mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 08:38:23 +01:00
9f4eefd214
Phreeqcpp class methods. Still compiles on Debug and Release, but problem with phrq_malloc in cvdense and cvode. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
76 lines
1.9 KiB
C++
76 lines
1.9 KiB
C++
#if !defined(SURFACE_H_INCLUDED)
|
|
#define SURFACE_H_INCLUDED
|
|
|
|
#include <cassert> // assert
|
|
#include <map> // std::map
|
|
#include <string> // std::string
|
|
#include <list> // std::list
|
|
#include <vector> // std::vector
|
|
|
|
#include "NumKeyword.h"
|
|
#include "SurfaceComp.h"
|
|
#include "SurfaceCharge.h"
|
|
class cxxMix;
|
|
|
|
class cxxSurface:public cxxNumKeyword
|
|
{
|
|
|
|
public:
|
|
cxxSurface();
|
|
cxxSurface(struct surface *);
|
|
cxxSurface(PHREEQC_PTR_ARG_COMMA const std::map < int, cxxSurface > &entity_map, cxxMix & mx,
|
|
int n_user);
|
|
~cxxSurface();
|
|
|
|
//enum SURFACE_STYPE { UNKNOWN_DL, NO_EDL, DDL, CD_MUSIC };
|
|
//enum SURFACE_DL_TYPE { NO_DL, BORKOVEC_DL, DONNAN_DL } ;
|
|
//enum SURFACE_SITES_UNITS { SITES_ABSOLUTE, SITES_DENSITY } ;
|
|
|
|
struct surface *cxxSurface2surface(PHREEQC_PTR_ARG);
|
|
|
|
struct surf_comp *cxxSurfaceComp2surf_comp(PHREEQC_PTR_ARG);
|
|
|
|
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(PHREEQC_PTR_ARG_COMMA CParser & parser, bool check = true);
|
|
|
|
bool get_related_phases(void);
|
|
|
|
bool get_related_rate(void);
|
|
|
|
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
|
|
private:
|
|
void add(PHREEQC_PTR_ARG_COMMA const cxxSurface & addee, double extensive);
|
|
|
|
protected:
|
|
std::map < std::string, cxxSurfaceComp > surfaceComps;
|
|
std::map < std::string, cxxSurfaceCharge > surfaceCharges;
|
|
enum SURFACE_TYPE type;
|
|
enum DIFFUSE_LAYER_TYPE dl_type;
|
|
enum SITES_UNITS sites_units;
|
|
bool only_counter_ions;
|
|
double thickness;
|
|
double debye_lengths;
|
|
double DDL_viscosity;
|
|
double DDL_limit;
|
|
bool transport;
|
|
cxxNameDouble totals;
|
|
|
|
public:
|
|
//static std::map<int, cxxSurface>& map;
|
|
};
|
|
|
|
#endif // !defined(SURFACE_H_INCLUDED)
|