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 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * LinearInterpolationofTrajectoriesAction.cpp
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10 | *
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11 | * Created on: May 10, 2010
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12 | * Author: heber
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include "CodePatterns/MemDebug.hpp"
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21 |
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22 | #include "atom.hpp"
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23 | #include "Helpers/defs.hpp"
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24 | #include "CodePatterns/Assert.hpp"
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25 | #include "CodePatterns/Log.hpp"
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26 | #include "CodePatterns/Verbose.hpp"
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27 | #include "Dynamics/LinearInterpolationBetweenSteps.hpp"
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28 | #include "molecule.hpp"
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29 | #include "World.hpp"
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30 |
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31 | #include <vector>
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32 | #include <iostream>
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33 | #include <fstream>
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34 | #include <string>
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35 |
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36 | #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
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37 |
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38 | using namespace MoleCuilder;
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39 |
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40 | // and construct the stuff
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41 | #include "LinearInterpolationofTrajectoriesAction.def"
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42 | #include "Action_impl_pre.hpp"
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43 | /** =========== define the function ====================== */
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44 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() {
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45 | // obtain information
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46 | getParametersfromValueStorage();
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47 |
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48 | LOG(0, "STATUS: Linear interpolation between configuration " << params.start << " and " << params.end << "." << endl);
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49 | ASSERT(params.end > params.start, "MoleculeLinearInterpolationofTrajectoriesAction() - start step greater than end step.");
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50 | AtomSetMixin<std::vector<atom*> > set(World::getInstance().getSelectedAtoms());
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51 | LinearInterpolationBetweenSteps<std::vector<atom*> > LinearInterpolate(set,(unsigned int)(params.interpolation_steps));
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52 | LinearInterpolate(params.start, params.end, params.IdMapping);
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53 | LOG(0, "STATUS: done." << endl);
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54 |
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55 | return Action::success;
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56 | }
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57 |
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58 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(Action::state_ptr _state) {
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59 | // MoleculeLinearInterpolationofTrajectoriesState *state = assert_cast<MoleculeLinearInterpolationofTrajectoriesState*>(_state.get());
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60 |
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61 | // string newName = state->mol->getName();
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62 | // state->mol->setName(state->lastName);
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63 |
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64 | return Action::failure;
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65 | }
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66 |
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67 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(Action::state_ptr _state){
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68 | // Undo and redo have to do the same for this action
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69 | return performUndo(_state);
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70 | }
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71 |
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72 | bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() {
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73 | return false;
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74 | }
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75 |
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76 | bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() {
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77 | return false;
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78 | }
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79 | /** =========== end of function ====================== */
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