/*
* 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;
}