Changeset b65879 for src/UIElements/Views/Qt4/MoleculeList/SpecificItems

Timestamp:

Apr 18, 2016, 10:33:41 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:

743eab

Parents:

55443e

git-author:

Frederik Heber <heber@…> (03/21/16 19:44:17)

git-committer:

Frederik Heber <heber@…> (04/18/16 22:33:41)

Message:

QtMoleculeItems do not store ObservedMolecule::ptr any longer.

• it is given as parameter in updateState().
• in the cstor they only get it to initiate the item text properly.

Location:

src/UIElements/Views/Qt4/MoleculeList/SpecificItems

Files:

• QtMoleculeItem_atomcount.hpp (modified) (1 diff)
• QtMoleculeItem_formula.hpp (modified) (1 diff)
• QtMoleculeItem_name.hpp (modified) (1 diff)
• QtMoleculeItem_occurrence.hpp (modified) (1 diff)
• QtMoleculeItem_visibility.hpp (modified) (1 diff)

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_atomcount.hpp

@@ -27 +27 @@
 
   QtMoleculeItem_atomcount(
-      QtObservedMolecule::ptr &_ObservedMolecule) :
-        QtMoleculeItem(_ObservedMolecule)
+      QtObservedMolecule::ptr &_ObservedMolecule)
   {
     // cannot call pure virtual function in QtMoleculeItem's cstor
-    internal_updateState();
+    updateState(_ObservedMolecule);
   }
 
   /** Performs the update of the molecule's atomcount.
    *
+   * \param _ObservedMolecule object to update state from
    */
-  void internal_updateState()
+  void updateState(const QtObservedMolecule::ptr &_ObservedMolecule)
   {
-    setText(QString::number(ObservedMolecule->getAtomCount()));
+    setText(QString::number(_ObservedMolecule->getAtomCount()));
   }
 

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_formula.hpp

@@ -29 +29 @@
 
   QtMoleculeItem_formula(
-      QtObservedMolecule::ptr &_ObservedMolecule) :
-        QtMoleculeItem(_ObservedMolecule)
+      QtObservedMolecule::ptr &_ObservedMolecule)
   {
     // cannot call pure virtual function in QtMoleculeItem's cstor
-    internal_updateState();
+    updateState(_ObservedMolecule);
   }
 
   /** Performs the update of the molecule's formula.
    *
+   * \param _ObservedMolecule object to update state from
    */
-  void internal_updateState()
+  void updateState(const QtObservedMolecule::ptr &_ObservedMolecule)
   {
-    setText(QString(ObservedMolecule->getMolFormula().c_str()));
+    setText(QString(_ObservedMolecule->getMolFormula().c_str()));
   }
 

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_name.hpp

@@ -28 +28 @@
   QtMoleculeItem_name(
       QtObservedMolecule::ptr &_ObservedMolecule) :
-        QtMoleculeItem(_ObservedMolecule)
+        id(_ObservedMolecule->getMolIndex())
   {
     // cannot call pure virtual function in QtMoleculeItem's cstor
-    internal_updateState();
+    updateState(_ObservedMolecule);
   }
 
   /** Performs the update of the molecule's name.
    *
+   * \param _ObservedMolecule object to update state from
    */
-  void internal_updateState()
+  void updateState(const QtObservedMolecule::ptr &_ObservedMolecule)
   {
-    setText(QString(ObservedMolecule->getMolName().c_str()));
+    setText(QString(_ObservedMolecule->getMolName().c_str()));
   }
 
   QtMoleculeItem::COLUMNTYPES getType() const
   { return QtMoleculeItem::NAME; }
+
+  /** Getter for the id of the observed molecule for this item.
+   *
+   * \return id of the observed molecule
+   */
+  const moleculeId_t getMoleculeId() const
+  { return id; }
+
+private:
+  const moleculeId_t id;
 };
 

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_occurrence.hpp

@@ -27 +27 @@
 
   QtMoleculeItem_occurrence(
-      QtObservedMolecule::ptr &_ObservedMolecule) :
-        QtMoleculeItem(_ObservedMolecule)
+      QtObservedMolecule::ptr &_ObservedMolecule)
   {
     // cannot call pure virtual function in QtMoleculeItem's cstor
-    internal_updateState();
+    updateState(_ObservedMolecule);
   }
 
   /** Performs the update of the molecule's occurrence.
    *
+   * \param _ObservedMolecule object to update state from
    */
-  void internal_updateState()
+  void updateState(const QtObservedMolecule::ptr &_ObservedMolecule)
   {
     setText(QString(""));

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_visibility.hpp

@@ -28 +28 @@
   QtMoleculeItem_visibility(
       QtObservedMolecule::ptr &_ObservedMolecule) :
-        QtMoleculeItem(_ObservedMolecule)
+        id(_ObservedMolecule->getMolIndex())
   {
     setFlags(flags() | Qt::ItemIsUserCheckable);
     setCheckState(Qt::Unchecked);
     // cannot call pure virtual function in QtMoleculeItem's cstor
-    internal_updateState();
+    updateState(_ObservedMolecule);
   }
 
   /** Performs the update of the molecule's visibility.
    *
+   * \param _ObservedMolecule object to update state from
    */
-  void internal_updateState()
+  void updateState(const QtObservedMolecule::ptr &_ObservedMolecule)
   {}
 
   QtMoleculeItem::COLUMNTYPES getType() const
   { return QtMoleculeItem::VISIBILITY; }
+
+  /** Getter for the id of the observed molecule for this item.
+   *
+   * \return id of the observed molecule
+   */
+  const moleculeId_t getMoleculeId() const
+  { return id; }
+
+private:
+  const moleculeId_t id;
 };