iphreeqc/SurfaceComp.h
David L Parkhurst 119b032594 Had not included formula_totals and formula_z in structure.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1316 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-10-16 18:46:30 +00:00

60 lines
1.4 KiB
C++

#if !defined(SURFACECOMP_H_INCLUDED)
#define SURFACECOMP_H_INCLUDED
#include "NameDouble.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"
class cxxSurfaceComp
{
public:
cxxSurfaceComp();
cxxSurfaceComp(struct surface_comp *);
~cxxSurfaceComp();
struct master *get_master();
char *get_phase_name()const {return this->phase_name;}
char *get_rate_name()const {return this->rate_name;}
static struct surface_comp *cxxSurfaceComp2surface_comp(std::list<cxxSurfaceComp>& el);
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);
#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:
char * formula;
cxxNameDouble formula_totals;
double formula_z;
double moles;
cxxNameDouble totals;
double la;
int charge_number;
double charge_balance;
char *phase_name;
double phase_proportion;
char *rate_name;
public:
};
#endif // !defined(SURFACECOMP_H_INCLUDED)