/* * 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 . */ /* * RotateToPrincipalAxisSystemAction.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 "CodePatterns/Verbose.hpp" #include "LinearAlgebra/Line.hpp" #include "LinearAlgebra/RealSpaceMatrix.hpp" #include "LinearAlgebra/Vector.hpp" #include "Element/element.hpp" #include "molecule.hpp" #include #include #include #include "Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "RotateToPrincipalAxisSystemAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr MoleculeRotateToPrincipalAxisSystemAction::performCall() { molecule *mol = NULL; for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { mol = iter->second; LOG(0, "Converting to prinicipal axis system."); RealSpaceMatrix InertiaTensor = mol->getInertiaTensor(); mol->RotateToPrincipalAxisSystem(params.Axis.get()); // summing anew for debugging (resulting matrix has to be diagonal!) InertiaTensor = mol->getInertiaTensor(); } return Action::success; } Action::state_ptr MoleculeRotateToPrincipalAxisSystemAction::performUndo(Action::state_ptr _state) { // MoleculeRotateToPrincipalAxisSystemState *state = assert_cast(_state.get()); // string newName = state->mol->getName(); // state->mol->setName(state->lastName); return Action::failure; } Action::state_ptr MoleculeRotateToPrincipalAxisSystemAction::performRedo(Action::state_ptr _state){ return Action::failure; } bool MoleculeRotateToPrincipalAxisSystemAction::canUndo() { return true; } bool MoleculeRotateToPrincipalAxisSystemAction::shouldUndo() { return true; } /** =========== end of function ====================== */