1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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5 | *
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6 | *
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7 | * This file is part of MoleCuilder.
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8 | *
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9 | * MoleCuilder is free software: you can redistribute it and/or modify
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10 | * it under the terms of the GNU General Public License as published by
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11 | * the Free Software Foundation, either version 2 of the License, or
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12 | * (at your option) any later version.
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13 | *
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14 | * MoleCuilder is distributed in the hope that it will be useful,
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15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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17 | * GNU General Public License for more details.
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18 | *
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19 | * You should have received a copy of the GNU General Public License
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20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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21 | */
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22 |
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23 | /*
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24 | * ChangeElementAction.cpp
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25 | *
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26 | * Created on: May 9, 2010
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27 | * Author: heber
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28 | */
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29 |
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30 | // include config.h
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31 | #ifdef HAVE_CONFIG_H
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32 | #include <config.h>
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33 | #endif
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34 |
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35 | #include "CodePatterns/MemDebug.hpp"
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36 |
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37 | #include "Descriptors/AtomIdDescriptor.hpp"
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38 | #include "Atom/atom.hpp"
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39 | #include "Element/element.hpp"
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40 | #include "CodePatterns/Log.hpp"
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41 | #include "LinearAlgebra/Vector.hpp"
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42 | #include "CodePatterns/Verbose.hpp"
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43 | #include "molecule.hpp"
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44 | #include "World.hpp"
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45 |
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46 | #include <iostream>
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47 | #include <map>
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48 | #include <string>
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49 |
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50 | #include "Actions/AtomAction/ChangeElementAction.hpp"
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51 |
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52 | using namespace MoleCuilder;
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53 |
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54 | // and construct the stuff
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55 | #include "ChangeElementAction.def"
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56 | #include "Action_impl_pre.hpp"
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57 | /** =========== define the function ====================== */
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58 | ActionState::ptr AtomChangeElementAction::performCall() {
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59 | // create undo state
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60 | ElementMap Elements;
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61 | for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
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62 | Elements.insert(std::pair<int, const element *> (iter->second->getId(), iter->second->getType()));
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63 | }
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64 | AtomChangeElementState *UndoState = new AtomChangeElementState(Elements, params);
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65 |
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66 | for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
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67 | atom *first = iter->second;
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68 | LOG(1, "Changing atom " << *first << " to element " << *params.elemental.get() << ".");
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69 | first->setType(params.elemental.get());
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70 | }
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71 | return ActionState::ptr(UndoState);
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72 | }
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73 |
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74 | ActionState::ptr AtomChangeElementAction::performUndo(ActionState::ptr _state) {
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75 | AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
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76 | for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
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77 | atom *first = World::getInstance().getAtom(AtomById(iter->first));
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78 | first->setType(iter->second);
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79 | }
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80 |
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81 | return ActionState::ptr(_state);
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82 | }
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83 |
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84 | ActionState::ptr AtomChangeElementAction::performRedo(ActionState::ptr _state){
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85 | AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
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86 |
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87 | for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
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88 | atom *first = World::getInstance().getAtom(AtomById(iter->first));
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89 | first->setType(state->params.elemental.get());
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90 | }
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91 |
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92 | return ActionState::ptr(_state);
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93 | }
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94 |
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95 | bool AtomChangeElementAction::canUndo() {
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96 | return true;
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97 | }
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98 |
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99 | bool AtomChangeElementAction::shouldUndo() {
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100 | return true;
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101 | }
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102 | /** =========== end of function ====================== */
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