[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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[ad011c] | 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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[97ebf8] | 59 | Action::state_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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| 70 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(Action::state_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 | return Action::failure;
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| 77 | }
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| 78 |
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| 79 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(Action::state_ptr _state){
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| 80 | // Undo and redo have to do the same for this action
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| 81 | return performUndo(_state);
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| 82 | }
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| 83 |
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| 84 | bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() {
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| 85 | return false;
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| 86 | }
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| 87 |
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| 88 | bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() {
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| 89 | return false;
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| 90 | }
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[1fd675] | 91 | /** =========== end of function ====================== */
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