Changeset a20fb9 for src/Actions
- Timestamp:
- Jul 22, 2010, 8:47:06 PM (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:
- bcd16a
- Parents:
- b9b26b
- Location:
- src/Actions/MoleculeAction
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/MoleculeAction/TranslateAction.cpp
rb9b26b ra20fb9 18 18 #include "UIElements/UIFactory.hpp" 19 19 #include "UIElements/Dialog.hpp" 20 #include " Actions/MapOfActions.hpp"20 #include "UIElements/ValueStorage.hpp" 21 21 22 #include "atom.hpp"23 22 #include "log.hpp" 24 23 #include "molecule.hpp" 24 #include "vector.hpp" 25 25 #include "verbose.hpp" 26 26 #include "World.hpp" … … 49 49 {} 50 50 51 Dialog* MoleculeTranslateAction::createDialog() { 52 Dialog *dialog = UIFactory::getInstance().makeDialog(); 53 54 dialog->queryVector(NAME, false, ValueStorage::getInstance().getDescription(NAME)); 55 dialog->queryBoolean("periodic", ValueStorage::getInstance().getDescription("periodic")); 56 57 return dialog; 58 } 59 51 60 Action::state_ptr MoleculeTranslateAction::performCall() { 52 Dialog *dialog = UIFactory::getInstance().makeDialog();53 61 molecule *mol = NULL; 54 62 Vector x; 55 63 bool periodic = false; 56 64 57 dialog->queryVector(NAME, &x, false, MapOfActions::getInstance().getDescription(NAME)); 58 dialog->queryMolecule("molecule-by-id", &mol, MapOfActions::getInstance().getDescription("molecule-by-id")); 59 dialog->queryBoolean("periodic", &periodic, MapOfActions::getInstance().getDescription("periodic")); 60 cout << "pre-dialog" << endl; 65 ValueStorage::getInstance().queryCurrentValue(NAME, x); 66 ValueStorage::getInstance().queryCurrentValue("periodic", periodic); 61 67 62 if(dialog->display()) {63 cout << "post-dialog" << endl;68 for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { 69 mol = iter->second; 64 70 DoLog(1) && (Log() << Verbose(1) << "Translating all ions by given vector." << endl); 65 71 if (periodic) … … 67 73 else 68 74 mol->Translate((const Vector *)&x); 69 delete dialog;70 return Action::success;71 75 } 72 delete dialog; 73 return Action::failure; 76 return Action::success; 74 77 } 75 78 -
src/Actions/MoleculeAction/TranslateAction.hpp
rb9b26b ra20fb9 24 24 virtual const std::string getName(); 25 25 private: 26 virtual Dialog * createDialog(); 26 27 virtual Action::state_ptr performCall(); 27 28 virtual Action::state_ptr performUndo(Action::state_ptr);
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