source: src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp@ f10b0c

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 f10b0c was f10b0c, checked in by Frederik Heber <heber@…>, 13 years ago

disastrously big and ugly commit

  • using new Parameter<T> classes:
    • Actions
    • Queries (all UIs)
  • TODO:
    • actions crash cause Value is unset
    • no query<BoxVector>
  • Property mode set to 100644
File size: 2.3 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * AtomByElementAction.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 "CodePatterns/MemDebug.hpp"
21
22#include "Descriptors/AtomTypeDescriptor.hpp"
23#include "Descriptors/AtomSelectionDescriptor.hpp"
24#include "Atom/atom.hpp"
25#include "Element/element.hpp"
26#include "CodePatterns/Log.hpp"
27#include "CodePatterns/Verbose.hpp"
28#include "World.hpp"
29
30#include <boost/foreach.hpp>
31#include <iostream>
32#include <string>
33
34#include "AtomByElementAction.hpp"
35
36using namespace MoleCuilder;
37
38// and construct the stuff
39#include "AtomByElementAction.def"
40#include "Action_impl_pre.hpp"
41/** =========== define the function ====================== */
42Action::state_ptr SelectionAtomByElementAction::performCall() {
43 LOG(1, "Selecting atoms of type " << *params.elemental.get());
44 std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection());
45 World::getInstance().selectAllAtoms(AtomByType(params.elemental.get()));
46 LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
47 return Action::state_ptr(new SelectionAtomByElementState(selectedAtoms,params));
48}
49
50Action::state_ptr SelectionAtomByElementAction::performUndo(Action::state_ptr _state) {
51 SelectionAtomByElementState *state = assert_cast<SelectionAtomByElementState*>(_state.get());
52
53 World::getInstance().unselectAllAtoms(AtomByType(state->params.elemental.get()));
54 BOOST_FOREACH(atom *_atom, state->selectedAtoms)
55 World::getInstance().selectAtom(_atom);
56
57 return Action::state_ptr(_state);
58}
59
60Action::state_ptr SelectionAtomByElementAction::performRedo(Action::state_ptr _state){
61 SelectionAtomByElementState *state = assert_cast<SelectionAtomByElementState*>(_state.get());
62
63 World::getInstance().selectAllAtoms(AtomByType(state->params.elemental.get()));
64
65 return Action::state_ptr(_state);
66}
67
68bool SelectionAtomByElementAction::canUndo() {
69 return true;
70}
71
72bool SelectionAtomByElementAction::shouldUndo() {
73 return true;
74}
75/** =========== end of function ====================== */
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