- Timestamp:
- Nov 16, 2012, 11:10:26 AM (12 years ago)
- 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)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp
rff9e5a r060c7d 41 41 #include "CodePatterns/Verbose.hpp" 42 42 #include "LinearAlgebra/Vector.hpp" 43 #include "Shapes/Shape Factory.hpp"43 #include "Shapes/ShapeRegistry.hpp" 44 44 #include "World.hpp" 45 45 … … 58 58 Action::state_ptr SelectionNotAllAtomsInsideVolumeAction::performCall() { 59 59 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])); 63 67 LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected."); 64 68 return Action::state_ptr(new SelectionNotAllAtomsInsideVolumeState(unselectedAtoms, params)); … … 68 72 SelectionNotAllAtomsInsideVolumeState *state = assert_cast<SelectionNotAllAtomsInsideVolumeState*>(_state.get()); 69 73 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])); 72 78 BOOST_FOREACH(atom *_atom, state->unselectedAtoms) 73 79 World::getInstance().unselectAtom(_atom); … … 79 85 //SelectionNotAllAtomsInsideVolumeState *state = assert_cast<SelectionNotAllAtomsInsideVolumeState*>(_state.get()); 80 86 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])); 83 91 84 92 return Action::state_ptr(_state);
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