/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2014 Frederik Heber. 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 . */ /* * MirrorAction.cpp * * Created on: Sep 10, 2014 * 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/Plane.hpp" #include "LinearAlgebra/Vector.hpp" #include "CodePatterns/Verbose.hpp" #include "World.hpp" #include #include #include #include "Actions/AtomAction/MirrorAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "MirrorAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr AtomMirrorAction::performCall() { Box &domain = World::getInstance().getDomain(); std::vector selectedAtoms = World::getInstance().getSelectedAtoms(); Plane *MirrorPlane = NULL; std::vector::iterator iter = selectedAtoms.begin(); try { MirrorPlane = new Plane(params.normal.get(), params.offset.get()); for (; iter != selectedAtoms.end(); ++iter) { (*iter)->setPosition(MirrorPlane->mirrorVector((*iter)->getPosition())); if (params.periodic.get()) (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); } } catch( LinearAlgebraException &e) { // flip back for (std::vector::iterator undoiter = selectedAtoms.begin(); undoiter != iter; ++undoiter) (*iter)->setPosition(MirrorPlane->mirrorVector((*iter)->getPosition())); delete MirrorPlane; return Action::failure; } delete MirrorPlane; return ActionState::ptr(new AtomMirrorState(selectedAtoms, params)); } ActionState::ptr AtomMirrorAction::performUndo(ActionState::ptr _state) { AtomMirrorState *state = assert_cast(_state.get()); Box &domain = World::getInstance().getDomain(); Plane MirrorPlane(state->params.normal.get(), state->params.offset.get()); for (std::vector::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { (*iter)->setPosition(MirrorPlane.mirrorVector((*iter)->getPosition())); if (state->params.periodic.get()) (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); } return ActionState::ptr(_state); } ActionState::ptr AtomMirrorAction::performRedo(ActionState::ptr _state){ AtomMirrorState *state = assert_cast(_state.get()); Box &domain = World::getInstance().getDomain(); Plane MirrorPlane(state->params.normal.get(), state->params.offset.get()); for (std::vector::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { (*iter)->setPosition(MirrorPlane.mirrorVector((*iter)->getPosition())); if (state->params.periodic.get()) (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition())); } return ActionState::ptr(_state); } bool AtomMirrorAction::canUndo() { return true; } bool AtomMirrorAction::shouldUndo() { return true; } /** =========== end of function ====================== */