iphreeqc/Exchange.h

#if !defined(EXCHANGE_H_INCLUDED)
#define EXCHANGE_H_INCLUDED

#define EXTERNAL extern
#include "global.h"
#include <cassert>				// assert
#include <map>					// std::map
#include <string>				// std::string
#include <list>					// std::list

#include "ExchComp.h"
#include "cxxMix.h"

class cxxExchange:public cxxNumKeyword
{

  public:
	cxxExchange();
	cxxExchange(int n_user);
	  cxxExchange(struct exchange *);
	  cxxExchange(const std::map < int, cxxExchange > &exchange_map,
				  cxxMix & mx, int n_user);
	 ~cxxExchange();

	struct exchange *cxxExchange2exchange();

	struct exch_comp *cxxExchComp2exch_comp();

	void dump_raw(std::ostream & s_oss, unsigned int indent) const;

	void read_raw(CParser & parser);

	bool get_related_phases(void);

	bool get_related_rate(void);

	bool get_pitzer_exchange_gammas()
	{
		return this->pitzer_exchange_gammas;
	}
	void set_pitzer_exchange_gammas(bool b)
	{
		this->pitzer_exchange_gammas = b;
	}

	std::list < cxxExchComp > &get_exchComps(void)
	{
		return (this->exchComps);
	}
	void totalize();

	const cxxNameDouble & get_totals() const
	{
		return totals;
	};

#ifdef USE_MPI
	void mpi_pack(std::vector < int >&ints, std::vector < double >&doubles);
	void mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
#endif
  private:
	void add(const cxxExchange & addee, double extensive);
	// not written
	void dump_xml(std::ostream & os, unsigned int indent = 0) const;

  protected:
	std::list < cxxExchComp > exchComps;
	bool pitzer_exchange_gammas;
	cxxNameDouble totals;
  public:

};

#endif // !defined(EXCHANGE_H_INCLUDED)