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 | * 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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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 "Atom/atom.hpp"
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38 | #include "Helpers/defs.hpp"
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39 | #include "CodePatterns/Assert.hpp"
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40 | #include "CodePatterns/Log.hpp"
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41 | #include "CodePatterns/Verbose.hpp"
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42 | #include "Dynamics/LinearInterpolationBetweenSteps.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 <vector>
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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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51 | #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
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52 |
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53 | using namespace MoleCuilder;
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54 |
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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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59 | ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() {
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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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62 | AtomSetMixin<std::vector<atom*> > set(World::getInstance().getSelectedAtoms());
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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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65 | LOG(0, "STATUS: done." << endl);
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66 |
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67 | return Action::success;
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68 | }
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69 |
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70 | ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(ActionState::ptr _state) {
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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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76 | STATUS("Undo of MoleculeLinearInterpolationofTrajectoriesAction not implemented.");
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77 | return Action::failure;
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78 | }
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79 |
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80 | ActionState::ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(ActionState::ptr _state){
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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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92 | /** =========== end of function ====================== */
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