/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2010-2012 University of Bonn. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * BoundInBoxAction.cpp * * Created on: May 8, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include #include "CodePatterns/Log.hpp" #include "molecule.hpp" #include "World.hpp" #include #include #include #include "Actions/WorldAction/BoundInBoxAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "BoundInBoxAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr WorldBoundInBoxAction::performCall() { // create undo state std::vector< boost::shared_ptr > OldPositions; std::vector AllMolecules = World::getInstance().getAllMolecules(); for (vector::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) { for(molecule::const_iterator AtomRunner = (*MolRunner)->begin(); AtomRunner != (*MolRunner)->end(); ++AtomRunner) { OldPositions.push_back( boost::shared_ptr(new Vector( (*AtomRunner)->getPosition() )) ); } } WorldBoundInBoxState *undoState = new WorldBoundInBoxState(OldPositions, params); // center for (std::vector::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) { (*MolRunner)->BoundInBox(); } return Action::state_ptr(undoState); } Action::state_ptr WorldBoundInBoxAction::performUndo(Action::state_ptr _state) { WorldBoundInBoxState *state = assert_cast(_state.get()); // place atoms on old positions std::vector< boost::shared_ptr >::const_iterator OldPositionsIter = state->OldPositions.begin(); std::vector AllMolecules = World::getInstance().getAllMolecules(); for (std::vector::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) { for(molecule::iterator AtomRunner = (*MolRunner)->begin(); AtomRunner != (*MolRunner)->end(); ++AtomRunner) { ASSERT(OldPositionsIter != state->OldPositions.end(), "WorldBoundInBoxAction::performUndo() - too few positions stored in UndoState."); (*AtomRunner)->setPosition(**(OldPositionsIter++)); } } return Action::state_ptr(_state); } Action::state_ptr WorldBoundInBoxAction::performRedo(Action::state_ptr _state){ // WorldBoundInBoxState *state = assert_cast(_state.get()); // center std::vector AllMolecules = World::getInstance().getAllMolecules(); for (std::vector::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) { (*MolRunner)->BoundInBox(); } return Action::state_ptr(_state); } bool WorldBoundInBoxAction::canUndo() { return true; } bool WorldBoundInBoxAction::shouldUndo() { return true; } /** =========== end of function ====================== */