mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 00:28:23 +01:00
2b76f04a8b
Moved some methods for .h to source files to avoid need for includes. Debug and Release compile. Still need to get class version working. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3868 1feff8c3-07ed-0310-ac33-dd36852eb9cd
84 lines
1.7 KiB
C++
84 lines
1.7 KiB
C++
#if !defined(SSASSEMBLAGESS_H_INCLUDED)
|
|
#define SSASSEMBLAGESS_H_INCLUDED
|
|
|
|
#include <cassert> // assert
|
|
#include <map> // std::map
|
|
#include <string> // std::string
|
|
#include <list> // std::list
|
|
#include <vector> // std::vector
|
|
|
|
#include "NameDouble.h"
|
|
|
|
class cxxSSassemblageSS
|
|
{
|
|
|
|
public:
|
|
cxxSSassemblageSS();
|
|
cxxSSassemblageSS(struct s_s *);
|
|
~cxxSSassemblageSS();
|
|
|
|
enum SS_PARAMETER_TYPE
|
|
{
|
|
SS_PARM_NONE = -1,
|
|
SS_PARM_A0_A1 = 0,
|
|
SS_PARM_GAMMAS = 1,
|
|
SS_PARM_DIST_COEF = 2,
|
|
SS_PARM_MISCIBILITY = 3,
|
|
SS_PARM_SPINODAL = 4,
|
|
SS_PARM_CRITICAL = 5,
|
|
SS_PARM_ALYOTROPIC = 6,
|
|
SS_PARM_DIM_GUGG = 7,
|
|
SS_PARM_WALDBAUM = 8,
|
|
SS_PARM_MARGULES = 9
|
|
};
|
|
|
|
static struct s_s *cxxSSassemblageSS2s_s(std::map < std::string, cxxSSassemblageSS >
|
|
&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, bool check = true);
|
|
|
|
const std::string &get_name() const
|
|
{
|
|
return this->name;
|
|
}
|
|
void set_name (const char * s)
|
|
{
|
|
if (s != NULL)
|
|
this->name = std::string(s);
|
|
else
|
|
this->name.clear();
|
|
}
|
|
|
|
void totalize();
|
|
const cxxNameDouble & get_totals() const
|
|
{
|
|
return (this->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
|
|
|
|
void add(const cxxSSassemblageSS & comp, double extensive);
|
|
void multiply(double extensive);
|
|
|
|
protected:
|
|
std::string name;
|
|
cxxNameDouble comps;
|
|
double a0, a1;
|
|
double ag0, ag1;
|
|
bool miscibility;
|
|
double xb1, xb2;
|
|
cxxNameDouble totals;
|
|
|
|
public:
|
|
|
|
};
|
|
|
|
#endif // !defined(SSASSEMBLAGESS_H_INCLUDED)
|