iphreeqc/Exchange.h

64 lines
1.4 KiB
C++

#if !defined(EXCHANGE_H_INCLUDED)
#define EXCHANGE_H_INCLUDED
#include "NumKeyword.h"
#define EXTERNAL extern
#include "global.h"
#include <cassert> // assert
#include <map> // std::map
#include <string> // std::string
#include <list> // std::list
#include <vector> // std::vector
#include "char_star.h"
#include "ExchComp.h"
class cxxExchange : public cxxNumKeyword
{
public:
cxxExchange();
cxxExchange(struct exchange *);
~cxxExchange();
struct exchange *cxxExchange2exchange();
struct exch_comp *cxxExchComp2exch_comp();
void dump_xml(std::ostream& os, unsigned int indent = 0)const;
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);
}
#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
protected:
std::list<cxxExchComp> exchComps;
bool pitzer_exchange_gammas;
public:
//static std::map<int, cxxExchange>& map;
};
#endif // !defined(EXCHANGE_H_INCLUDED)