Changeset 05a885 for src/Atom

Timestamp:

Mar 27, 2012, 3:53:36 PM (13 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:

4824045

Parents:

46c832

git-author:

Frederik Heber <heber@…> (03/21/12 09:31:25)

git-committer:

Frederik Heber <heber@…> (03/27/12 15:53:36)

Message:

FIX: BondedParticle::addBond returns * const not const *.

• return a non-const ref such that we may modify it but prevent the use from deleting the instance.

Location:

src/Atom

Files:

• atom_bondedparticle.cpp (modified) (3 diffs)
• atom_bondedparticle.hpp (modified) (2 diffs)

src/Atom/atom_bondedparticle.cpp

@@ -96 +96 @@
  * @param _step time step to access
  * @param bonding partner
- * @return const reference to created bond or to already present bonds
- */
-const bond * BondedParticle::addBond(const unsigned int _step, BondedParticle* Partner)
+ * @return const pointer to created bond or to already present bonds
+ */
+bond * const BondedParticle::addBond(const unsigned int _step, BondedParticle* Partner)
 {
   const BondList &bondlist = getListOfBondsAtStep(_step);
@@ -144 +144 @@
  * \param *Binder bond to insert
  */
-bool BondedParticle::RegisterBond(const unsigned int _step, bond *Binder)
+bool BondedParticle::RegisterBond(const unsigned int _step, bond * const Binder)
 {
   OBSERVE;
@@ -170 +170 @@
  * \param *Binder bond to remove
  */
-bool BondedParticle::UnregisterBond(bond *Binder)
+bool BondedParticle::UnregisterBond(bond * const Binder)
 {
   OBSERVE;

src/Atom/atom_bondedparticle.hpp

@@ -37 +37 @@
   virtual ~BondedParticle();
 
-  const bond * addBond(const unsigned int _step, BondedParticle* Partner);
+  bond * const addBond(const unsigned int _step, BondedParticle* Partner);
   void removeBond(bond *binder);
   void removeAllBonds();
@@ -53 +53 @@
 
 protected:
-  bool RegisterBond(const unsigned int _step, bond *Binder);
-  bool UnregisterBond(bond *Binder);
+  bool RegisterBond(const unsigned int _step, bond * const Binder);
+  bool UnregisterBond(bond * const Binder);
   void UnregisterAllBond(const unsigned int _step);