Changeset cbdcb1 for src/LinkedCell/LinkedCell_View.cpp

Timestamp:

Jan 2, 2012, 1:34:58 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:

b1c5ddb

Parents:

4a8169

git-author:

Frederik Heber <heber@…> (12/22/11 08:59:40)

git-committer:

Frederik Heber <heber@…> (01/02/12 13:34:58)

Message:

Added LinkedCell_View_ModelWrapper to safely keep LinkedCell_Model out of _Views' grasp.

• This is the only way to keep _View away from its own pointer without declaring it "const" which prevents _Controller from re-instantiating the model after the Box has changed.
• Added logging to LinkedCell_Controller::updateModelsForNewBoxMatrix().
• Switched order of delete/create in updateModelsForNewBoxMatrix(). This is necessary such that newref is not created on top of oldref and hence unit test may fail.

File:

• src/LinkedCell/LinkedCell_View.cpp (modified) (6 diffs)

src/LinkedCell/LinkedCell_View.cpp

@@ -31 +31 @@
 #include "LinkedCell.hpp"
 #include "LinkedCell_Model.hpp"
+#include "LinkedCell_View_ModelWrapper.hpp"
 #include "tripleIndex.hpp"
 
@@ -43 +44 @@
  */
 LinkedCell_View::LinkedCell_View(const LinkedCell_Model &_LC) :
-    LC(_LC)
+    LC( new LinkedCell_View_ModelWrapper(&_LC) )
 {
   // add us to RAII counting map
@@ -60 +61 @@
  */
 LinkedCell_View::LinkedCell_View(const LinkedCell_View &_view) :
-    LC(_view.LC)
+    LC( new LinkedCell_View_ModelWrapper(_view.LC->getModel()) )
 {
   if (this != &_view) {
@@ -90 +91 @@
     ELOG(1, "Failed to remove instance "+toString(this)+" from RAIIMap.");
   }
+  delete LC;
 }
 
@@ -104 +106 @@
   LinkedList TesselList;  // we do not need a set, as nodes are uniquely associated to a cell.
 
+  const LinkedCell_Model * const LCmodel = LC->getModel();  // get quick ref to model
   // get relative bounds
-  const tripleIndex step = LC.getStep(radius);
-  const tripleIndex index = LC.getIndexToVector(center);
+  const tripleIndex step = LCmodel->getStep(radius);
+  const tripleIndex index = LCmodel->getIndexToVector(center);
   LinkedCell_Model::LinkedCellNeighborhoodBounds neighbors =
-      LC.getNeighborhoodBounds(index, step);
+      LCmodel->getNeighborhoodBounds(index, step);
 
   tripleIndex n;
@@ -115 +118 @@
       for (n[2] = 0; n[2] < neighbors.second[2]; n[2]++) {
         tripleIndex absolute_n = neighbors.first + n;
-        if (!LC.checkArrayBounds(absolute_n))
-          LC.applyBoundaryConditions(absolute_n);
-        const LinkedCell &List = LC.getCell(absolute_n);
+        if (!LCmodel->checkArrayBounds(absolute_n))
+          LCmodel->applyBoundaryConditions(absolute_n);
+        const LinkedCell &List = LCmodel->getCell(absolute_n);
         LOG(1, "Current cell is " << neighbors.first << " plus " << n << ", yielding " << absolute_n << ".");
         for (LinkedCell::const_iterator Runner = List.begin(); Runner != List.end(); Runner++)