[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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[bcf653] | 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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[97ebf8] | 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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[bf3817] | 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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[ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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[112b09] | 21 |
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[6f0841] | 22 | #include "Atom/atom.hpp"
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[e4fe8d] | 23 | #include "Helpers/defs.hpp"
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[20943b] | 24 | #include "CodePatterns/Assert.hpp"
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[ad011c] | 25 | #include "CodePatterns/Log.hpp"
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| 26 | #include "CodePatterns/Verbose.hpp"
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[20943b] | 27 | #include "Dynamics/LinearInterpolationBetweenSteps.hpp"
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| 28 | #include "molecule.hpp"
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[1a3c26] | 29 | #include "World.hpp"
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[97ebf8] | 30 |
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[20943b] | 31 | #include <vector>
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[97ebf8] | 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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[1fd675] | 36 | #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
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[620fe5] | 37 |
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[ce7fdc] | 38 | using namespace MoleCuilder;
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| 39 |
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[1fd675] | 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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[97ebf8] | 44 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() {
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[1fd675] | 45 | // obtain information
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| 46 | getParametersfromValueStorage();
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[97ebf8] | 47 |
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[eb33c4] | 48 | LOG(0, "STATUS: Linear interpolation between configuration " << params.start << " and " << params.end << "." << endl);
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[20943b] | 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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[eb33c4] | 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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[20943b] | 54 |
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[620fe5] | 55 | return Action::success;
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[97ebf8] | 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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[1fd675] | 79 | /** =========== end of function ====================== */
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