Changeset 029870 for src/LinkedCell

Timestamp:

Jan 2, 2012, 1:00:05 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:

f55ae5

Parents:

402f2c

git-author:

Frederik Heber <heber@…> (12/19/11 16:17:02)

git-committer:

Frederik Heber <heber@…> (01/02/12 13:00:05)

Message:

FIX: LinkedCell and LinkedCell_Model now store _const_ TesselPoint ref in their lists and maps.

• this mainly stemmed from changing LinkedCell_Model::addNode() and is required as World's lastChanged is a const ref (and we do not need to changed the object itself anyway, we are only bookkeeping!).

Location:

src/LinkedCell

Files:

• LinkedCell.cpp (modified) (1 diff)
• LinkedCell.hpp (modified) (1 diff)
• LinkedCell_Model.cpp (modified) (1 diff)
• LinkedCell_Model.hpp (modified) (2 diffs)
• types.hpp (modified) (1 diff)
• unittests/LinkedCellUnitTest.cpp (modified) (1 diff)

src/LinkedCell/LinkedCell.cpp

@@ -55 +55 @@
  * @param point point to add
  */
-void LinkedCell::LinkedCell::addPoint(TesselPoint *point)
+void LinkedCell::LinkedCell::addPoint(const TesselPoint *point)
 {
   push_back(point);

src/LinkedCell/LinkedCell.hpp

@@ -34 +34 @@
     const LinkedCellArray::index& getIndex(const size_t index) const;
 
-    void addPoint(TesselPoint *point);
+    void addPoint(const TesselPoint *point);
     void deletePoint(const TesselPoint *point);
 

src/LinkedCell/LinkedCell_Model.cpp

@@ -269 +269 @@
  * @param Walker node to add
  */
-void LinkedCell::LinkedCell_Model::addNode(TesselPoint *&Walker)
+void LinkedCell::LinkedCell_Model::addNode(const TesselPoint *Walker)
 {
   tripleIndex index = getIndexToVector(Walker->getPosition());

src/LinkedCell/LinkedCell_Model.hpp

@@ -60 +60 @@
     void applyBoundaryConditions(tripleIndex &index) const;
 
-    void addNode(TesselPoint *&Walker);
+    void addNode(const TesselPoint *Walker);
     void deleteNode(const TesselPoint *Walker);
     void moveNode(const TesselPoint *Walker);
@@ -89 +89 @@
     typedef boost::subarray_gen<LinkedCellArray, NDIM-2>::type::iterator iterator1;
 
-    typedef std::map<TesselPoint *, LinkedCell *> MapPointToCell;
+    typedef std::map<const TesselPoint *, LinkedCell *> MapPointToCell;
 
     //!> internal shape of multi_array

src/LinkedCell/types.hpp

@@ -32 +32 @@
 
   //!> linked list of tesselpoints
-  typedef std::list<TesselPoint *> LinkedList;
+  typedef std::list<const TesselPoint *> LinkedList;
 
   //!> three-dimensional array of LinkedCell instances

src/LinkedCell/unittests/LinkedCellUnitTest.cpp

@@ -71 +71 @@
   // remove point
   LinkedCell::LinkedCell::iterator iter = cell->begin();
-  TesselPoint *OtherWalker = *iter;
+  const TesselPoint *OtherWalker = *iter;
   CPPUNIT_ASSERT(Walker == OtherWalker);
   cell->erase(iter);