Changeset cbdcb1 for src/LinkedCell/LinkedCell_Controller.cpp

Timestamp:

Jan 2, 2012, 1:34:58 PM (14 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, Candidate_v1.7.0, 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_Controller.cpp (modified) (8 diffs)

src/LinkedCell/LinkedCell_Controller.cpp

@@ -30 +30 @@
 #include "LinkedCell_Model.hpp"
 #include "LinkedCell_View.hpp"
+#include "LinkedCell_View_ModelWrapper.hpp"
 #include "IPointCloud.hpp"
 
@@ -184 +185 @@
  *
  * The main problem are the views currently in use.
+ *
  * We make use of LinkedCell:LinkedCell_View::RAIIMap as there all present are
  * listed. We go through the list, create a map with old model ref as keys to
@@ -192 +194 @@
 void LinkedCell_Controller::updateModelsForNewBoxMatrix()
 {
+  LOG(1, "INFO: Updating all models.");
+
   typedef std::map<const LinkedCell_Model *, LinkedCell_Model *>  ModelLookup;
   ModelLookup models;
@@ -201 +205 @@
     std::pair< ModelLookup::iterator, bool > inserter =
 #endif
-        models.insert( std::pair<const LinkedCell_Model *, LinkedCell_Model *>( &((*iter)->LC), NULL) );
+        models.insert( std::pair<const LinkedCell_Model *, LinkedCell_Model *>( (*iter)->LC->getModel(), NULL) );
+    LOG(2, "INFO: Added " << (*iter)->LC->getModel() << " to list of models to replace.");
     ASSERT( inserter.second,
         "LinkedCell_Controller::updateModelsForNewBoxMatrix() - failed to insert old model "
-        +toString( &((*iter)->LC))+","+toString(NULL)+" into models, is already present");
+        +toString( (*iter)->LC->getModel() )+","+toString(NULL)+" into models, is already present");
   }
 
   // invert MapEdgelengthModel
+  LOG(2, "INFO: ModelsMap is " << ModelsMap << ".");
   typedef std::map<const LinkedCell_Model*, double > MapEdgelengthModel_inverted;
   MapEdgelengthModel_inverted ModelsMap_inverted;
@@ -214 +220 @@
 #ifndef NDEBUG
     MapEdgelengthModel_inverted::const_iterator assertiter = ModelsMap_inverted.find(iter->second);
-    ASSERT( assertiter != ModelsMap_inverted.end(),
+    ASSERT( assertiter == ModelsMap_inverted.end(),
         "LinkedCell_Controller::updateModelsForNewBoxMatrix() - ModelsMap is not invertible, value "
         +toString(iter->second)+" is already present.");
@@ -220 +226 @@
     ModelsMap_inverted.insert( std::make_pair(iter->second, iter->first) );
   }
+  LOG(2, "INFO: Inverted ModelsMap is " << ModelsMap_inverted << ".");
 
   // go through map and re-create models
@@ -232 +239 @@
 #endif
     const double distance = ModelsMap_inverted[oldref];
+    // create new one
+    LinkedCell_Model * const newref = new LinkedCell_Model(distance, domain);
+    // delete old one (this way to make sure, unit test notices different pointer addresses)
     delete oldref;
     ModelsMap.erase(distance);
-    // create new one
-    LinkedCell_Model * const newref = new LinkedCell_Model(distance, domain);
+    LOG(2, "INFO: oldref is " << oldref << ", newref is " << newref << ".");
     iter->second = newref;
     // replace in ModelsMap
@@ -253 +262 @@
   for (LinkedCell_View::ModelInstanceMap::const_iterator iter = LinkedCell_View::RAIIMap.begin();
       iter != LinkedCell_View::RAIIMap.end(); ++iter) {
-    ModelLookup::const_iterator modeliter = models.find(&((*iter)->LC));
+    ModelLookup::const_iterator modeliter = models.find((*iter)->LC->getModel());
     ASSERT( modeliter != models.end(),
         "LinkedCell_Controller::updateModelsForNewBoxMatrix() - we miss a model "
-        +toString(&((*iter)->LC))+" in ModelLookup.");
+        +toString((*iter)->LC->getModel())+" in ModelLookup.");
     // this is ugly but the only place where we have to set ourselves over the constness of the member variable
-    //if (modeliter != models.end())
-      //const_cast<LinkedCell_Model &>((*iter)->LC) = *modeliter->second;
+    if (modeliter != models.end()) {
+      LOG(2, "INFO: Setting model to " << modeliter->second << " in view " << *iter << ".");
+      (*iter)->LC->setModel(modeliter->second);
+    }
   }
 }