iphreeqc/Exchange.h
David L Parkhurst 7830f46d8d Merged 1727 through 2055 from orchestra/phreeqcpp_for_orch into phreeeqcpp trunk
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2057 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-05-30 23:43:59 +00:00

70 lines
1.6 KiB
C++

#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(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)