Changeset 3b9aa1

Timestamp:

Feb 14, 2016, 12:33:41 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:

cf9287

Parents:

367489

git-author:

Frederik Heber <heber@…> (10/30/15 11:54:29)

git-committer:

Frederik Heber <heber@…> (02/14/16 12:33:41)

Message:

FIX: All ObservedValue getters now return const references.

• this should avoid some unnecessary copying.

Location:

src/UIElements

Files:

• Qt4/InstanceBoard/QtObservedAtom.cpp (modified) (1 diff)
• Qt4/InstanceBoard/QtObservedAtom.hpp (modified) (6 diffs)
• Qt4/InstanceBoard/QtObservedMolecule.cpp (modified) (1 diff)
• Qt4/InstanceBoard/QtObservedMolecule.hpp (modified) (8 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp (modified) (7 diffs)

src/UIElements/Qt4/InstanceBoard/QtObservedAtom.cpp

@@ -365 +365 @@
 }
 
-atomId_t QtObservedAtom::getAtomIndex() const
+const atomId_t& QtObservedAtom::getAtomIndex() const
 {
   return boost::any_cast<ObservedValue_wCallback<atomId_t> *>(ObservedValues[AtomIndex])->get();
 }
 
-QtObservedAtom::ListOfBonds_t QtObservedAtom::getAtomBonds() const
+const QtObservedAtom::ListOfBonds_t& QtObservedAtom::getAtomBonds() const
 {
   return boost::any_cast<ObservedValue_wCallback<ListOfBonds_t, atomId_t> *>(ObservedValues[AtomBonds])->get();
 }
 
-atomicNumber_t QtObservedAtom::getAtomElement() const
+const atomicNumber_t& QtObservedAtom::getAtomElement() const
 {
   return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, atomId_t> *>(ObservedValues[AtomElement])->get();
 }
 
-moleculeId_t QtObservedAtom::getAtomMoleculeIndex() const
+const moleculeId_t& QtObservedAtom::getAtomMoleculeIndex() const
 {
   return boost::any_cast<ObservedValue_wCallback<moleculeId_t, atomId_t> *>(ObservedValues[AtomMoleculeIndex])->get();
 }
 
-std::string QtObservedAtom::getAtomName() const
+const std::string& QtObservedAtom::getAtomName() const
 {
   return boost::any_cast<ObservedValue_wCallback<std::string, atomId_t> *>(ObservedValues[AtomName])->get();
 }
 
-Vector QtObservedAtom::getAtomPosition() const
+const Vector& QtObservedAtom::getAtomPosition() const
 {
   return boost::any_cast<ObservedValue_wCallback<Vector, atomId_t> *>(ObservedValues[AtomPosition])->get();

src/UIElements/Qt4/InstanceBoard/QtObservedAtom.hpp

@@ -87 +87 @@
    * \return atom's index
    */
-  atomId_t getAtomIndex() const;
+  const atomId_t& getAtomIndex() const;
 
   //!> typedef for list of bonds, defined by pairs of atom ids
@@ -96 +96 @@
    * \return atom's bonds
    */
-  ListOfBonds_t getAtomBonds() const;
+  const ListOfBonds_t& getAtomBonds() const;
 
   /** Getter to atom element contained in \a ObservedValues.
@@ -102 +102 @@
    * \return atom's element
    */
-  atomicNumber_t getAtomElement() const;
+  const atomicNumber_t& getAtomElement() const;
 
   /** Getter to atom name contained in \a ObservedValues.
@@ -108 +108 @@
    * \return atom's name
    */
-  std::string getAtomName() const;
+  const std::string& getAtomName() const;
 
   /** Getter to atom position contained in \a ObservedValues.
@@ -114 +114 @@
    * \return atom's position
    */
-  Vector getAtomPosition() const;
+  const Vector& getAtomPosition() const;
 
   /** Getter to atom's molecule index contained in \a ObservedValues.
@@ -120 +120 @@
    * \return atom's molecule index
    */
-  moleculeId_t getAtomMoleculeIndex() const;
+  const moleculeId_t& getAtomMoleculeIndex() const;
 
 signals:

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.cpp

@@ -459 +459 @@
 }
 
-int QtObservedMolecule::getAtomCount() const
+const int& QtObservedMolecule::getAtomCount() const
 {
   return boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(ObservedValues[AtomCount])->get();
 }
 
-int QtObservedMolecule::getBondCount() const
+const int& QtObservedMolecule::getBondCount() const
 {
   return boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(ObservedValues[BondCount])->get();
 }
 
-std::string QtObservedMolecule::getMolFormula() const
+const std::string& QtObservedMolecule::getMolFormula() const
 {
   return boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(ObservedValues[FormulaString])->get();
 }
 
-Vector QtObservedMolecule::getMolCenter() const
+const Vector& QtObservedMolecule::getMolCenter() const
 {
   return boost::any_cast<ObservedValue_wCallback<Vector, moleculeId_t> *>(ObservedValues[MolCenter])->get();
 }
 
-moleculeId_t QtObservedMolecule::getMolIndex() const
+const moleculeId_t& QtObservedMolecule::getMolIndex() const
 {
   return boost::any_cast<ObservedValue_wCallback<moleculeId_t> *>(ObservedValues[MolIndex])->get();
 }
 
-std::string QtObservedMolecule::getMolName() const
+const std::string& QtObservedMolecule::getMolName() const
 {
   return boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(ObservedValues[MolName])->get();
 }
 
-int QtObservedMolecule::getNonHydrogenCount() const
+const int& QtObservedMolecule::getNonHydrogenCount() const
 {
   return boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(ObservedValues[NonHydrogenCount])->get();
 }
 
-molecule::BoundingBoxInfo QtObservedMolecule::getBoundingBox() const
+const molecule::BoundingBoxInfo& QtObservedMolecule::getBoundingBox() const
 {
   return boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t> *>(ObservedValues[BoundingBox])->get();

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp

@@ -84 +84 @@
    * \return molecule's atom count
    */
-  int getAtomCount() const;
+  const int& getAtomCount() const;
 
   /** Getter to molecule bond count contained in \a ObservedValues.
@@ -90 +90 @@
    * \return molecule's bond count
    */
-  int getBondCount() const;
+  const int& getBondCount() const;
 
   /** Getter to molecule center contained in \a ObservedValues.
@@ -96 +96 @@
    * \return molecule's center
    */
-  Vector getMolCenter() const;
+  const Vector& getMolCenter() const;
 
   /** Getter to molecule index contained in \a ObservedValues.
@@ -102 +102 @@
    * \return molecule's index
    */
-  moleculeId_t getMolIndex() const;
+  const moleculeId_t& getMolIndex() const;
 
   /** Getter to molecule name contained in \a ObservedValues.
@@ -108 +108 @@
    * \return molecule's name
    */
-  std::string getMolName() const;
+  const std::string& getMolName() const;
 
   /** Getter to molecule formula contained in \a ObservedValues.
@@ -114 +114 @@
    * \return molecule's formula
    */
-  std::string getMolFormula() const;
+  const std::string& getMolFormula() const;
 
   /** Getter to molecule non-hydrogen atom  count contained in \a ObservedValues.
@@ -120 +120 @@
    * \return molecule's non-hydrogen atom count
    */
-  int getNonHydrogenCount() const;
+  const int& getNonHydrogenCount() const;
 
   /** Getter to molecule's bounding box contained in \a ObservedValues.
@@ -126 +126 @@
    * \return molecule's bounding box
    */
-  molecule::BoundingBoxInfo getBoundingBox() const;
+  const molecule::BoundingBoxInfo& getBoundingBox() const;
 
   static const molecule * const getMolecule(const moleculeId_t _id);

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

@@ -526 +526 @@
 }
 
-atomId_t GLMoleculeObject_bond::getleftIndex() const
+const atomId_t& GLMoleculeObject_bond::getleftIndex() const
 {
   return boost::any_cast<ObservedValue_wCallback<atomId_t> *>(ObservedValues[leftIndex])->get();
 }
 
-atomId_t GLMoleculeObject_bond::getrightIndex() const
+const atomId_t& GLMoleculeObject_bond::getrightIndex() const
 {
   return boost::any_cast<ObservedValue_wCallback<atomId_t> *>(ObservedValues[rightIndex])->get();
 }
 
-Vector GLMoleculeObject_bond::getleftPosition() const
+const Vector& GLMoleculeObject_bond::getleftPosition() const
 {
   return boost::any_cast<ObservedValue_wCallback<Vector,atomId_t> *>(ObservedValues[leftPosition])->get();
 }
 
-Vector GLMoleculeObject_bond::getrightPosition() const
+const Vector& GLMoleculeObject_bond::getrightPosition() const
 {
   return boost::any_cast<ObservedValue_wCallback<Vector, atomId_t> *>(ObservedValues[rightPosition])->get();
 }
 
-atomicNumber_t GLMoleculeObject_bond::getleftElement() const
+const atomicNumber_t& GLMoleculeObject_bond::getleftElement() const
 {
   return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, atomId_t> *>(ObservedValues[leftElement])->get();
 }
 
-atomicNumber_t GLMoleculeObject_bond::getrightElement() const
+const atomicNumber_t& GLMoleculeObject_bond::getrightElement() const
 {
   return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, atomId_t> *>(ObservedValues[rightElement])->get();
 }
 
-int GLMoleculeObject_bond::getDegree() const
+const int& GLMoleculeObject_bond::getDegree() const
 {
   return boost::any_cast<ObservedValue_wCallback<int, bondIds_t> *>(ObservedValues[Degree])->get();

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

@@ -177 +177 @@
    * \return left atom's id
    */
-  atomId_t getleftIndex() const;
+  const atomId_t& getleftIndex() const;
 
   /** Getter to right atom's id contained in \a ObservedValues.
@@ -183 +183 @@
    * \return right atom's id
    */
-  atomId_t getrightIndex() const;
+  const atomId_t& getrightIndex() const;
 
   /** Getter to left atom's position contained in \a ObservedValues.
@@ -189 +189 @@
    * \return left atom's position
    */
-  Vector getleftPosition() const;
+  const Vector& getleftPosition() const;
 
   /** Getter to right atom's position contained in \a ObservedValues.
@@ -195 +195 @@
    * \return right atom's position
    */
-  Vector getrightPosition() const;
+  const Vector& getrightPosition() const;
 
   /** Getter to left atom's element contained in \a ObservedValues.
@@ -201 +201 @@
    * \return left atom's element
    */
-  atomicNumber_t getleftElement() const;
+  const atomicNumber_t& getleftElement() const;
 
   /** Getter to rightatom's element contained in \a ObservedValues.
@@ -207 +207 @@
    * \return right atom's element
    */
-  atomicNumber_t getrightElement() const;
+  const atomicNumber_t& getrightElement() const;
 
   /** Getter to bond's degree contained in \a ObservedValues.
@@ -213 +213 @@
    * \return bond's degree
    */
-  int getDegree() const;
+  const int& getDegree() const;
 
   /** Counts how many ObservedValues got subjectKilled.