mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 08:38:23 +01:00
11431ae291
need to check result. changed SurfComp.h SurfaceComp.h changed SurfComp.cxx SurfaceComp.cxx changed SurfCharge.h SurfaceCharge.h changed SurfCharge.cxx SurfaceCharge.cxx Added Dictionary.cxx and Dictionary.h git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@894 1feff8c3-07ed-0310-ac33-dd36852eb9cd
61 lines
1.4 KiB
C++
61 lines
1.4 KiB
C++
#if !defined(SURFACE_H_INCLUDED)
|
|
#define SURFACE_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 "SurfaceComp.h"
|
|
#include "SurfaceCharge.h"
|
|
|
|
class cxxSurface : public cxxNumKeyword
|
|
{
|
|
|
|
public:
|
|
cxxSurface();
|
|
cxxSurface(struct surface *);
|
|
~cxxSurface();
|
|
|
|
struct surface *cxxSurface2surface();
|
|
|
|
struct surf_comp *cxxSurfaceComp2surf_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);
|
|
|
|
#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<cxxSurfaceComp> surfaceComps;
|
|
std::list<cxxSurfaceCharge> surfaceCharges;
|
|
bool diffuse_layer;
|
|
bool edl;
|
|
bool only_counter_ions;
|
|
bool donnan;
|
|
double thickness;
|
|
//double debye_units;
|
|
//int transport;
|
|
|
|
public:
|
|
//static std::map<int, cxxSurface>& map;
|
|
|
|
};
|
|
|
|
#endif // !defined(SURFACE_H_INCLUDED)
|