| [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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| [eb33c4] | 45 | LOG(0, "STATUS: Linear interpolation between configuration " << params.start << " and " << params.end << "." << endl); | 
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| [20943b] | 46 | ASSERT(params.end > params.start, "MoleculeLinearInterpolationofTrajectoriesAction() - start step greater than end step."); | 
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|  | 47 | AtomSetMixin<std::vector<atom*> > set(World::getInstance().getSelectedAtoms()); | 
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| [eb33c4] | 48 | LinearInterpolationBetweenSteps<std::vector<atom*> > LinearInterpolate(set,(unsigned int)(params.interpolation_steps)); | 
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|  | 49 | LinearInterpolate(params.start, params.end, params.IdMapping); | 
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|  | 50 | LOG(0, "STATUS: done." << endl); | 
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| [20943b] | 51 |  | 
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| [620fe5] | 52 | return Action::success; | 
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| [97ebf8] | 53 | } | 
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|  | 54 |  | 
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|  | 55 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(Action::state_ptr _state) { | 
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|  | 56 | //  MoleculeLinearInterpolationofTrajectoriesState *state = assert_cast<MoleculeLinearInterpolationofTrajectoriesState*>(_state.get()); | 
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|  | 57 |  | 
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|  | 58 | //  string newName = state->mol->getName(); | 
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|  | 59 | //  state->mol->setName(state->lastName); | 
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|  | 60 |  | 
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|  | 61 | return Action::failure; | 
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|  | 62 | } | 
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|  | 63 |  | 
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|  | 64 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(Action::state_ptr _state){ | 
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|  | 65 | // Undo and redo have to do the same for this action | 
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|  | 66 | return performUndo(_state); | 
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|  | 67 | } | 
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|  | 68 |  | 
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|  | 69 | bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() { | 
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|  | 70 | return false; | 
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|  | 71 | } | 
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|  | 72 |  | 
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|  | 73 | bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() { | 
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|  | 74 | return false; | 
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|  | 75 | } | 
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| [1fd675] | 76 | /** =========== end of function ====================== */ | 
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