/***************************************************************************
                          dynamip_common.h  -  description
                             -------------------
    begin                : Thu Sep 16 04:20:04 2004
    copyright            : (C) 2002 by Cavalli Andrea
    author               : $Author$
    date                 : $Date$
    id                   : $Id$
    email                : cavalli@bioc.unizh.ch
**************************************************************************/
/***************************************************************************
 *                                                                         *
 *   This program 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.                                   *
 *                                                                         *
 ***************************************************************************/
#ifndef __DYNAMIP_COMMON__
#define __DYNAMIP_COMMON__

#include <almost.h>
#include <almost.h>
#include <coor.h>
#include <mdb.h>
#include <molecules/molecules.h>
#include <sstream>
#include <forcefield/go/defgoforcefield.h>
#include <forcefield/go/defigoforcefield.h>
#include <dynamip/dynamipoptions.h>
#include <dynamip/dynamipdata.h>
#include <metropolis/metropolis.h>

using namespace Almost;

template<typename float_type>
inline string to_string(const DynaMIPOptions<float_type> & opt){
  stringstream s;
  s<<opt;
  return s.str();
}

template<typename FF, int i>
struct OperatorHelperDynaMIPSolv;

template<typename FF>
struct OperatorHelperDynaMIPSolv<FF , 0> {
  template<class DynaMIPOptionsType>
  static typename FF::FloatType helper(const DynaMIPOptionsType  & data){
    //    cout<<"NO SOLV"<<endl;
    return 0;
  }
};

template<class FF>
struct OperatorHelperDynaMIPSolv<FF, 1> {
  template<typename DynaMIPDataType>
  static typename FF::FloatType helper(const DynaMIPDataType & data){
    //    cout<<"SOLV"<<endl;
    return data.ff_data.solv_energy;
  }
};

template<class FF>
struct OperatorHelperDynaMIPSolv<FF, 2> {
  template<typename DynaMIPDataType>
  static typename FF::FloatType helper(const DynaMIPDataType & data){
    //    cout<<"SOLV"<<endl;
    return data.ff_data.solv_energy;
  }
};

template<int i>
struct OperatorHelperDynaMIPUb;

template<>
struct OperatorHelperDynaMIPUb<0> {
  template<class FF>
  static typename FF::FloatType helper(const DynaMIPDataRep<FF>  & data){
    //    cout<<"NO UB"<<endl;
    return 0;
  }
};

template<>
struct OperatorHelperDynaMIPUb<1> {
  template<class FF>
  static typename FF::FloatType helper(const DynaMIPDataRep<FF>  & data){
    //    cout<<"UB"<<endl;
    return data.ff_data.ub_energy;
  }
};
 

template<typename FF, int i>
struct OperatorHelperDynaMIPElec;

template<typename FF>
struct OperatorHelperDynaMIPElec<FF , 0> {
  template<class DynaMIPOptionsType>
  static typename FF::FloatType helper(const DynaMIPOptionsType  & data){
    //    cout<<"NO ELEC"<<endl;
    return 0;
  }
};

template<class FF>
struct OperatorHelperDynaMIPElec<FF, 1> {
  template<typename DynaMIPDataType>
  static typename FF::FloatType helper(const DynaMIPDataType & data){
    //    cout<<"ELEC"<<endl;
    return data.ff_data.elec_energy;
  }
};

template<class FF>
DynaLogStream & operator<<(DynaLogStream &log,  
			   const DynaMIPDataRep<FF> & data){

  char buff[256];
  string prmpt=Almost::DynaMIPStatPr;
  log.stream()<<prmpt;
  sprintf(buff,"%-10s | %-10s | %-10s | %-10s | %-10s\n","step","energy","renergy","mip const","const");
  log.stream()<<buff;
  log.stream()<<prmpt;
  log.stream()<<"---------------------------------------------------------\n";
  log.stream()<<prmpt;
  sprintf(buff,"%-10i   %-10.2f   %-10.2f   %-10.2f   %-10.2f\n\n",
	  data.step,
	  data.current_energy,
	  data.ff_data.energy, 
	  data.mip_const_energy,
	  data.ff_data.const_energy
	  );
  log.stream()<<buff;
  prmpt=Almost::InternalPr;
  log.stream()<<prmpt;
  sprintf(buff,"%-10s | %-10s | %-10s | %-10s | %-10s\n","step",
	  "bond","angle","dihe","imph");
  log.stream()<<buff;
  log.stream()<<prmpt;
  log.stream()<<"--------------------------------------------------------\n";
  log.stream()<<prmpt;
  sprintf(buff,"%-10i   %-10.2f   %-10.2f   %-10.2f   %-10.2f\n\n",
	  data.step,
	  data.ff_data.bond_energy,
	  data.ff_data.angle_energy,
	  data.ff_data.dihe_energy,
	  data.ff_data.imph_energy);
  log.stream()<<buff;
  prmpt=Almost::NonBondPr;
  log.stream()<<prmpt; 
  sprintf(buff,"%-10s | %-10s | %-10s | %-10s | %-10s\n","step",
	  "elec","vdw","solv","ub");
  log.stream()<<buff;
  log.stream()<<prmpt;
  log.stream()<<"--------------------------------------------------------\n";
  log.stream()<<prmpt;
  sprintf(buff,"%-10i   %-10.2f   %-10.2f   %-10.2f   %-10.2f\n\n",
	  data.step,
	   OperatorHelperDynaMIPElec<FF,FF::ELEC>::helper(data),
	  data.ff_data.vdw_energy,
	  OperatorHelperDynaMIPSolv<FF,FF::SOLV>::helper(data),
	  OperatorHelperDynaMIPUb<FF::UB>::helper(data));
  log.stream()<<buff;
  return log;
}




template<class FF>
DynaDataStream & operator<<(DynaDataStream & dat, 
			    const DynaMIPDataRep<FF> & data){
  dat.stream()<<data.step<<" "
	      <<data.current_energy<<" "
	      <<data.ff_data.energy<<" "
	      <<data.mip_const_energy<<" "
	      <<data.ff_data.const_energy<<" "
	      <<data.ff_data.bond_energy<<" "
	      <<data.ff_data.angle_energy<<" "
	      <<data.ff_data.dihe_energy<<" "
	      <<data.ff_data.imph_energy<<" "
	      <<OperatorHelperDynaMIPElec<FF,FF::ELEC>::helper(data)<<" "
	      <<data.ff_data.vdw_energy<<" "
	      <<OperatorHelperDynaMIPSolv<FF,FF::SOLV>::helper(data)<<" "
	      <<OperatorHelperDynaMIPUb<FF::UB>::helper(data)<<" "
	      <<endl;
  return dat;
}

template<>
inline string to_string(const Molecules & molecules){
  return "<Molecules>";
}

template<>
inline string to_string(const MDB & mdb){
  return "<MDB>";
}



#endif
// Local Variables:
// mode:C++
// End: