Changeset 16bd37 for src/UIElements

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.

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLMoleculeObject_atom.cpp (modified) (7 diffs)
• GLMoleculeObject_atom.hpp (modified) (2 diffs)

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

@@ -86 +86 @@
   owner(NULL)
 {
-  initObservedValues(_id);
+  boost::function<void()> subjectKilled =
+      boost::bind(&GLMoleculeObject_atom::countsubjectKilled, this);
+  initObservedValues(ObservedValues, _id, atomref, subjectKilled);
 
   setObjectId(_id);
@@ -136 +138 @@
 {
   deactivateObserver();
-  destroyObservedValues();
+  destroyObservedValues(ObservedValues);
 }
 
@@ -259 +261 @@
 }
 
-atomId_t GLMoleculeObject_atom::updateIndex() const
+atomId_t GLMoleculeObject_atom::updateIndex()
 {
   return const_cast<const World &>(World::getInstance()).lastChangedAtomId();
 }
 
-Vector GLMoleculeObject_atom::updatePosition() const
-{
-  const atom * const _atom = getAtom(getAtomIndex());
+Vector GLMoleculeObject_atom::updatePosition(
+    const boost::function<const atomId_t ()> &_getAtomIndex)
+{
+  const atom * const _atom = getAtomConst(_getAtomIndex());
   if (_atom != NULL) {
     return _atom->getPosition();
@@ -274 +277 @@
 }
 
-atomicNumber_t GLMoleculeObject_atom::updateElement() const
-{
-  const atom * const _atom = getAtom(getAtomIndex());
+atomicNumber_t GLMoleculeObject_atom::updateElement(
+    const boost::function<const atomId_t ()> &_getAtomIndex)
+{
+  const atom * const _atom = getAtomConst(_getAtomIndex());
   if (_atom != NULL) {
     return _atom->getElementNo();
@@ -284 +288 @@
 }
 
-GLMoleculeObject_atom::ListOfBonds_t GLMoleculeObject_atom::updateBonds() const
+GLMoleculeObject_atom::ListOfBonds_t GLMoleculeObject_atom::updateBonds(
+    const boost::function<const atomId_t ()> &_getAtomIndex)
 {
   ListOfBonds_t ListOfBonds;
-  const atom * const _atom = getAtom(getAtomIndex());
+  const atom * const _atom = getAtomConst(_getAtomIndex());
   if (_atom != NULL) {
-    // make sure position is up-to-date
+    // make sure bonds is up-to-date
     const BondList ListBonds = _atom->getListOfBonds();
     for (BondList::const_iterator iter = ListBonds.begin();
@@ -298 +303 @@
           (*iter)->rightatom->getId()) );
   } else {
-    ELOG(2, "Atom with id "+toString(getAtomIndex())+" is already gone.");
+    ELOG(2, "Atom with id "+toString(_getAtomIndex())+" is already gone.");
   }
   return ListOfBonds;
@@ -351 +356 @@
 }
 
-void GLMoleculeObject_atom::initObservedValues(const atomId_t _id)
-{
-  // fill ObservedValues
-  boost::function<void()> subjectKilled =
-      boost::bind(&GLMoleculeObject_atom::countsubjectKilled, this);
-  ObservedValues[AtomIndex] = new ObservedValue_wCallback<atomId_t>(
-      atomref,
-      boost::bind(&GLMoleculeObject_atom::updateIndex, this),
-      "AtomIndex_"+toString(_id),
-      _id,
-      AtomIndexChannels,
-      subjectKilled);
-  ObservedValues[AtomPosition] = new ObservedValue_wCallback<Vector>(
-      atomref,
-      boost::bind(&GLMoleculeObject_atom::updatePosition, this),
+void GLMoleculeObject_atom::initObservedValues(
+    std::vector<boost::any> &_ObservedValues,
+    const atomId_t _id,
+    const atom * const _atomref,
+    const boost::function<void()> &_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_atom::initObservedValues() - given ObservedValues has not correct size.");
+
+  // fill ObservedValues: index first
+  const boost::function<atomId_t ()> AtomIndexUpdater(
+      boost::bind(&GLMoleculeObject_atom::updateIndex));
+
+  ObservedValue_wCallback<atomId_t> * const IndexObservable =
+      new ObservedValue_wCallback<atomId_t>(
+          _atomref,
+          boost::bind(&GLMoleculeObject_atom::updateIndex),
+          "AtomIndex_"+toString(_id),
+          _id,
+          AtomIndexChannels,
+          _subjectKilled);
+  _ObservedValues[AtomIndex] = IndexObservable;
+
+  const boost::function<const atomId_t ()> AtomIndexGetter =
+      boost::bind(&ObservedValue_wCallback<atomId_t>::get,
+          IndexObservable);
+
+  // fill ObservedValues: then all the other that need index
+  const boost::function<Vector ()> AtomPositionUpdater(
+      boost::bind(&GLMoleculeObject_atom::updatePosition, AtomIndexGetter));
+  const boost::function<atomicNumber_t ()> AtomElementUpdater(
+      boost::bind(&GLMoleculeObject_atom::updateElement, AtomIndexGetter));
+  const boost::function<ListOfBonds_t ()> AtomBondsUpdater(
+      boost::bind(&GLMoleculeObject_atom::updateBonds, AtomIndexGetter));
+
+  _ObservedValues[AtomPosition] = new ObservedValue_wCallback<Vector>(
+      _atomref,
+      AtomPositionUpdater,
       "AtomPosition_"+toString(_id),
-      updatePosition(),
+      AtomPositionUpdater(),
       AtomPositionChannels,
-      subjectKilled);
-  ObservedValues[AtomElement] = new ObservedValue_wCallback<atomicNumber_t>(
-      atomref,
-      boost::bind(&GLMoleculeObject_atom::updateElement, this),
+      _subjectKilled);
+  _ObservedValues[AtomElement] = new ObservedValue_wCallback<atomicNumber_t>(
+      _atomref,
+      AtomElementUpdater,
       "AtomElement"+toString(_id),
-      updateElement(),
+      AtomElementUpdater(),
       AtomElementChannels,
-      subjectKilled);
-  ObservedValues[AtomBonds] = new ObservedValue_wCallback<ListOfBonds_t>(
-      atomref,
-      boost::bind(&GLMoleculeObject_atom::updateBonds, this),
+      _subjectKilled);
+  _ObservedValues[AtomBonds] = new ObservedValue_wCallback<ListOfBonds_t>(
+      _atomref,
+      AtomBondsUpdater,
       "AtomBonds_"+toString(_id),
-      updateBonds(),
+      AtomBondsUpdater(),
       AtomBondsChannels,
-      subjectKilled);
-}
-
-void GLMoleculeObject_atom::destroyObservedValues()
-{
-  delete boost::any_cast<ObservedValue_wCallback<atomId_t> *>(ObservedValues[AtomIndex]);
-  delete boost::any_cast<ObservedValue_wCallback<Vector> *>(ObservedValues[AtomPosition]);
-  delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t> *>(ObservedValues[AtomElement]);
-  delete boost::any_cast<ObservedValue_wCallback<ListOfBonds_t> *>(ObservedValues[AtomBonds]);
-  ObservedValues.clear();
+      _subjectKilled);
+}
+
+void GLMoleculeObject_atom::destroyObservedValues(
+    std::vector<boost::any> &_ObservedValues)
+{
+  delete boost::any_cast<ObservedValue_wCallback<atomId_t> *>(_ObservedValues[AtomIndex]);
+  delete boost::any_cast<ObservedValue_wCallback<Vector> *>(_ObservedValues[AtomPosition]);
+  delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t> *>(_ObservedValues[AtomElement]);
+  delete boost::any_cast<ObservedValue_wCallback<ListOfBonds_t> *>(_ObservedValues[AtomBonds]);
+  _ObservedValues.clear();
 }
 

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.