source: src/Actions/AtomAction/AddAction.cpp@ 36166d

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 36166d was 84c494, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Made the world store the cell_size within a Box object.

  • Property mode set to 100644
File size: 2.4 KB
Line 
1/*
2 * AddAction.cpp
3 *
4 * Created on: May 9, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/AtomAction/AddAction.hpp"
11#include "atom.hpp"
12#include "element.hpp"
13#include "log.hpp"
14#include "molecule.hpp"
15#include "vector.hpp"
16#include "verbose.hpp"
17#include "World.hpp"
18
19#include <iostream>
20#include <string>
21
22using namespace std;
23
24#include "UIElements/UIFactory.hpp"
25#include "UIElements/Dialog.hpp"
26#include "Actions/MapOfActions.hpp"
27
28const char AtomAddAction::NAME[] = "add-atom";
29
30AtomAddAction::AtomAddAction() :
31 Action(NAME)
32{}
33
34AtomAddAction::~AtomAddAction()
35{}
36
37Action::state_ptr AtomAddAction::performCall() {
38 Dialog *dialog = UIFactory::getInstance().makeDialog();
39 std::vector<element *> elements;
40 Vector position;
41
42 dialog->queryElement(NAME, &elements, MapOfActions::getInstance().getDescription(NAME));
43 dialog->queryVector("position", &position, true, MapOfActions::getInstance().getDescription("position"));
44 cout << "pre-dialog" << endl;
45
46 if(dialog->display()) {
47 cout << "post-dialog" << endl;
48 delete dialog;
49 if (elements.size() == 1) {
50 atom * first = World::getInstance().createAtom();
51 first->type = *(elements.begin());
52 first->x = position;
53 DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl);
54 // TODO: remove when all of World's atoms are stored.
55 std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
56 if (!molecules.empty()) {
57 std::vector<molecule *>::iterator iter = molecules.begin();
58 (*iter)->AddAtom(first);
59 }
60 return Action::success;
61 } else {
62 DoeLog(1) && (eLog()<< Verbose(1) << "Could not find the specified element." << endl);
63 return Action::failure;
64 }
65 } else {
66 delete dialog;
67 return Action::failure;
68 }
69
70}
71
72Action::state_ptr AtomAddAction::performUndo(Action::state_ptr _state) {
73// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
74
75 return Action::failure;
76// string newName = state->mol->getName();
77// state->mol->setName(state->lastName);
78//
79// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
80}
81
82Action::state_ptr AtomAddAction::performRedo(Action::state_ptr _state){
83 return Action::failure;
84}
85
86bool AtomAddAction::canUndo() {
87 return false;
88}
89
90bool AtomAddAction::shouldUndo() {
91 return false;
92}
93
94const string AtomAddAction::getName() {
95 return NAME;
96}
Note: See TracBrowser for help on using the repository browser.