Changeset a5b2b6b for src/LinkedCell

Timestamp:

Jan 2, 2012, 1:34:41 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:

cf6530

Parents:

db8960

git-author:

Frederik Heber <heber@…> (12/20/11 10:39:44)

git-committer:

Frederik Heber <heber@…> (01/02/12 13:34:41)

Message:

Simplified LinkedCell_Model::deleteNode_internal().

• this is possbile due to making argument of update function always const.

File:

• src/LinkedCell/LinkedCell_Model.cpp (modified) (3 diffs)

src/LinkedCell/LinkedCell_Model.cpp

@@ -301 +301 @@
 void LinkedCell::LinkedCell_Model::addNode_internal(const TesselPoint *Walker)
 {
+  // find index
   tripleIndex index = getIndexToVector(Walker->getPosition());
   LOG(2, "INFO: " << *Walker << " goes into cell " << index[0] << ", " << index[1] << ", " << index[2] << ".");
@@ -307 +308 @@
       << N(index)->getIndex(1) << " "
       << N(index)->getIndex(2) << ".");
+  // add to cell
   N(index)->addPoint(Walker);
+  // add to index with check for presence
   std::pair<MapPointToCell::iterator, bool> inserter = CellLookup.insert( std::make_pair(Walker, N(index)) );
   ASSERT( inserter.second,
@@ -325 +328 @@
 void LinkedCell::LinkedCell_Model::deleteNode_internal(const TesselPoint *Walker)
 {
-  MapPointToCell::iterator iter = CellLookup.begin();
-  for (; iter != CellLookup.end(); ++iter)
-    if (iter->first == Walker)
-      break;
+  MapPointToCell::iterator iter = CellLookup.find(Walker);
   ASSERT(iter != CellLookup.end(),
       "LinkedCell_Model::deleteNode() - Walker not present in cell stored under CellLookup.");