| [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 | * LinearInterpolationofTrajectoriesAction.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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| [9eb71b3] | 35 | //#include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 36 |  | 
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| [6f0841] | 37 | #include "Atom/atom.hpp" | 
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| [e4fe8d] | 38 | #include "Helpers/defs.hpp" | 
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| [20943b] | 39 | #include "CodePatterns/Assert.hpp" | 
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| [ad011c] | 40 | #include "CodePatterns/Log.hpp" | 
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|  | 41 | #include "CodePatterns/Verbose.hpp" | 
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| [20943b] | 42 | #include "Dynamics/LinearInterpolationBetweenSteps.hpp" | 
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|  | 43 | #include "molecule.hpp" | 
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| [1a3c26] | 44 | #include "World.hpp" | 
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| [97ebf8] | 45 |  | 
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| [20943b] | 46 | #include <vector> | 
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| [97ebf8] | 47 | #include <iostream> | 
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|  | 48 | #include <fstream> | 
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|  | 49 | #include <string> | 
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|  | 50 |  | 
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| [1fd675] | 51 | #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp" | 
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| [620fe5] | 52 |  | 
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| [ce7fdc] | 53 | using namespace MoleCuilder; | 
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|  | 54 |  | 
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| [1fd675] | 55 | // and construct the stuff | 
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|  | 56 | #include "LinearInterpolationofTrajectoriesAction.def" | 
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|  | 57 | #include "Action_impl_pre.hpp" | 
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|  | 58 | /** =========== define the function ====================== */ | 
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| [b5b01e] | 59 | ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() { | 
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| [f10b0c] | 60 | LOG(0, "STATUS: Linear interpolation between configuration " << params.start.get() << " and " << params.end.get() << "." << endl); | 
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|  | 61 | ASSERT(params.end.get() > params.start.get(), "MoleculeLinearInterpolationofTrajectoriesAction() - start step greater than end step."); | 
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| [20943b] | 62 | AtomSetMixin<std::vector<atom*> > set(World::getInstance().getSelectedAtoms()); | 
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| [f10b0c] | 63 | LinearInterpolationBetweenSteps<std::vector<atom*> > LinearInterpolate(set,(unsigned int)(params.interpolation_steps.get())); | 
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|  | 64 | LinearInterpolate(params.start.get(), params.end.get(), params.IdMapping.get()); | 
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| [eb33c4] | 65 | LOG(0, "STATUS: done." << endl); | 
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| [20943b] | 66 |  | 
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| [620fe5] | 67 | return Action::success; | 
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| [97ebf8] | 68 | } | 
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|  | 69 |  | 
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| [b5b01e] | 70 | ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(ActionState::ptr _state) { | 
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| [97ebf8] | 71 | //  MoleculeLinearInterpolationofTrajectoriesState *state = assert_cast<MoleculeLinearInterpolationofTrajectoriesState*>(_state.get()); | 
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|  | 72 |  | 
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|  | 73 | //  string newName = state->mol->getName(); | 
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|  | 74 | //  state->mol->setName(state->lastName); | 
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|  | 75 |  | 
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| [26b4d62] | 76 | STATUS("Undo of MoleculeLinearInterpolationofTrajectoriesAction not implemented."); | 
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| [97ebf8] | 77 | return Action::failure; | 
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|  | 78 | } | 
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|  | 79 |  | 
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| [b5b01e] | 80 | ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(ActionState::ptr _state){ | 
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| [97ebf8] | 81 | // Undo and redo have to do the same for this action | 
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|  | 82 | return performUndo(_state); | 
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|  | 83 | } | 
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|  | 84 |  | 
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|  | 85 | bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() { | 
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|  | 86 | return false; | 
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|  | 87 | } | 
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|  | 88 |  | 
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|  | 89 | bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() { | 
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|  | 90 | return false; | 
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|  | 91 | } | 
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| [1fd675] | 92 | /** =========== end of function ====================== */ | 
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