/* * 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 . */ /* * TranslateAction.cpp * * Created on: May 10, 2010 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif //#include "CodePatterns/MemDebug.hpp" #include "CodePatterns/Log.hpp" #include "Atom/atom.hpp" #include "LinearAlgebra/Vector.hpp" #include "CodePatterns/Verbose.hpp" #include "World.hpp" #include #include #include #include "Actions/AtomAction/TranslateAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "TranslateAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr AtomTranslateAction::performCall() { Box &domain = World::getInstance().getDomain(); std::vector selectedAtoms = World::getInstance().getSelectedAtoms(); // TODO: use AtomSet::translate for (std::vector::iterator iter = selectedAtoms.begin(); iter != selectedAtoms.end(); ++iter) { *(*iter) += params.x.get(); if (params.periodic.get()) (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); } return ActionState::ptr(new AtomTranslateState(selectedAtoms, params)); } ActionState::ptr AtomTranslateAction::performUndo(ActionState::ptr _state) { AtomTranslateState *state = assert_cast(_state.get()); Box &domain = World::getInstance().getDomain(); for (std::vector::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { *(*iter) -= state->params.x.get(); if (state->params.periodic.get()) (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); } return ActionState::ptr(_state); } ActionState::ptr AtomTranslateAction::performRedo(ActionState::ptr _state){ AtomTranslateState *state = assert_cast(_state.get()); Box &domain = World::getInstance().getDomain(); for (std::vector::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { *(*iter) += state->params.x.get(); if (state->params.periodic.get()) (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); } return ActionState::ptr(_state); } bool AtomTranslateAction::canUndo() { return true; } bool AtomTranslateAction::shouldUndo() { return true; } /** =========== end of function ====================== */