Changeset e776dc for src/LinkedCell

Timestamp:

Jan 2, 2012, 1:34:42 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:

8c31865

Parents:

cf6530

git-author:

Frederik Heber <heber@…> (12/20/11 11:50:48)

git-committer:

Frederik Heber <heber@…> (01/02/12 13:34:42)

Message:

Added internal classes Update and changeModel to LinkedCell_Model.

• this are not yet used.
• Update contains a single update operation associated to a node.
• changeModel contains a map of all due updates.

Location:

src/LinkedCell

Files:

• LinkedCell_Model.cpp (modified) (6 diffs)
• LinkedCell_Model.hpp (modified) (2 diffs)
• LinkedCell_Model_Update.cpp (added)
• LinkedCell_Model_Update.hpp (added)
• LinkedCell_Model_changeModel.cpp (added)
• LinkedCell_Model_changeModel.hpp (added)
• Makefile.am (modified) (2 diffs)

src/LinkedCell/LinkedCell_Model.cpp

@@ -23 +23 @@
 
 #include <algorithm>
+#include <boost/bind.hpp>
 #include <boost/multi_array.hpp>
 #include <limits>
@@ -39 +40 @@
 #include "LinkedCell/IPointCloud.hpp"
 #include "LinkedCell/LinkedCell.hpp"
+#include "LinkedCell/LinkedCell_Model_changeModel.hpp"
 #include "World.hpp"
 
@@ -46 +48 @@
 LinkedCell::tripleIndex LinkedCell::LinkedCell_Model::NearestNeighbors;
 
+
 /** Constructor of LinkedCell_Model.
  *
@@ -53 +56 @@
 LinkedCell::LinkedCell_Model::LinkedCell_Model(const double radius, const Box &_domain) :
     ::Observer(std::string("LinkedCell_Model")+std::string("_")+toString(radius)),
+    Changes( new changeModel(radius) ),
     internal_Sizes(NULL),
     domain(_domain)
@@ -77 +81 @@
 LinkedCell::LinkedCell_Model::LinkedCell_Model(IPointCloud &set, const double radius, const Box &_domain) :
     ::Observer(std::string("LinkedCell_Model")+std::string("_")+toString(radius)),
+    Changes( new changeModel(radius) ),
     internal_Sizes(NULL),
     domain(_domain)
@@ -102 +107 @@
   stopListening();
 
+  // delete change queue
+  delete Changes;
+
   // reset linked cell structure
   Reset();
+
 }
 

src/LinkedCell/LinkedCell_Model.hpp

@@ -17 +17 @@
 #include <map>
 
+#include "CodePatterns/Observer/Observable.hpp"
 #include "CodePatterns/Observer/Observer.hpp"
 #include "LinearAlgebra/defs.hpp"
@@ -85 +86 @@
     void stopListening();
 
+    // forward declaration for external Update class, containing update ops.
+    class Update;
+    // forward declaration for external changeModel class, containing change queue.
+    class changeModel;
+    //!> changeModel instance that contains a queue(map) with all changes to do.
+    changeModel *Changes;
+
     void addNode_internal(const TesselPoint *Walker);
     void deleteNode_internal(const TesselPoint *Walker);

src/LinkedCell/Makefile.am

@@ -7 +7 @@
   LinkedCell/LinkedCell_Controller.cpp \
   LinkedCell/LinkedCell_Model.cpp \
+  LinkedCell/LinkedCell_Model_changeModel.cpp \
+  LinkedCell/LinkedCell_Model_Update.cpp \
   LinkedCell/LinkedCell_View.cpp \
   LinkedCell/tripleIndex.cpp
@@ -16 +18 @@
   LinkedCell/LinkedCell_Controller.hpp \
   LinkedCell/LinkedCell_Model.hpp \
+  LinkedCell/LinkedCell_Model_changeModel.hpp \
+  LinkedCell/LinkedCell_Model_inline.hpp \
+  LinkedCell/LinkedCell_Model_Update.hpp \
   LinkedCell/LinkedCell_View.hpp \
   LinkedCell/PointCloudAdaptor.hpp \