source: src/Actions/SelectionAction/NotMoleculeByFormulaAction.cpp@ 9ee38b

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 9ee38b was 0b2ce9, checked in by Frederik Heber <heber@…>, 14 years ago

Implemented macros for automatically generating repetitive stuff around Actions.

The idea is that only the following items have to be provided for by the user

  • parameters (i.e. for each the following tupel: type, token and reference)
  • perform...(), ...Undo(), ...

Therefore, we have three new files:

  • Action_impl_header.hpp: Is for the declarations in the header
  • Action_impl_pre.hpp: Is before definition of functions
  • Action_impl_post.hpp: is after definition of functions (cleanup)

Changes:

  • Property mode set to 100644
File size: 3.9 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * NotMoleculeByFormulaAction.cpp
10 *
11 * Created on: May 12, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "Helpers/MemDebug.hpp"
21
22#include "Actions/SelectionAction/NotMoleculeByFormulaAction.hpp"
23#include "Actions/ActionRegistry.hpp"
24#include "Descriptors/MoleculeFormulaDescriptor.hpp"
25#include "molecule.hpp"
26#include "Helpers/Log.hpp"
27#include "Helpers/Verbose.hpp"
28#include "World.hpp"
29
30#include <iostream>
31#include <string>
32
33using namespace std;
34
35#include "UIElements/UIFactory.hpp"
36#include "UIElements/Dialog.hpp"
37#include "Actions/ValueStorage.hpp"
38
39
40// memento to remember the state when undoing
41
42class SelectionNotMoleculeByFormulaState : public ActionState {
43public:
44 SelectionNotMoleculeByFormulaState(std::vector<molecule*> selectedMolecules, const std::string &_formula) :
45 selectedMolecules(selectedMolecules),
46 formula(_formula)
47 {}
48 std::vector<molecule*> selectedMolecules;
49 std::string formula;
50};
51
52const char SelectionNotMoleculeByFormulaAction::NAME[] = "unselect-molecule-by-formula";
53
54SelectionNotMoleculeByFormulaAction::SelectionNotMoleculeByFormulaAction() :
55 Action(NAME)
56{}
57
58SelectionNotMoleculeByFormulaAction::~SelectionNotMoleculeByFormulaAction()
59{}
60
61void SelectionNotMoleculeByFormula(const std::string &_formula) {
62 ValueStorage::getInstance().setCurrentValue(SelectionNotMoleculeByFormulaAction::NAME, _formula);
63 ActionRegistry::getInstance().getActionByName(SelectionNotMoleculeByFormulaAction::NAME)->call(Action::NonInteractive);
64};
65
66void SelectionNotMoleculeByFormulaAction::getParametersfromValueStorage()
67{};
68
69Dialog* SelectionNotMoleculeByFormulaAction::fillDialog(Dialog *dialog) {
70 ASSERT(dialog,"No Dialog given when filling action dialog");
71
72 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME));
73
74 return dialog;
75}
76
77Action::state_ptr SelectionNotMoleculeByFormulaAction::performCall() {
78 std::string formula;
79 std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
80
81 ValueStorage::getInstance().queryCurrentValue(NAME, formula);
82
83 DoLog(1) && (Log() << Verbose(1) << "Unselecting molecules with chemical formula " << formula << ":" << endl);
84 std::vector<molecule *> matchingMolecules = World::getInstance().getAllMolecules(MoleculeByFormula(formula));
85 for (std::vector<molecule *>::const_iterator iter = matchingMolecules.begin(); iter != matchingMolecules.end(); ++iter) {
86 DoLog(1) && (Log() << Verbose(1) << "\t" << (*iter)->getId() << ", " << (*iter)->getName() << "." << endl);
87 }
88 World::getInstance().unselectAllMolecules(MoleculeByFormula(formula));
89 return Action::state_ptr(new SelectionNotMoleculeByFormulaState(selectedMolecules,formula));
90}
91
92Action::state_ptr SelectionNotMoleculeByFormulaAction::performUndo(Action::state_ptr _state) {
93 SelectionNotMoleculeByFormulaState *state = assert_cast<SelectionNotMoleculeByFormulaState*>(_state.get());
94
95 World::getInstance().clearMoleculeSelection();
96 for(std::vector<molecule *>::iterator iter = state->selectedMolecules.begin(); iter != state->selectedMolecules.end(); ++iter)
97 World::getInstance().selectMolecule(*iter);
98
99 return Action::state_ptr(_state);
100}
101
102Action::state_ptr SelectionNotMoleculeByFormulaAction::performRedo(Action::state_ptr _state){
103 SelectionNotMoleculeByFormulaState *state = assert_cast<SelectionNotMoleculeByFormulaState*>(_state.get());
104
105 World::getInstance().unselectAllMolecules(MoleculeByFormula(state->formula));
106
107 return Action::state_ptr(_state);
108}
109
110bool SelectionNotMoleculeByFormulaAction::canUndo() {
111 return true;
112}
113
114bool SelectionNotMoleculeByFormulaAction::shouldUndo() {
115 return true;
116}
117
118const string SelectionNotMoleculeByFormulaAction::getName() {
119 return NAME;
120}
Note: See TracBrowser for help on using the repository browser.