| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 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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| [bcf653] | 21 | */ | 
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|  | 22 |  | 
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| [97ebf8] | 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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| [bf3817] | 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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| [9eb71b3] | 35 | //#include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 36 |  | 
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| [f8456c] | 37 | #include "Descriptors/AtomIdDescriptor.hpp" | 
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| [6f0841] | 38 | #include "Atom/atom.hpp" | 
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| [3bdb6d] | 39 | #include "Element/element.hpp" | 
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| [ad011c] | 40 | #include "CodePatterns/Log.hpp" | 
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| [57f243] | 41 | #include "LinearAlgebra/Vector.hpp" | 
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| [ad011c] | 42 | #include "CodePatterns/Verbose.hpp" | 
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| [dddbfe] | 43 | #include "molecule.hpp" | 
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| [97ebf8] | 44 | #include "World.hpp" | 
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|  | 45 |  | 
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|  | 46 | #include <iostream> | 
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| [f8456c] | 47 | #include <map> | 
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| [97ebf8] | 48 | #include <string> | 
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|  | 49 |  | 
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| [1fd675] | 50 | #include "Actions/AtomAction/ChangeElementAction.hpp" | 
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| [454065] | 51 |  | 
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| [ce7fdc] | 52 | using namespace MoleCuilder; | 
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|  | 53 |  | 
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| [1fd675] | 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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| [b5b01e] | 58 | ActionState::ptr AtomChangeElementAction::performCall() { | 
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| [f8456c] | 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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| [1fd675] | 64 | AtomChangeElementState *UndoState = new AtomChangeElementState(Elements, params); | 
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| [f8456c] | 65 |  | 
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| [454065] | 66 | for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) { | 
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| [f01769] | 67 | atom *first = iter->second; | 
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| [f10b0c] | 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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| [454065] | 70 | } | 
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| [b5b01e] | 71 | return ActionState::ptr(UndoState); | 
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| [97ebf8] | 72 | } | 
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|  | 73 |  | 
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| [b5b01e] | 74 | ActionState::ptr AtomChangeElementAction::performUndo(ActionState::ptr _state) { | 
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| [f8456c] | 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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| [f01769] | 77 | atom *first = World::getInstance().getAtom(AtomById(iter->first)); | 
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| [f8456c] | 78 | first->setType(iter->second); | 
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|  | 79 | } | 
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|  | 80 |  | 
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| [b5b01e] | 81 | return ActionState::ptr(_state); | 
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| [97ebf8] | 82 | } | 
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|  | 83 |  | 
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| [b5b01e] | 84 | ActionState::ptr AtomChangeElementAction::performRedo(ActionState::ptr _state){ | 
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| [f8456c] | 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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| [f01769] | 88 | atom *first = World::getInstance().getAtom(AtomById(iter->first)); | 
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| [f10b0c] | 89 | first->setType(state->params.elemental.get()); | 
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| [f8456c] | 90 | } | 
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|  | 91 |  | 
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| [b5b01e] | 92 | return ActionState::ptr(_state); | 
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| [97ebf8] | 93 | } | 
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|  | 94 |  | 
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|  | 95 | bool AtomChangeElementAction::canUndo() { | 
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| [f8456c] | 96 | return true; | 
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| [97ebf8] | 97 | } | 
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|  | 98 |  | 
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|  | 99 | bool AtomChangeElementAction::shouldUndo() { | 
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| [f8456c] | 100 | return true; | 
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| [97ebf8] | 101 | } | 
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| [1fd675] | 102 | /** =========== end of function ====================== */ | 
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