Changeset ce81e76 for src/LinkedCell

Timestamp:

Feb 22, 2012, 11:28:52 AM (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:

5d41b3f

Parents:

5e2864

git-author:

Frederik Heber <heber@…> (01/05/12 18:30:28)

git-committer:

Frederik Heber <heber@…> (02/22/12 11:28:52)

Message:

LinkedCell_Controller now signs on to Channel WorldTime::TimeChanged.

• we need to know when WorldTime changes because then all atomic positions change. we might use some more elaborate method here but for the moment we just use the method which is also employed in case of Box::MatrixChanged.
• renamed LinkedCell_Controller::updateModelsForNewBoxMatrix() -> ::updateModels().

Location:

src/LinkedCell

Files:

• LinkedCell_Controller.cpp (modified) (6 diffs)
• LinkedCell_Controller.hpp (modified) (1 diff)
• unittests/LinkedCell_ControllerUnitTest.cpp (modified) (1 diff)
• unittests/LinkedCell_ModelUnitTest.cpp (modified) (2 diffs)
• unittests/LinkedCell_ViewUnitTest.cpp (modified) (2 diffs)
• unittests/Makefile.am (modified) (1 diff)
• unittests/stubs/WorldTimeStub.cpp (added)

src/LinkedCell/LinkedCell_Controller.cpp

@@ -32 +32 @@
 #include "LinkedCell_View_ModelWrapper.hpp"
 #include "IPointCloud.hpp"
+#include "WorldTime.hpp"
 
 
@@ -48 +49 @@
   // sign on to specific notifications
   domain.signOn(this, Box::MatrixChanged);
+  WorldTime::getInstance().signOn(this, WorldTime::TimeChanged);
 
   /// Check that upper_threshold fits within half the box.
@@ -73 +75 @@
   // sign off
   domain.signOff(this, Box::MatrixChanged);
+  WorldTime::getInstance().signOff(this, WorldTime::TimeChanged);
 
   /// we free all LinkedCell_Model instances again.
@@ -190 +193 @@
 /** Internal function to re-create all present and used models for the new Box.
  *
+ * This is necessary in the following cases:
+ * -# the Box is changed
+ * -# we step on to a different time step, i.e. all atomic positions change
+ *
  * The main problem are the views currently in use.
  *
@@ -198 +205 @@
  *
  */
-void LinkedCell_Controller::updateModelsForNewBoxMatrix()
+void LinkedCell_Controller::updateModels()
 {
   LOG(1, "INFO: Updating all models.");
@@ -306 +313 @@
 void LinkedCell_Controller::recieveNotification(Observable *publisher, Notification_ptr notification)
 {
-  switch(notification->getChannelNo()) {
-    case Box::MatrixChanged:
-      updateModelsForNewBoxMatrix();
-      break;
-    default:
-      ASSERT(0,
-          "LinkedCell_Controller::recieveNotification() - unwanted notification "
-          +toString(notification->getChannelNo())+" received.");
-      break;
+  if (publisher == &domain) {
+    switch(notification->getChannelNo()) {
+      case Box::MatrixChanged:
+        LOG(1, "INFO: LinkedCell_Controller got update from Box.");
+        updateModels();
+        break;
+      default:
+        ASSERT(0,
+            "LinkedCell_Controller::recieveNotification() - unwanted notification from Box "
+            +toString(notification->getChannelNo())+" received.");
+        break;
+    }
+  } else if (publisher == WorldTime::getPointer()) {
+    switch(notification->getChannelNo()) {
+      case WorldTime::TimeChanged:
+        LOG(1, "INFO: LinkedCell_Controller got update from WorldTime.");
+        updateModels();
+        break;
+      default:
+        ASSERT(0,
+            "LinkedCell_Controller::recieveNotification() - unwanted notification from WorldTime "
+            +toString(notification->getChannelNo())+" received.");
+        break;
+    }
+  } else {
+    ELOG(1, "Notification " << notification->getChannelNo()
+        << " from unknown publisher " << publisher << ".");
   }
 }

src/LinkedCell/LinkedCell_Controller.hpp

@@ -59 +59 @@
     const range<double> getHeuristicRange(const double distance) const;
     void insertNewModel(const double edgelength, const LinkedCell_Model* instance);
-    void updateModelsForNewBoxMatrix();
+    void updateModels();
 
   private:

src/LinkedCell/unittests/LinkedCell_ControllerUnitTest.cpp

@@ -259 +259 @@
 }
 
-/** UnitTest for LinkedCell_Controller::updateModelsForNewBoxMatrix().
+/** UnitTest for LinkedCell_Controller::updateModels().
  */
 void LinkedCell_ControllerTest::updateBoxTest()

src/LinkedCell/unittests/LinkedCell_ModelUnitTest.cpp

@@ -37 +37 @@
 #include "LinkedCell/PointCloudAdaptor.hpp"
 #include "LinkedCell/unittests/defs.hpp"
+#include "World.hpp"
+#include "WorldTime.hpp"
 
 #include "LinkedCell_ModelUnitTest.hpp"
@@ -93 +95 @@
     NodeList.erase(iter);
   }
+
+  // delete in correct order
+  World::purgeInstance();
+  WorldTime::purgeInstance();
 }
 

src/LinkedCell/unittests/LinkedCell_ViewUnitTest.cpp

@@ -37 +37 @@
 #include "LinkedCell/PointCloudAdaptor.hpp"
 #include "LinkedCell/unittests/defs.hpp"
+#include "World.hpp"
+#include "WorldTime.hpp"
 
 #include "LinkedCell_ViewUnitTest.hpp"
@@ -98 +100 @@
     NodeList.erase(iter);
   }
+
+  // delete in correct order
+  World::purgeInstance();
+  WorldTime::purgeInstance();
 }
 

src/LinkedCell/unittests/Makefile.am

@@ -58 +58 @@
         ../LinkedCell/unittests/stubs/TesselPointStub.cpp \
         ../LinkedCell/unittests/stubs/WorldStub.cpp \
+        ../LinkedCell/unittests/stubs/WorldTimeStub.cpp \
         ../LinkedCell/PointCloudAdaptor.hpp \
         ../Box_BoundaryConditions.cpp \