| [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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| [34c338] | 23 | /* | 
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|  | 24 | * TranslateAction.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: May 10, 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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| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp" | 
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| [34c338] | 36 |  | 
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| [ad011c] | 37 | #include "CodePatterns/Log.hpp" | 
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| [6f0841] | 38 | #include "Atom/atom.hpp" | 
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| [34c338] | 39 | #include "LinearAlgebra/Vector.hpp" | 
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| [ad011c] | 40 | #include "CodePatterns/Verbose.hpp" | 
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| [34c338] | 41 | #include "World.hpp" | 
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|  | 42 |  | 
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|  | 43 | #include <iostream> | 
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|  | 44 | #include <fstream> | 
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|  | 45 | #include <string> | 
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|  | 46 |  | 
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| [1fd675] | 47 | #include "Actions/AtomAction/TranslateAction.hpp" | 
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| [34c338] | 48 |  | 
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| [ce7fdc] | 49 | using namespace MoleCuilder; | 
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|  | 50 |  | 
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| [1fd675] | 51 | // and construct the stuff | 
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|  | 52 | #include "TranslateAction.def" | 
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|  | 53 | #include "Action_impl_pre.hpp" | 
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|  | 54 | /** =========== define the function ====================== */ | 
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| [b5b01e] | 55 | ActionState::ptr AtomTranslateAction::performCall() { | 
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| [0adac1] | 56 | Box &domain = World::getInstance().getDomain(); | 
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| [34c338] | 57 | std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms(); | 
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|  | 58 |  | 
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|  | 59 | // TODO: use AtomSet::translate | 
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|  | 60 | for (std::vector<atom *>::iterator iter = selectedAtoms.begin(); iter != selectedAtoms.end(); ++iter) { | 
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| [f10b0c] | 61 | *(*iter) += params.x.get(); | 
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|  | 62 | if (params.periodic.get()) | 
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| [712886] | 63 | (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); | 
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| [34c338] | 64 | } | 
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| [0adac1] | 65 |  | 
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| [b5b01e] | 66 | return ActionState::ptr(new AtomTranslateState(selectedAtoms, params)); | 
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| [34c338] | 67 | } | 
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|  | 68 |  | 
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| [b5b01e] | 69 | ActionState::ptr AtomTranslateAction::performUndo(ActionState::ptr _state) { | 
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| [34c338] | 70 | AtomTranslateState *state = assert_cast<AtomTranslateState*>(_state.get()); | 
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| [0adac1] | 71 | Box &domain = World::getInstance().getDomain(); | 
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| [34c338] | 72 |  | 
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|  | 73 | for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { | 
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| [f10b0c] | 74 | *(*iter) -= state->params.x.get(); | 
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|  | 75 | if (state->params.periodic.get()) | 
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| [712886] | 76 | (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); | 
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| [34c338] | 77 | } | 
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|  | 78 |  | 
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| [b5b01e] | 79 | return ActionState::ptr(_state); | 
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| [34c338] | 80 | } | 
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|  | 81 |  | 
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| [b5b01e] | 82 | ActionState::ptr AtomTranslateAction::performRedo(ActionState::ptr _state){ | 
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| [34c338] | 83 | AtomTranslateState *state = assert_cast<AtomTranslateState*>(_state.get()); | 
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| [0adac1] | 84 | Box &domain = World::getInstance().getDomain(); | 
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| [34c338] | 85 |  | 
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|  | 86 | for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { | 
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| [f10b0c] | 87 | *(*iter) += state->params.x.get(); | 
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|  | 88 | if (state->params.periodic.get()) | 
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| [712886] | 89 | (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); | 
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| [34c338] | 90 | } | 
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|  | 91 |  | 
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| [b5b01e] | 92 | return ActionState::ptr(_state); | 
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| [34c338] | 93 | } | 
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|  | 94 |  | 
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|  | 95 | bool AtomTranslateAction::canUndo() { | 
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|  | 96 | return true; | 
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|  | 97 | } | 
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|  | 98 |  | 
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|  | 99 | bool AtomTranslateAction::shouldUndo() { | 
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|  | 100 | return true; | 
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|  | 101 | } | 
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| [1fd675] | 102 | /** =========== end of function ====================== */ | 
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