Changeset 677e13 for src/Actions/WorldAction/BoundInBoxAction.cpp
- Timestamp:
- Jul 28, 2010, 9:21:14 AM (15 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:
- 400170, a7b777c
- Parents:
- 7067bd6 (diff), 0430e3 (diff)
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src/Actions/WorldAction/BoundInBoxAction.cpp
r7067bd6 r677e13 9 9 10 10 #include "Actions/WorldAction/BoundInBoxAction.hpp" 11 #include "Actions/ActionRegistry.hpp" 11 12 #include "log.hpp" 12 13 #include "molecule.hpp" … … 21 22 #include "UIElements/UIFactory.hpp" 22 23 #include "UIElements/Dialog.hpp" 23 #include " Actions/MapOfActions.hpp"24 #include "UIElements/ValueStorage.hpp" 24 25 25 26 const char WorldBoundInBoxAction::NAME[] = "bound-in-box"; … … 32 33 {} 33 34 34 Action::state_ptr WorldBoundInBoxAction::performCall() { 35 void WorldBoundInBox() { 36 ActionRegistry::getInstance().getActionByName(WorldBoundInBoxAction::NAME)->call(Action::NonInteractive); 37 }; 38 39 Dialog* WorldBoundInBoxAction::createDialog() { 35 40 Dialog *dialog = UIFactory::getInstance().makeDialog(); 36 41 37 dialog->queryEmpty(NAME, MapOfActions::getInstance().getDescription(NAME));42 dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME)); 38 43 39 if(dialog->display()) { 40 // center 41 vector<molecule*> AllMolecules = World::getInstance().getAllMolecules(); 42 for (vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) { 43 (*MolRunner)->BoundInBox(); 44 } 45 delete dialog; 46 return Action::success; 47 } else { 48 delete dialog; 49 return Action::failure; 44 return dialog; 45 } 46 47 Action::state_ptr WorldBoundInBoxAction::performCall() { 48 49 // center 50 vector<molecule*> AllMolecules = World::getInstance().getAllMolecules(); 51 for (vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) { 52 (*MolRunner)->BoundInBox(); 50 53 } 54 return Action::success; 51 55 } 52 56
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