Changeset 1fd675 for src/Actions/AtomAction/TranslateAction.cpp
- Timestamp:
- Aug 28, 2010, 12:57:56 AM (14 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:
- 966e12
- Parents:
- 53d01c
- git-author:
- Frederik Heber <heber@…> (08/26/10 21:05:34)
- git-committer:
- Frederik Heber <heber@…> (08/28/10 00:57:56)
- File:
-
- 1 edited
Legend:
- Unmodified
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src/Actions/AtomAction/TranslateAction.cpp
r53d01c r1fd675 20 20 #include "Helpers/MemDebug.hpp" 21 21 22 #include "Actions/AtomAction/TranslateAction.hpp"23 #include "Actions/ActionRegistry.hpp"24 22 #include "Helpers/Log.hpp" 25 23 #include "atom.hpp" … … 34 32 using namespace std; 35 33 36 #include "UIElements/UIFactory.hpp" 37 #include "UIElements/Dialog.hpp" 38 #include "Actions/ValueStorage.hpp" 34 #include "Actions/AtomAction/TranslateAction.hpp" 39 35 40 /****** AtomTranslateAction *****/ 41 42 // memento to remember the state when undoing 43 44 class AtomTranslateState : public ActionState { 45 public: 46 AtomTranslateState(const std::vector<atom*> &_selectedAtoms, const Vector &_v, const bool _periodic) : 47 selectedAtoms(_selectedAtoms), 48 v(_v), 49 periodic(_periodic) 50 {} 51 std::vector<atom*> selectedAtoms; 52 Vector v; 53 bool periodic; 54 }; 55 56 const char AtomTranslateAction::NAME[] = "translate-atoms"; 57 58 AtomTranslateAction::AtomTranslateAction() : 59 Action(NAME) 60 {} 61 62 AtomTranslateAction::~AtomTranslateAction() 63 {} 64 65 void AtomTranslate(Vector &x, bool periodic = false) { 66 ValueStorage::getInstance().setCurrentValue(AtomTranslateAction::NAME, x); 67 ValueStorage::getInstance().setCurrentValue("periodic", periodic); 68 ActionRegistry::getInstance().getActionByName(AtomTranslateAction::NAME)->call(Action::NonInteractive); 69 }; 70 71 void AtomTranslateAction::getParametersfromValueStorage() 72 {}; 73 74 Dialog* AtomTranslateAction::fillDialog(Dialog *dialog) { 75 ASSERT(dialog,"No Dialog given when filling action dialog"); 76 77 dialog->queryVector(NAME, false, ValueStorage::getInstance().getDescription(NAME)); 78 dialog->queryBoolean("periodic", ValueStorage::getInstance().getDescription("periodic")); 79 80 return dialog; 81 } 82 36 // and construct the stuff 37 #include "TranslateAction.def" 38 #include "Action_impl_pre.hpp" 39 /** =========== define the function ====================== */ 83 40 Action::state_ptr AtomTranslateAction::performCall() { 84 Vector v;85 bool periodic = false;86 41 Box &domain = World::getInstance().getDomain(); 87 42 std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms(); 88 43 89 ValueStorage::getInstance().queryCurrentValue(NAME, v); 90 if (!ValueStorage::getInstance().queryCurrentValue("periodic", periodic, true)) 91 periodic = false; 44 // obtain information 45 getParametersfromValueStorage(); 92 46 93 47 // TODO: use AtomSet::translate 94 48 for (std::vector<atom *>::iterator iter = selectedAtoms.begin(); iter != selectedAtoms.end(); ++iter) { 95 *(*iter) += v;96 if (p eriodic)49 *(*iter) += params.x; 50 if (params.periodic) 97 51 (*iter)->setPosition(domain.WrapPeriodically((*iter)->getPosition())); 98 52 } 99 53 100 return Action::state_ptr(new AtomTranslateState(selectedAtoms, v, periodic));54 return Action::state_ptr(new AtomTranslateState(selectedAtoms, params)); 101 55 } 102 56 … … 106 60 107 61 for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { 108 *(*iter) -= state-> v;109 if (state->p eriodic)62 *(*iter) -= state->params.x; 63 if (state->params.periodic) 110 64 (*iter)->setPosition(domain.WrapPeriodically((*iter)->getPosition())); 111 65 } … … 119 73 120 74 for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { 121 *(*iter) += state-> v;122 if (state->p eriodic)75 *(*iter) += state->params.x; 76 if (state->params.periodic) 123 77 (*iter)->setPosition(domain.WrapPeriodically((*iter)->getPosition())); 124 78 } … … 138 92 return NAME; 139 93 } 94 /** =========== end of function ====================== */
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