)
-{
-  ASSERT(0,
-      "GLMoleculeObject_molecule::update() - general update from unexpected source.");
-}
-
-void GLMoleculeObject_molecule::subjectKilled(Observable *publisher)
-{
-  ++signedOnChannels;
-
-  if (signedOnChannels == AllsignedOnChannels) {
-    // remove owner: no more signOff needed
-    owner = NULL;
-
-    board->moleculecountsubjectKilled(getMolIndex());
-  }
-}
-
-void GLMoleculeObject_molecule::recieveNotification(Observable *publisher, Notification_ptr notification)
-{
-  const molecule * const _molecule = getMolecule(getMolIndex());
-  // when molecule is NULL we will soon get destroyed anyway
-  if (_molecule == NULL)
-    return;
-  if (publisher == dynamic_cast<const Observable*>(_molecule)){
-    // notification from atom
-#ifdef LOG_OBSERVER
-    observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(static_cast<Observer *>(this))
-          << " received notification from molecule " << getMolIndex() << " for channel "
-          << notification->getChannelNo() << ".";
-#endif
-    switch (notification->getChannelNo()) {
-      case molecule::AtomInserted:
-      case molecule::AtomRemoved:
-      case molecule::AtomMoved:
-      {
-  #ifdef LOG_OBSERVER
-        observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that atom "+toString(_id)+" has been inserted.";
-  #endif
-        emit TesselationHullChanged();
-        emit BoundingBoxChanged();
-        break;
-      }
-      case molecule::IndexChanged:
-      {
-  #ifdef LOG_OBSERVER
-        const atomId_t _id = _molecule->lastChangedAtomId();
-        observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that atom "+toString(_id)+"'s index has changed.";
-  #endif
-        emit IdChanged();
-        break;
-      }
-      default:
-        break;
-    }
-  }
-}
 
 void GLMoleculeObject_molecule::initialize(QGLView *view, QGLPainter *painter)
@@ -573 +419 @@
           GLMoleculeObject::meshSphere,
           this,
-          board->getObservedAtom(_id));
+          board.getObservedAtom(_id));
   ASSERT( atomObject != NULL,
       "GLMoleculeObject_molecule::atomInserted - could not create atom object for "+toString(_id));
@@ -582 +428 @@
 
   qRegisterMetaType<atomId_t>("atomId_t");
-  qRegisterMetaType<bond::ptr>("bond::ptr");
   qRegisterMetaType<GLMoleculeObject_bond::SideOfBond>("GLMoleculeObject_bond::SideOfBond");
   connect (atomObject, SIGNAL(clicked(atomId_t)), this, SIGNAL(atomClicked(atomId_t)));
@@ -645 +490 @@
     if (moleculeObject == this){
       // Propagate signal.
-      emit hoverChanged(getMolIndex(), 0);
+      emit hoverChanged(ObservedMolecule->getMolIndex(), 0);
     }
   }
@@ -748 +593 @@
 void GLMoleculeObject_molecule::wasClicked()
 {
-  LOG(4, "INFO: GLMoleculeObject_molecule: atom " << getMolIndex() << " has been clicked");
-  emit moleculeClicked(getMolIndex());
+  LOG(4, "INFO: GLMoleculeObject_molecule: atom "
+      << ObservedMolecule->getMolIndex() << " has been clicked");
+  emit moleculeClicked(ObservedMolecule->getMolIndex());
 }
 
@@ -777 +623 @@
 }
 
-const molecule * const GLMoleculeObject_molecule::getMolecule(const moleculeId_t _id)
-{
-  const molecule * const mol = const_cast<const World &>(World::getInstance()).
-      getMolecule(MoleculeById(_id));
-  return mol;
-}
-
-void GLMoleculeObject_molecule::initObservedValues(
-    std::vector<boost::any> &_ObservedValues,
-    const moleculeId_t _molid,
-    const molecule * const _molref,
-    const boost::function<void(const moleculeId_t)> &_subjectKilled)
-{
-  /* This is an old note from when the code was still part of cstor's initializer body.
-   * TODO: Probably does not apply anymore but has not yet been tested.
-   *
-   * We must not use boost::cref(this) as "this" has not been properly constructed and seemingly
-   * boost::cref tries to do some magic to grasp the inheritance hierarchy which fails because
-   * the class has not been fully constructed yet. "This" itself seems to be working fine.
-   */
-
-  ASSERT( _ObservedValues.size() == MAX_ObservedTypes,
-      "GLMoleculeObject_molecule::initObservedValues() - given ObservedValues has not correct size.");
-
-  // fill ObservedValues: index first
-  const boost::function<moleculeId_t ()> MolIndexUpdater(
-      boost::bind(&GLMoleculeObject_molecule::updateIndex));
-
-  ObservedValue_wCallback<moleculeId_t> * const IndexObservable =
-      new ObservedValue_wCallback<moleculeId_t>(
-        _molref,
-        MolIndexUpdater,
-        "MoleculeIndex_"+toString(_molid),
-        _molid,
-        IndexChannels,
-        _subjectKilled);
-  _ObservedValues[MolIndex] = IndexObservable;
-
-  const boost::function<const moleculeId_t ()> MolIndexGetter =
-      boost::bind(&ObservedValue_wCallback<moleculeId_t>::get,
-          IndexObservable);
-
-  // fill ObservedValues: then all the other that need index
-  const boost::function<std::string ()> MolNameUpdater(
-      boost::bind(&GLMoleculeObject_molecule::updateName, MolIndexGetter));
-  const boost::function<molecule::BoundingBoxInfo ()> BoundingBoxUpdater(
-      boost::bind(&GLMoleculeObject_molecule::updateBoundingBox, MolIndexGetter));
-
-  _ObservedValues[MolName] = new ObservedValue_wCallback<std::string, moleculeId_t>(
-      _molref,
-      MolNameUpdater,
-      "MoleculeName_"+toString(_molid),
-      MolNameUpdater(),
-      NameChannels,
-      _subjectKilled,
-      MolIndexGetter);
-  _ObservedValues[BoundingBox] = new ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t>(
-      _molref,
-      BoundingBoxUpdater,
-      "MoleculeBoundingBox_"+toString(_molid),
-      initBoundingBox(),
-      BoundingBoxChannels,
-      _subjectKilled,
-      MolIndexGetter);
-}
-
-void GLMoleculeObject_molecule::destroyObservedValues(
-    std::vector<boost::any> &_ObservedValues)
-{
-  delete boost::any_cast<ObservedValue_wCallback<moleculeId_t> *>(_ObservedValues[MolIndex]);
-  delete boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(_ObservedValues[MolName]);
-  delete boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t> *>(_ObservedValues[BoundingBox]);
-  _ObservedValues.clear();
-}
-
-moleculeId_t GLMoleculeObject_molecule::getMolIndex() const
-{
-  return boost::any_cast<ObservedValue_wCallback<moleculeId_t> *>(ObservedValues[MolIndex])->get();
-}
-
-std::string GLMoleculeObject_molecule::getMolName() const
-{
-  return boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(ObservedValues[MolName])->get();
-}
-
-molecule::BoundingBoxInfo GLMoleculeObject_molecule::getBoundingBox() const
-{
-  return boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t> *>(ObservedValues[BoundingBox])->get();
-}
 
 GLMoleculeObject_molecule::atoms_t GLMoleculeObject_molecule::getPresentAtoms() const

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

@@ -18 +18 @@
 #include <Qt3D/qgeometrydata.h>
 
-#include <vector>
-#include <boost/any.hpp>
+#include "UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp"
+
+#include <map>
+
 #include <boost/function.hpp>
 
 #include "CodePatterns/Cacheable.hpp"
-#include "CodePatterns/Observer/Observer.hpp"
-#include "CodePatterns/ObservedValue.hpp"
+#include "CodePatterns/Observer/Observable.hpp"
 
 #include "GLMoleculeObject_bond.hpp"
 
-#include "molecule.hpp"
+#include "types.hpp"
 
 class atom;
 class bond;
+class molecule;
 class GLMoleculeObject_atom;
 class GLWorldScene;
 class QtObservedInstanceBoard;
 
-class GLMoleculeObject_molecule : public GLMoleculeObject, public Observer
+class GLMoleculeObject_molecule : public GLMoleculeObject
 {
   Q_OBJECT
@@ -42 +44 @@
   GLMoleculeObject_molecule(
       QObject *parent,
-      const moleculeId_t molid,
-      QtObservedInstanceBoard * _board,
-      std::vector<boost::any> _ObservedValues);
+      QtObservedInstanceBoard &_board,
+      QtObservedMolecule::ptr _ObservedMolecule);
   GLMoleculeObject_molecule(
       QGLSceneNode *mesh[],
       QObject *parent,
-      const moleculeId_t molid,
-      QtObservedInstanceBoard * _board,
-      std::vector<boost::any> _ObservedValues);
+      QtObservedInstanceBoard &_board,
+      QtObservedMolecule::ptr _ObservedMolecule);
   virtual ~GLMoleculeObject_molecule();
-
-  // Observer functions
-  void update(Observable *publisher);
-  void subjectKilled(Observable *publisher);
-  void recieveNotification(Observable *publisher, Notification_ptr notification);
 
   void initialize(QGLView *view, QGLPainter *painter);
@@ -76 +71 @@
   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:
@@ -97 +87 @@
   void setVisible(bool value);
 
-  void activateObserver();
-  void deactivateObserver();
-
   void resetTesselationHull();
   void resetBoundingBox();
   void resetIndex();
-  void resetName();
 
   void AtomSelected(const atomId_t _id);
@@ -111 +97 @@
 
 private:
-  static const molecule * const getMolecule(const moleculeId_t _id);
-
-  void init(const moleculeId_t _molid);
-
-private:
   void addAtomBonds(
       const bond::ptr &_bond,
@@ -121 +102 @@
       );
 
+  void init(const moleculeId_t _molid);
+
   //!> typedef for the internal set of atoms
   typedef std::set<atomId_t> atoms_t;
-
-  static molecule::BoundingBoxInfo initBoundingBox();
-
-  QGeometryData updateTesselationHull() const;
-  static molecule::BoundingBoxInfo updateBoundingBox(
-      const boost::function<const moleculeId_t ()> &_getMolIndex);
-  static moleculeId_t updateIndex();
-  static std::string updateName(
-      const boost::function<const moleculeId_t ()> &_getMolIndex);
 
   /** Getter to contained atoms contained in \a ObservedValues.
@@ -139 +113 @@
   atoms_t getPresentAtoms() const;
 
+private:
+
   //!> 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;
+  QGeometryData updateTesselationHull() const;
 
   //!> list of channels when tesselation hull needs to update
   static const Observable::channels_t HullChannels;
-  //!> 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;
-  //!> list of channels when the name needs to update
-  static const Observable::channels_t NameChannels;
 
-private:
-  friend class QtObservedInstanceBoard;
-  /** Observed Values **/
-
-  //!> enumeration of observed values to match with entries in ObservedValues
-  enum ObservedTypes {
-    //!> contains the current molecule index
-    MolIndex,
-    //!> contains the current molecule name
-    MolName,
-    //!> contains newest version of the bounding box on request
-    BoundingBox,
-    //!> gives the size of the enumeration
-    MAX_ObservedTypes
-  };
-
-  //!> vector with all observed values
-  std::vector<boost::any> ObservedValues;
-
-  /** Initializes all \a _ObservedValues entries.
-   *
-   * \param _ObservedValues vector of ObservedValue to be filled
-   * \param _moid molecule id
-   * \param _molref reference to molecule
-   * \param _subjectKilled ref to function to call on subjectKilled()
-   */
-  static void initObservedValues(
-      std::vector<boost::any> &_ObservedValues,
-      const moleculeId_t _molid,
-      const molecule * const _molref,
-      const boost::function<void(const moleculeId_t)> &_subjectKilled);
-
-  /** Destroys all \a ObservedValues entries.
-   *
-   * \param _ObservedValues vector of ObservedValue to be destroyed
-   */
-  static void destroyObservedValues(
-      std::vector<boost::any> &_ObservedValues);
-
-  /** Getter to molecule index contained in \a ObservedValues.
-   *
-   * \return molecule's index
-   */
-  moleculeId_t getMolIndex() const;
-
-  /** Getter to molecule name contained in \a ObservedValues.
-   *
-   * \return molecule's name
-   */
-  std::string getMolName() const;
-
-  /** Getter to molecule's bounding box contained in \a ObservedValues.
-   *
-   * \return molecule's bounding box
-   */
-  molecule::BoundingBoxInfo getBoundingBox() const;
-
-  //!> counts how many ObservedValues have already been subjectKilled()
-  mutable size_t subjectKilledCount;
-
-private:
+  //!> internal variable for caching molecule ref in cstor
+  const molecule * const molref;
 
   boost::function<QGeometryData ()> TesselationHullUpdater;
@@ -231 +141 @@
   atomId_t hoverAtomId;
 
-  //!> we get multiple subjectKilled(), count and call callback() only on last
-  const unsigned int AllsignedOnChannels;
-  unsigned int signedOnChannels;
+  QtObservedInstanceBoard &board;
 
-  QtObservedInstanceBoard * board;
+  QtObservedMolecule::ptr ObservedMolecule;
 };
 

src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp

@@ -166 +166 @@
   MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(_molid);
   if (moliter != MoleculesinSceneMap.end()) {
-    // pass signal through
-    GLMoleculeObject_molecule *molObject = moliter->second;
-    QMetaObject::invokeMethod(molObject,        // pointer to a QObject
-                              "atomInserted",       // member name (no parameters here)
-                              Qt::QueuedConnection,     // connection type
-                              Q_ARG(const atomId_t, _atomid));     // parameters
+    // no action, is also caught via QtObservedMolecule by GLMoleculeObject_molecule
   } else {
     // store signal for when it is instantiated
@@ -194 +189 @@
   MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(_molid);
   if (moliter != MoleculesinSceneMap.end()) {
-    // pass signal through
-    GLMoleculeObject_molecule *molObject = moliter->second;
-    QMetaObject::invokeMethod(molObject,        // pointer to a QObject
-                              "atomRemoved",       // member name (no parameters here)
-                              Qt::QueuedConnection,     // connection type
-                              Q_ARG(const atomId_t, _atomid));     // parameters
+    // no action, is also caught via QtObservedMolecule by GLMoleculeObject_molecule
   } else {
     // store signal for when it is instantiated
@@ -238 +228 @@
           GLMoleculeObject::meshEmpty,
           this,
-          _id,
-          board,
-          board->getMoleculeObservedValues(_id));
+          *board,
+          board->getObservedMolecule(_id));
   ASSERT( molObject != NULL,
       "GLWorldScene::moleculeInserted - could not create molecule object for "+toString(_id));