Changeset f10b0c for src/Actions/FillAction/FillRegularGridAction.cpp

Timestamp:

Jun 11, 2012, 9:53:19 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:

95f965

Parents:

b9c69d

git-author:

Michael Ankele <ankele@…> (04/24/12 13:55:16)

git-committer:

Frederik Heber <heber@…> (06/11/12 09:53:19)

Message:

disastrously big and ugly commit

• using new Parameter<T> classes:
  • Actions
  • Queries (all UIs)

• TODO:
  • actions crash cause Value is unset
  • no query<BoxVector>

File:

• src/Actions/FillAction/FillRegularGridAction.cpp (modified) (4 diffs)

src/Actions/FillAction/FillRegularGridAction.cpp

@@ -82 +82 @@
   LinkedCell_deprecated * LC = NULL;
   Tesselation * TesselStruct = NULL;
-  if (params.SphereRadius != 0.) {
+  if (params.SphereRadius.get() != 0.) {
     if ( atoms.size() == 0) {
-      ELOG(1, "You have given a sphere radius " << params.SphereRadius
+      ELOG(1, "You have given a sphere radius " << params.SphereRadius.get()
           << " != 0, but have not select any molecules.");
       return Action::failure;
@@ -92 +92 @@
 
     // create tesselation
-    LC = new LinkedCell_deprecated(cloud, 2.*params.SphereRadius);
+    LC = new LinkedCell_deprecated(cloud, 2.*params.SphereRadius.get());
     TesselStruct = new Tesselation;
-    (*TesselStruct)(cloud, params.SphereRadius);
+    (*TesselStruct)(cloud, params.SphereRadius.get());
 
     // and create predicate
@@ -106 +106 @@
     FillPredicate *voidnode_predicate = new FillPredicate(
         IsVoidNode_FillPredicate(
-            Sphere(zeroVec, params.mindistance)
+            Sphere(zeroVec, params.mindistance.get())
             )
         );
@@ -112 +112 @@
     if (surface_predicate != NULL)
       Andpredicate = (Andpredicate) && !(*surface_predicate);
-    Mesh *mesh = new CubeMesh(params.counts, params.offset, World::getInstance().getDomain().getM());
+    Mesh *mesh = new CubeMesh(params.counts.get(), params.offset.get(), World::getInstance().getDomain().getM());
     Inserter *inserter = new Inserter(
         Inserter::impl_ptr(
             new RandomInserter(
-                params.RandAtomDisplacement,
-                params.RandMoleculeDisplacement,
-                params.DoRotate)
+                params.RandAtomDisplacement.get(),
+                params.RandMoleculeDisplacement.get(),
+                params.DoRotate.get())
             )
         );