/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2013 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 . */ /* * getDomainVolume.cpp * * Created on: Sep 28, 2013 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "modules.hpp" #include "CodePatterns/Log.hpp" #include "Box.hpp" #include "LinearAlgebra/RealSpaceMatrix.hpp" #include "World.hpp" #include double MoleCuilder::detail::module_getDomainVolume() { // calculate volume from Box Box &B = World::getInstance().getDomain(); const RealSpaceMatrix &M = B.getM(); const double volume = M.determinant(); LOG(0, "RESULT: The current box volume is " << volume << "."); return volume; }