Changeset db8960 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:

a5b2b6b

Parents:

bbab87

git-author:

Frederik Heber <heber@…> (12/20/11 10:25:43)

git-committer:

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

Message:

Shifted functionality of adding, moving, and deleting nodes to internal functions.

• internal functions are so far short-wired to outside.
• this is preparatory for caching changes (lazy evaluation).

Location:

src/LinkedCell

Files:

• LinkedCell_Model.cpp (modified) (4 diffs)
• LinkedCell_Model.hpp (modified) (1 diff)

src/LinkedCell/LinkedCell_Model.cpp

@@ -266 +266 @@
 }
 
-/** Adds a node to the linked cell structure
+/** Adds an update to the list of lazy changes to add a node.
  *
  * @param Walker node to add
  */
 void LinkedCell::LinkedCell_Model::addNode(const TesselPoint *Walker)
+{
+  addNode_internal(Walker);
+}
+
+/** Adds an update to the list of lazy changes to add remove a node.
+ *
+ * We do nothing of Walker is not found
+ *
+ * @param Walker node to remove
+ */
+void LinkedCell::LinkedCell_Model::deleteNode(const TesselPoint *Walker)
+{
+  deleteNode_internal(Walker);
+}
+
+/** Adds an update to the list of lazy changes to move a node.
+ *
+ * @param Walker node who has moved.
+ */
+void LinkedCell::LinkedCell_Model::moveNode(const TesselPoint *Walker)
+{
+  moveNode_internal(Walker);
+}
+
+/** Internal function to add a node to the linked cell structure
+ *
+ * @param Walker node to add
+ */
+void LinkedCell::LinkedCell_Model::addNode_internal(const TesselPoint *Walker)
 {
   tripleIndex index = getIndexToVector(Walker->getPosition());
@@ -288 +317 @@
 }
 
-/** Removes a node to the linked cell structure
+/** Internal function to remove a node to the linked cell structure
  *
  * We do nothing of Walker is not found
@@ -294 +323 @@
  * @param Walker node to remove
  */
-void LinkedCell::LinkedCell_Model::deleteNode(const TesselPoint *Walker)
+void LinkedCell::LinkedCell_Model::deleteNode_internal(const TesselPoint *Walker)
 {
   MapPointToCell::iterator iter = CellLookup.begin();
@@ -308 +337 @@
 }
 
-/** Move Walker from current cell to another on position change.
+/** Internal function to move node from current cell to another on position change.
  *
  * @param Walker node who has moved.
  */
-void LinkedCell::LinkedCell_Model::moveNode(const TesselPoint *Walker)
+void LinkedCell::LinkedCell_Model::moveNode_internal(const TesselPoint *Walker)
 {
   ASSERT(0, "LinkedCell_Model::moveNode() - not implemented yet.");

src/LinkedCell/LinkedCell_Model.hpp

@@ -85 +85 @@
     void stopListening();
 
+    void addNode_internal(const TesselPoint *Walker);
+    void deleteNode_internal(const TesselPoint *Walker);
+    void moveNode_internal(const TesselPoint *Walker);
+
     LinkedCellArray::index getSize(const size_t dim) const;