//****************************************************************************

//! \file tsimmain.hpp
//! \date 15-11-2004

//! \class TSimMain
//! \brief The Main class of the Simulation

//*****************************************************************************

//     This file is part of gibbsens.
//
//     gibbsens 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.
//
//     gibbsens 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 gibbsens; if not, write to the Free Software
//     Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA

//*****************************************************************************
#ifndef TSIMMAIN_HPP
#define TSIMMAIN_HPP

#include "tsimbox.hpp"

#include <gsl/gsl_rng.h>
#include <gsl/gsl_randist.h>

#include <string>
#include <sstream>
#include <fstream>
#include <iostream>

//! Builtin parameters if no param file is given
const int rN=64;//!< Builtin total number of Particles
const double rV=109.75;//!< Builtin total Volume 2*L^3
const double rT=1.;//!< Builtin Temperature
const bool rsave=true;//!< Builtin save parameter

const int rndis=8; //!< Builtin average number of particle displacements
const int rnvole=1; //!< Builtin average number of volume exchanges
const int rnpe=1; //!< Builtin average number of particle exchanges

const int routstep=1000; //!< Builtin output step
const int rpcfstep=100; //!< Builtin PCF step
const int radjstep=100; //!< Builtin stepsize adjustment interval
const int rmaxstep=1000000; //!< Builtin maximum number of steps to do

const bool rrestart=false;//!< Builtin restart parameter
const bool radjuststeps=true;//!< Builtin adjust parameter

class TSimMain
{
	TSimBox *Box1;//!< One of the Simulation Boxes
	TSimBox *Box2;//!< The other one of the Simulation Boxes

	gsl_rng *gslrand1; //!< the gsl random number generator

	double T;//!< the Temperature in units of kB
	double Vtot;//!< total Volume of both boxes
	int Ntot;//!< the total number of Particles = 2* 4*n^3
	bool save;//!< if we should save the stuff whenever possible

	int outstep; //!< output step
	int pcfstep; //!< PCF step
	int adjstep; //!< adjustment interval
	int maxstep; //!< maximum number of steps to do

	bool restart;//!< restart parameter
	bool adjuststeps;//!< adjust parameter

	//! Simulation parameters
	int ndis; //!< average number of particle displacements
	int nvole; //!< average number of volume exchanges
	int npe; //!< average number of particle exchanges

	//! \brief load parameters for the simulation
	//! \param fname name of the file to load from
	void loadParams( std::string fname);

public:

	//! \brief standard constructor
	TSimMain();
	//! \brief standard destructor
	~TSimMain();

	//! \brief Initialize everything important
	//! \param argc number of arguments
	//! \param argv the aruments
	void Init( int argc, char ** argv);

	// \brief do the work
	int Execute();
};

#endif //TSIMMAIN_HPP