Changeset fe8253 for src/LinkedCell/LinkedCell_Controller.hpp

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:

2614e2a

Parents:

9a5649

git-author:

Frederik Heber <heber@…> (11/30/11 10:26:35)

git-committer:

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

Message:

Added first reasonable heuristic, and added required implementation for Controller.

• LinkedCell_Controller::getBestModel() nows contains some more advanced heuristics.
• extended unit test on all of the added parts.

File:

• src/LinkedCell/LinkedCell_Controller.hpp (modified) (5 diffs)

src/LinkedCell/LinkedCell_Controller.hpp

@@ -16 +16 @@
 #include <map>
 
+#include "CodePatterns/Range.hpp"
 #include "LinkedCell/LinkedCell_View.hpp"
+
+class LinkedCell_ControllerTest;
 
 namespace LinkedCell {
@@ -30 +33 @@
    * low computational complexity.
    *
-   * Here, it contains multiple LinkedCell_Model instances, each with different
-   * edge lengths of the inherent mesh. You request a LinkedCell instance from
-   * the controller, but you basically just receive a const interface reference
+   * Here, it contains multiple LinkedCell models, each with different edge
+   * lengths of the inherent mesh. You request a LinkedCell instance from the
+   * controller, but you basically just receive a const interface reference
    * to a present LinkedCell instance.
    *
@@ -38 +41 @@
   class LinkedCell_Controller
   {
+    //!> grant unit tests access to internal parts
+    friend class ::LinkedCell_ControllerTest;
   public:
     LinkedCell_Controller(const Box &_domain);
@@ -46 +51 @@
   private:
     const LinkedCell_Model * getBestModel(const double distance) const;
+    const range<double> getHeuristicRange(const double distance) const;
+    void insertNewModel(const double edgelength, LinkedCell_Model*& instance);
 
   private:
@@ -54 +61 @@
     MapEdgelengthModel ModelsMap;
 
+    //!> lower threshold below which no new instances are generated.
+    static double lower_threshold;
+
+    //!> upper threshold above which no new instances are generated.
+    static double upper_threshold;
+
     //!> internal reference to domain required for constructing LinkedCell_Model instances.
     const Box &domain;