Changeset 54f3d1 for src/LinkedCell/LinkedCell_Model.cpp

Timestamp:

Jan 2, 2012, 1:34:42 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:

455043

Parents:

8c31865

git-author:

Frederik Heber <heber@…> (12/21/11 10:35:41)

git-committer:

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

Message:

Removed short-wiring of updates as they are now passed through LinkedCellArrayCache.

• replaced ..._internal() calls by Changes->addUpdate(..) in LinkedCell_Model.
• added some verbosity to allow for following the chain of updates.
• new unit test function lazyUpdatesTest() in LinkedCell_ModelTest.
• TESTFIX: nodeTest() and insertPointCloudTest() needed a forced update at the right places due to the cached nature now as they access internals bypassing the automatic updates.

File:

• src/LinkedCell/LinkedCell_Model.cpp (modified) (3 diffs)

src/LinkedCell/LinkedCell_Model.cpp

@@ -282 +282 @@
 void LinkedCell::LinkedCell_Model::addNode(const TesselPoint *Walker)
 {
-  addNode_internal(Walker);
+  LOG(2, "INFO: Requesting update to add node " << *Walker << ".");
+  Changes->addUpdate(Walker, 0, boost::bind(&LinkedCell_Model::addNode_internal, this, _1));
 }
 
@@ -293 +294 @@
 void LinkedCell::LinkedCell_Model::deleteNode(const TesselPoint *Walker)
 {
-  deleteNode_internal(Walker);
+  LOG(2, "INFO: Requesting update to delete node " << *Walker << ".");
+  Changes->addUpdate(Walker, 0, boost::bind(&LinkedCell_Model::deleteNode_internal, this, _1));
 }
 
@@ -302 +304 @@
 void LinkedCell::LinkedCell_Model::moveNode(const TesselPoint *Walker)
 {
-  moveNode_internal(Walker);
+  LOG(2, "INFO: Requesting update to move node " << *Walker << " to position "
+      << Walker->getPosition() << ".");
+  Changes->addUpdate(Walker, 10, boost::bind(&LinkedCell_Model::moveNode_internal, this, _1));
 }