Changeset c80643 for src/LinkedCell/LinkedCell_Controller.cpp

Timestamp:

Jan 2, 2012, 1:34:29 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:

53d894

Parents:

4459fc

git-author:

Frederik Heber <heber@…> (12/19/11 21:49:53)

git-committer:

Frederik Heber <heber@…> (01/02/12 13:34:29)

Message:

LinkedCell_Controller::getView() now needs a PointCloud set.

• this will allow the World to initialise new LinkedCell_Model, which at the very start first need to know about all presents atoms in the World.

File:

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

src/LinkedCell/LinkedCell_Controller.cpp

@@ -26 +26 @@
 #include "LinkedCell_Model.hpp"
 #include "LinkedCell_View.hpp"
+#include "IPointCloud.hpp"
 
 
@@ -153 +154 @@
  *
  * @param distance edge length of the requested linked cell structure
+ * @param set of initial points to insert when new model is created (not always), should be World's
  * @return LinkedCell_View wrapping the best LinkedCell_Model
  */
-LinkedCell_View LinkedCell_Controller::getView(const double distance)
+LinkedCell_View LinkedCell_Controller::getView(const double distance, IPointCloud &set)
 {
   /// Look for best instance.
@@ -163 +165 @@
   if (LCModel_best == NULL) {
     LinkedCell_Model *LCModel_new = new LinkedCell_Model(distance, domain);
+    LCModel_new->insertPointCloud(set);
     insertNewModel(distance, LCModel_new);
     LinkedCell_View view(const_cast<const LinkedCell_Model &>(*LCModel_new));