source: src/Actions/SelectionAction/MoleculeOfAtomAction.cpp@ 481e92

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
Last change on this file since 481e92 was 481e92, checked in by Frederik Heber <heber@…>, 14 years ago

New selection: select-molecule-of-atom.

  • Property mode set to 100644
File size: 3.0 KB
Line 
1/*
2 * MoleculeOfAtomAction.cpp
3 *
4 * Created on: May 12, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/SelectionAction/MoleculeOfAtomAction.hpp"
11#include "Actions/ActionRegistry.hpp"
12#include "Descriptors/MoleculeDescriptor.hpp"
13#include "atom.hpp"
14#include "Helpers/Log.hpp"
15#include "Helpers/Verbose.hpp"
16#include "World.hpp"
17
18#include <iostream>
19#include <string>
20
21using namespace std;
22
23#include "UIElements/UIFactory.hpp"
24#include "UIElements/Dialog.hpp"
25#include "Actions/ValueStorage.hpp"
26
27
28// memento to remember the state when undoing
29
30class SelectionMoleculeOfAtomState : public ActionState {
31public:
32 SelectionMoleculeOfAtomState(std::vector<molecule*> selectedMolecules, atom *_Walker) :
33 selectedMolecules(selectedMolecules),
34 Walker(_Walker)
35 {}
36 std::vector<molecule*> selectedMolecules;
37 atom *Walker;
38};
39
40const char SelectionMoleculeOfAtomAction::NAME[] = "select-molecule-of-atom";
41
42SelectionMoleculeOfAtomAction::SelectionMoleculeOfAtomAction() :
43 Action(NAME)
44{}
45
46SelectionMoleculeOfAtomAction::~SelectionMoleculeOfAtomAction()
47{}
48
49void SelectionMoleculeOfAtom() {
50 ActionRegistry::getInstance().getActionByName(SelectionMoleculeOfAtomAction::NAME)->call(Action::NonInteractive);
51};
52
53Dialog* SelectionMoleculeOfAtomAction::fillDialog(Dialog *dialog) {
54 ASSERT(dialog,"No Dialog given when filling action dialog");
55
56 dialog->queryAtom(NAME, ValueStorage::getInstance().getDescription(NAME));
57
58 return dialog;
59}
60
61Action::state_ptr SelectionMoleculeOfAtomAction::performCall() {
62 atom *Walker = NULL;
63
64 ValueStorage::getInstance().queryCurrentValue(NAME, Walker);
65
66 std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
67 DoLog(1) && (Log() << Verbose(1) << "Selecting molecule to which " << Walker->getName() << " belongs." << endl);
68 World::getInstance().selectMoleculeOfAtom(Walker);
69 return Action::state_ptr(new SelectionMoleculeOfAtomState(selectedMolecules, Walker));
70}
71
72Action::state_ptr SelectionMoleculeOfAtomAction::performUndo(Action::state_ptr _state) {
73 SelectionMoleculeOfAtomState *state = assert_cast<SelectionMoleculeOfAtomState*>(_state.get());
74
75 World::getInstance().clearMoleculeSelection();
76 for(std::vector<molecule *>::iterator iter = state->selectedMolecules.begin(); iter != state->selectedMolecules.end(); ++iter)
77 World::getInstance().selectMolecule(*iter);
78
79 return Action::state_ptr(new SelectionMoleculeOfAtomState(state->selectedMolecules, state->Walker));
80}
81
82Action::state_ptr SelectionMoleculeOfAtomAction::performRedo(Action::state_ptr _state){
83 SelectionMoleculeOfAtomState *state = assert_cast<SelectionMoleculeOfAtomState*>(_state.get());
84
85 World::getInstance().selectMoleculeOfAtom(state->Walker);
86
87 return Action::state_ptr(new SelectionMoleculeOfAtomState(state->selectedMolecules, state->Walker));
88}
89
90bool SelectionMoleculeOfAtomAction::canUndo() {
91 return true;
92}
93
94bool SelectionMoleculeOfAtomAction::shouldUndo() {
95 return true;
96}
97
98const string SelectionMoleculeOfAtomAction::getName() {
99 return NAME;
100}
Note: See TracBrowser for help on using the repository browser.