| 1 | /* | 
|---|
| 2 | * Project: MoleCuilder | 
|---|
| 3 | * Description: creates and alters molecular systems | 
|---|
| 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
|---|
| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
|---|
| 6 | */ | 
|---|
| 7 |  | 
|---|
| 8 | /* | 
|---|
| 9 | * LinearInterpolationofTrajectoriesAction.cpp | 
|---|
| 10 | * | 
|---|
| 11 | *  Created on: May 10, 2010 | 
|---|
| 12 | *      Author: heber | 
|---|
| 13 | */ | 
|---|
| 14 |  | 
|---|
| 15 | // include config.h | 
|---|
| 16 | #ifdef HAVE_CONFIG_H | 
|---|
| 17 | #include <config.h> | 
|---|
| 18 | #endif | 
|---|
| 19 |  | 
|---|
| 20 | #include "CodePatterns/MemDebug.hpp" | 
|---|
| 21 |  | 
|---|
| 22 | #include "Atom/atom.hpp" | 
|---|
| 23 | #include "Helpers/defs.hpp" | 
|---|
| 24 | #include "CodePatterns/Assert.hpp" | 
|---|
| 25 | #include "CodePatterns/Log.hpp" | 
|---|
| 26 | #include "CodePatterns/Verbose.hpp" | 
|---|
| 27 | #include "Dynamics/LinearInterpolationBetweenSteps.hpp" | 
|---|
| 28 | #include "molecule.hpp" | 
|---|
| 29 | #include "World.hpp" | 
|---|
| 30 |  | 
|---|
| 31 | #include <vector> | 
|---|
| 32 | #include <iostream> | 
|---|
| 33 | #include <fstream> | 
|---|
| 34 | #include <string> | 
|---|
| 35 |  | 
|---|
| 36 | #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp" | 
|---|
| 37 |  | 
|---|
| 38 | using namespace MoleCuilder; | 
|---|
| 39 |  | 
|---|
| 40 | // and construct the stuff | 
|---|
| 41 | #include "LinearInterpolationofTrajectoriesAction.def" | 
|---|
| 42 | #include "Action_impl_pre.hpp" | 
|---|
| 43 | /** =========== define the function ====================== */ | 
|---|
| 44 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() { | 
|---|
| 45 | LOG(0, "STATUS: Linear interpolation between configuration " << params.start << " and " << params.end << "." << endl); | 
|---|
| 46 | ASSERT(params.end > params.start, "MoleculeLinearInterpolationofTrajectoriesAction() - start step greater than end step."); | 
|---|
| 47 | AtomSetMixin<std::vector<atom*> > set(World::getInstance().getSelectedAtoms()); | 
|---|
| 48 | LinearInterpolationBetweenSteps<std::vector<atom*> > LinearInterpolate(set,(unsigned int)(params.interpolation_steps)); | 
|---|
| 49 | LinearInterpolate(params.start, params.end, params.IdMapping); | 
|---|
| 50 | LOG(0, "STATUS: done." << endl); | 
|---|
| 51 |  | 
|---|
| 52 | return Action::success; | 
|---|
| 53 | } | 
|---|
| 54 |  | 
|---|
| 55 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(Action::state_ptr _state) { | 
|---|
| 56 | //  MoleculeLinearInterpolationofTrajectoriesState *state = assert_cast<MoleculeLinearInterpolationofTrajectoriesState*>(_state.get()); | 
|---|
| 57 |  | 
|---|
| 58 | //  string newName = state->mol->getName(); | 
|---|
| 59 | //  state->mol->setName(state->lastName); | 
|---|
| 60 |  | 
|---|
| 61 | return Action::failure; | 
|---|
| 62 | } | 
|---|
| 63 |  | 
|---|
| 64 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(Action::state_ptr _state){ | 
|---|
| 65 | // Undo and redo have to do the same for this action | 
|---|
| 66 | return performUndo(_state); | 
|---|
| 67 | } | 
|---|
| 68 |  | 
|---|
| 69 | bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() { | 
|---|
| 70 | return false; | 
|---|
| 71 | } | 
|---|
| 72 |  | 
|---|
| 73 | bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() { | 
|---|
| 74 | return false; | 
|---|
| 75 | } | 
|---|
| 76 | /** =========== end of function ====================== */ | 
|---|