source: src/Actions/AtomAction/ChangeElementAction.cpp@ f0a3ec

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 f0a3ec was 623e89, checked in by Frederik Heber <heber@…>, 15 years ago

Compilation took ages because of CommandLineParser.hpp being unnecessarily included in every action.

  • it was actually needed in HelperAction.cpp and copy&pasted itself from there into almost all others.
  • Property mode set to 100644
File size: 2.1 KB
Line 
1/*
2 * ChangeElementAction.cpp
3 *
4 * Created on: May 9, 2010
5 * Author: heber
6 */
7
8#include "Actions/AtomAction/ChangeElementAction.hpp"
9#include "atom.hpp"
10#include "log.hpp"
11#include "vector.hpp"
12#include "verbose.hpp"
13#include "World.hpp"
14
15#include <iostream>
16#include <string>
17
18using namespace std;
19
20#include "UIElements/UIFactory.hpp"
21#include "UIElements/Dialog.hpp"
22#include "Actions/MapOfActions.hpp"
23
24const char AtomChangeElementAction::NAME[] = "change-element";
25
26AtomChangeElementAction::AtomChangeElementAction() :
27 Action(NAME)
28{}
29
30AtomChangeElementAction::~AtomChangeElementAction()
31{}
32
33Action::state_ptr AtomChangeElementAction::performCall() {
34 Dialog *dialog = UIFactory::getInstance().makeDialog();
35 atom *first = NULL;
36 std::vector<element *> elements;
37
38 dialog->queryElement(NAME, &elements, MapOfActions::getInstance().getDescription(NAME));
39 dialog->queryAtom("atom-by-id", &first, MapOfActions::getInstance().getDescription("atom-by-id"));
40
41 if(dialog->display()) {
42 delete dialog;
43 ASSERT(elements.size() == 1, "Unequal to one element specified when changing an atom's element");
44 DoLog(1) && (Log() << Verbose(1) << "Changing atom " << *first << " to element " << elements.at(0) << "." << endl);
45 if (elements.at(0) != NULL) {
46 first->type = elements.at(0);
47 return Action::success;
48 } else
49 return Action::failure;
50 } else {
51 delete dialog;
52 return Action::failure;
53 }
54
55}
56
57Action::state_ptr AtomChangeElementAction::performUndo(Action::state_ptr _state) {
58// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
59
60 return Action::failure;
61// string newName = state->mol->getName();
62// state->mol->setName(state->lastName);
63//
64// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
65}
66
67Action::state_ptr AtomChangeElementAction::performRedo(Action::state_ptr _state){
68 return Action::failure;
69}
70
71bool AtomChangeElementAction::canUndo() {
72 return false;
73}
74
75bool AtomChangeElementAction::shouldUndo() {
76 return false;
77}
78
79const string AtomChangeElementAction::getName() {
80 return NAME;
81}
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