source: src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp@ c26617

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 c26617 was b5b01e, checked in by Frederik Heber <heber@…>, 11 years ago

ActionState extracted into own header file, rename Action::state_ptr -> ActionState::ptr.

  • Property mode set to 100644
File size: 2.9 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 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * AtomByElementAction.cpp
25 *
26 * Created on: May 12, 2010
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "CodePatterns/MemDebug.hpp"
36
37#include "Descriptors/AtomTypeDescriptor.hpp"
38#include "Descriptors/AtomSelectionDescriptor.hpp"
39#include "Atom/atom.hpp"
40#include "Element/element.hpp"
41#include "CodePatterns/Log.hpp"
42#include "CodePatterns/Verbose.hpp"
43#include "World.hpp"
44
45#include <boost/foreach.hpp>
46#include <iostream>
47#include <string>
48
49#include "AtomByElementAction.hpp"
50
51using namespace MoleCuilder;
52
53// and construct the stuff
54#include "AtomByElementAction.def"
55#include "Action_impl_pre.hpp"
56/** =========== define the function ====================== */
57ActionState::ptr SelectionAtomByElementAction::performCall() {
58 LOG(1, "Selecting atoms of type " << *params.elemental.get());
59 std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection());
60 World::getInstance().selectAllAtoms(AtomByType(params.elemental.get()));
61 LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
62 return ActionState::ptr(new SelectionAtomByElementState(selectedAtoms,params));
63}
64
65ActionState::ptr SelectionAtomByElementAction::performUndo(ActionState::ptr _state) {
66 SelectionAtomByElementState *state = assert_cast<SelectionAtomByElementState*>(_state.get());
67
68 World::getInstance().unselectAllAtoms(AtomByType(state->params.elemental.get()));
69 BOOST_FOREACH(atom *_atom, state->selectedAtoms)
70 World::getInstance().selectAtom(_atom);
71
72 return ActionState::ptr(_state);
73}
74
75ActionState::ptr SelectionAtomByElementAction::performRedo(ActionState::ptr _state){
76 SelectionAtomByElementState *state = assert_cast<SelectionAtomByElementState*>(_state.get());
77
78 World::getInstance().selectAllAtoms(AtomByType(state->params.elemental.get()));
79
80 return ActionState::ptr(_state);
81}
82
83bool SelectionAtomByElementAction::canUndo() {
84 return true;
85}
86
87bool SelectionAtomByElementAction::shouldUndo() {
88 return true;
89}
90/** =========== end of function ====================== */
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