Changeset 060c7d for src


Ignore:
Timestamp:
Nov 16, 2012, 11:10:26 AM (12 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:
842aac
Parents:
ff9e5a
git-author:
Michael Ankele <ankele@…> (10/01/12 13:59:16)
git-committer:
Frederik Heber <heber@…> (11/16/12 11:10:26)
Message:

Refactoring: NotAllAtomsInsideVolumeAction uses ShapeRegistry

File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp

    rff9e5a r060c7d  
    4141#include "CodePatterns/Verbose.hpp"
    4242#include "LinearAlgebra/Vector.hpp"
    43 #include "Shapes/ShapeFactory.hpp"
     43#include "Shapes/ShapeRegistry.hpp"
    4444#include "World.hpp"
    4545
     
    5858Action::state_ptr SelectionNotAllAtomsInsideVolumeAction::performCall() {
    5959  LOG(1, "Unselecting all atoms inside a volume.");
    60   Shape s = ShapeFactory::getInstance().produce();
    61   std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms((!AtomsBySelection()) && AtomsByShape(s));
    62   World::getInstance().unselectAllAtoms(AtomsByShape(s));
     60  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
     61  if (selectedShapes.size() != 1){
     62    ELOG(1, "SelectionNotAllAtomsInsideVolumeAction::performCall(): there has to be exactly 1 selected shape.");
     63    return Action::failure;
     64  }
     65  std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms((!AtomsBySelection()) && AtomsByShape(*selectedShapes[0]));
     66  World::getInstance().unselectAllAtoms(AtomsByShape(*selectedShapes[0]));
    6367  LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
    6468  return Action::state_ptr(new SelectionNotAllAtomsInsideVolumeState(unselectedAtoms, params));
     
    6872  SelectionNotAllAtomsInsideVolumeState *state = assert_cast<SelectionNotAllAtomsInsideVolumeState*>(_state.get());
    6973
    70   Shape s = ShapeFactory::getInstance().produce();
    71   World::getInstance().selectAllAtoms(AtomsByShape(s));
     74  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
     75  if (selectedShapes.size() != 1)
     76    return Action::failure;
     77  World::getInstance().selectAllAtoms(AtomsByShape(*selectedShapes[0]));
    7278  BOOST_FOREACH(atom *_atom, state->unselectedAtoms)
    7379    World::getInstance().unselectAtom(_atom);
     
    7985  //SelectionNotAllAtomsInsideVolumeState *state = assert_cast<SelectionNotAllAtomsInsideVolumeState*>(_state.get());
    8086
    81   Shape s = ShapeFactory::getInstance().produce();
    82   World::getInstance().unselectAllAtoms(AtomsByShape(s));
     87  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
     88  if (selectedShapes.size() != 1)
     89    return Action::failure;
     90  World::getInstance().unselectAllAtoms(AtomsByShape(*selectedShapes[0]));
    8391
    8492  return Action::state_ptr(_state);
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