source: src/Actions/AtomAction/RemoveAction.cpp@ 53d01c

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 53d01c was 0b2ce9, checked in by Frederik Heber <heber@…>, 15 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: 4.2 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 * RemoveAction.cpp
10 *
11 * Created on: May 9, 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/AtomAction/RemoveAction.hpp"
23#include "Actions/ActionRegistry.hpp"
24#include "atom.hpp"
25#include "AtomicInfo.hpp"
26#include "Descriptors/AtomDescriptor.hpp"
27#include "Helpers/Log.hpp"
28#include "molecule.hpp"
29#include "Helpers/Verbose.hpp"
30#include "World.hpp"
31
32#include <iostream>
33#include <string>
34
35using namespace std;
36
37#include "UIElements/UIFactory.hpp"
38#include "UIElements/Dialog.hpp"
39#include "Actions/ValueStorage.hpp"
40
41// memento to remember the state when undoing
42
43class AtomRemoveState : public ActionState {
44public:
45 AtomRemoveState(std::vector<AtomicInfo> _Walkers) :
46 Walkers(_Walkers)
47 {}
48 std::vector<AtomicInfo> Walkers;
49};
50
51const char AtomRemoveAction::NAME[] = "remove-atom";
52
53AtomRemoveAction::AtomRemoveAction() :
54 Action(NAME)
55{}
56
57AtomRemoveAction::~AtomRemoveAction()
58{}
59
60void AtomRemove() {
61 ActionRegistry::getInstance().getActionByName(AtomRemoveAction::NAME)->call(Action::NonInteractive);
62};
63
64void AtomRemoveAction::getParametersfromValueStorage()
65{};
66
67Dialog* AtomRemoveAction::fillDialog(Dialog *dialog) {
68 ASSERT(dialog,"No Dialog given when filling action dialog");
69
70 dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
71
72 return dialog;
73}
74
75Action::state_ptr AtomRemoveAction::performCall() {
76 atom *first = NULL;
77
78 // create undo state
79 std::vector<AtomicInfo> Walkers;
80 for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
81 Walkers.push_back(AtomicInfo(*(iter->second)));
82 }
83 AtomRemoveState *UndoState = new AtomRemoveState(Walkers);
84
85 // remove all selected atoms
86// std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
87 for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
88 first = iter->second;
89 DoLog(1) && (Log() << Verbose(1) << "Removing atom " << first->getId() << "." << endl);
90// // TODO: this is not necessary when atoms and their storing to file are handled by the World
91// // simply try to erase in every molecule found
92// for (std::vector<molecule *>::iterator iter = molecules.begin();iter != molecules.end(); ++iter) {
93// (*iter)->erase(first);
94// }
95 World::getInstance().destroyAtom(first);
96 }
97 return Action::state_ptr(UndoState);
98}
99
100Action::state_ptr AtomRemoveAction::performUndo(Action::state_ptr _state) {
101 AtomRemoveState *state = assert_cast<AtomRemoveState*>(_state.get());
102
103 size_t i=0;
104 for (; i<state->Walkers.size(); ++i) {
105 // re-create the atom
106 DoLog(1) && (Log() << Verbose(1) << "Re-adding atom " << state->Walkers[i].getId() << "." << endl);
107 atom *Walker = World::getInstance().createAtom();
108 if (!state->Walkers[i].setAtom(*Walker)) {
109 DoeLog(1) && (eLog() << Verbose(1) << "Failed to set id." << endl);
110 World::getInstance().destroyAtom(Walker);
111 break;
112 }
113 }
114 if (i<state->Walkers.size()) {
115 // remove all previous ones, too
116 for (size_t j=0;j<i;++j)
117 World::getInstance().destroyAtom(state->Walkers[j].getId());
118 // and announce the failure of the undo
119 return Action::failure;
120 }
121 return Action::state_ptr(_state);
122}
123
124Action::state_ptr AtomRemoveAction::performRedo(Action::state_ptr _state){
125 AtomRemoveState *state = assert_cast<AtomRemoveState*>(_state.get());
126
127 // simple remove again all previously added atoms
128 for (size_t i=0; i<state->Walkers.size(); ++i) {
129 DoLog(1) && (Log() << Verbose(1) << "Re-removing atom " << state->Walkers[i].getId() << "." << endl);
130 World::getInstance().destroyAtom(state->Walkers[i].getId());
131 }
132
133 return Action::state_ptr(_state);
134}
135
136bool AtomRemoveAction::canUndo() {
137 return true;
138}
139
140bool AtomRemoveAction::shouldUndo() {
141 return true;
142}
143
144const string AtomRemoveAction::getName() {
145 return NAME;
146}
Note: See TracBrowser for help on using the repository browser.