[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 | * BoundInBoxAction.cpp
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| 25 | *
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| 26 | * Created on: May 8, 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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[e670e4] | 37 | #include <boost/shared_ptr.hpp>
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| 38 |
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[ad011c] | 39 | #include "CodePatterns/Log.hpp"
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[97ebf8] | 40 | #include "molecule.hpp"
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| 41 | #include "World.hpp"
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| 42 |
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| 43 | #include <iostream>
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| 44 | #include <string>
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| 45 | #include <vector>
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| 46 |
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[1fd675] | 47 | #include "Actions/WorldAction/BoundInBoxAction.hpp"
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[805636] | 48 |
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[ce7fdc] | 49 | using namespace MoleCuilder;
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| 50 |
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[1fd675] | 51 | // and construct the stuff
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| 52 | #include "BoundInBoxAction.def"
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| 53 | #include "Action_impl_pre.hpp"
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| 54 | /** =========== define the function ====================== */
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[805636] | 55 | Action::state_ptr WorldBoundInBoxAction::performCall() {
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[e670e4] | 56 | // create undo state
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| 57 | std::vector< boost::shared_ptr<Vector> > OldPositions;
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| 58 | std::vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
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| 59 | for (vector<molecule*>::iterator MolRunner = AllMolecules.begin();
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| 60 | MolRunner != AllMolecules.end();
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| 61 | ++MolRunner) {
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| 62 | for(molecule::const_iterator AtomRunner = (*MolRunner)->begin();
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| 63 | AtomRunner != (*MolRunner)->end();
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| 64 | ++AtomRunner) {
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| 65 | OldPositions.push_back(
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| 66 | boost::shared_ptr<Vector>(new Vector(
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| 67 | (*AtomRunner)->getPosition()
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| 68 | ))
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| 69 | );
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| 70 | }
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| 71 | }
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| 72 | WorldBoundInBoxState *undoState = new WorldBoundInBoxState(OldPositions, params);
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| 73 |
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[805636] | 74 | // center
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[e670e4] | 75 | for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) {
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[805636] | 76 | (*MolRunner)->BoundInBox();
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[97ebf8] | 77 | }
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[e670e4] | 78 | return Action::state_ptr(undoState);
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[97ebf8] | 79 | }
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| 80 |
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| 81 | Action::state_ptr WorldBoundInBoxAction::performUndo(Action::state_ptr _state) {
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[e670e4] | 82 | WorldBoundInBoxState *state = assert_cast<WorldBoundInBoxState*>(_state.get());
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| 83 |
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| 84 | // place atoms on old positions
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| 85 | std::vector< boost::shared_ptr<Vector> >::const_iterator OldPositionsIter = state->OldPositions.begin();
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| 86 | std::vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
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| 87 | for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin();
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| 88 | MolRunner != AllMolecules.end();
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| 89 | ++MolRunner) {
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[59fff1] | 90 | for(molecule::iterator AtomRunner = (*MolRunner)->begin();
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[e670e4] | 91 | AtomRunner != (*MolRunner)->end();
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| 92 | ++AtomRunner) {
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| 93 | ASSERT(OldPositionsIter != state->OldPositions.end(),
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| 94 | "WorldBoundInBoxAction::performUndo() - too few positions stored in UndoState.");
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| 95 | (*AtomRunner)->setPosition(**(OldPositionsIter++));
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| 96 | }
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| 97 | }
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[97ebf8] | 98 |
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[e670e4] | 99 | return Action::state_ptr(_state);
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[97ebf8] | 100 | }
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| 101 |
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| 102 | Action::state_ptr WorldBoundInBoxAction::performRedo(Action::state_ptr _state){
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[e670e4] | 103 | // WorldBoundInBoxState *state = assert_cast<WorldBoundInBoxState*>(_state.get());
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| 104 |
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| 105 | // center
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| 106 | std::vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
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| 107 | for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin();
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| 108 | MolRunner != AllMolecules.end();
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| 109 | ++MolRunner) {
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| 110 | (*MolRunner)->BoundInBox();
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| 111 | }
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| 112 |
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| 113 | return Action::state_ptr(_state);
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[97ebf8] | 114 | }
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| 115 |
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| 116 | bool WorldBoundInBoxAction::canUndo() {
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[e670e4] | 117 | return true;
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[97ebf8] | 118 | }
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| 119 |
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| 120 | bool WorldBoundInBoxAction::shouldUndo() {
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[e670e4] | 121 | return true;
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[97ebf8] | 122 | }
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[1fd675] | 123 | /** =========== end of function ====================== */
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