source: src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp@ 0716eac

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 0716eac was 0716eac, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

SelectMoleculeByOrder and SelectionAtomByOrder now allows multiple indices.

  • of course, this is also true for unselection.
  • Property mode set to 100644
File size: 3.5 KB
RevLine 
[ca03c7]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[94d5ac6]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/>.
[ca03c7]21 */
22
23/*
24 * MoleculeByOrderAction.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
[9eb71b3]35//#include "CodePatterns/MemDebug.hpp"
[ca03c7]36
37#include "molecule.hpp"
[ad011c]38#include "CodePatterns/Log.hpp"
39#include "CodePatterns/Verbose.hpp"
[92d756]40#include "Descriptors/MoleculeOrderDescriptor.hpp"
[ca03c7]41#include "World.hpp"
42
43#include <iostream>
44#include <string>
45
[125002]46#include "MoleculeByOrderAction.hpp"
[ca03c7]47
[ce7fdc]48using namespace MoleCuilder;
49
[ca03c7]50// and construct the stuff
51#include "MoleculeByOrderAction.def"
52#include "Action_impl_pre.hpp"
53/** =========== define the function ====================== */
54
[b5b01e]55ActionState::ptr SelectionMoleculeByOrderAction::performCall() {
[0716eac]56 size_t no_selected = 0;
57 const std::vector<int> &indices = params.molindices.get();
58 std::vector<const molecule *> mols;
59 const World &const_world = World::getConstInstance();
60 World &world = World::getInstance();
61 for( std::vector<int>::const_iterator iter = indices.begin();
62 iter != indices.end(); ++iter) {
63 const molecule *mol = const_world.getMolecule(MoleculeByOrder(*iter));
64
65 if (mol != NULL) {
66 if (!const_world.isSelected(mol)) {
67 //LOG(1, "Selecting molecule " << mol->name);
68 world.selectMolecule(mol);
69 mols.push_back(mol);
70 ++no_selected;
71 }
[ca03c7]72 } else {
[0716eac]73 STATUS("Cannot find molecule by given index "+toString(*iter)+".");
74 return Action::failure;
[ca03c7]75 }
[0716eac]76 }
77
78 LOG(0, no_selected << " molecules additionally selected.");
79 if (no_selected != 0) {
80 return ActionState::ptr(new SelectionMoleculeByOrderState(mols, params));
[ca03c7]81 } else {
[0716eac]82 return Action::success;
[ca03c7]83 }
84}
85
[b5b01e]86ActionState::ptr SelectionMoleculeByOrderAction::performUndo(ActionState::ptr _state) {
[ca03c7]87 SelectionMoleculeByOrderState *state = assert_cast<SelectionMoleculeByOrderState*>(_state.get());
88
[0716eac]89 World &world = World::getInstance();
90 for (std::vector<const molecule *>::const_iterator iter = state->mols.begin();
91 iter != state->mols.end(); ++iter)
92 world.unselectMolecule(*iter);
93
[b5b01e]94 return ActionState::ptr(_state);
[ca03c7]95}
96
[b5b01e]97ActionState::ptr SelectionMoleculeByOrderAction::performRedo(ActionState::ptr _state){
[ca03c7]98 SelectionMoleculeByOrderState *state = assert_cast<SelectionMoleculeByOrderState*>(_state.get());
99
[0716eac]100 World &world = World::getInstance();
101 for (std::vector<const molecule *>::const_iterator iter = state->mols.begin();
102 iter != state->mols.end(); ++iter)
103 world.selectMolecule(*iter);
[b5b01e]104 return ActionState::ptr(_state);
[ca03c7]105}
106
107bool SelectionMoleculeByOrderAction::canUndo() {
108 return true;
109}
110
111bool SelectionMoleculeByOrderAction::shouldUndo() {
112 return true;
113}
114/** =========== end of function ====================== */
Note: See TracBrowser for help on using the repository browser.