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
49 lines
1.1 KiB
C++
49 lines
1.1 KiB
C++
#if !defined(KINETICSCOMP_H_INCLUDED)
|
|
#define KINETICSCOMP_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 cxxKineticsComp
|
|
{
|
|
|
|
public:
|
|
cxxKineticsComp();
|
|
cxxKineticsComp(struct kinetics_comp *);
|
|
~cxxKineticsComp();
|
|
|
|
static struct kinetics_comp *cxxKineticsComp2kinetics_comp(std::list<cxxKineticsComp>& 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_unpack(int *ints, int *ii, double *doubles, int *dd);
|
|
void mpi_pack(std::vector<int>& ints, std::vector<double>& doubles);
|
|
#endif
|
|
protected:
|
|
char * rate_name;
|
|
cxxNameDouble namecoef;
|
|
double tol;
|
|
double m;
|
|
double m0;
|
|
double moles;
|
|
std::vector<double> d_params;
|
|
|
|
public:
|
|
|
|
};
|
|
|
|
#endif // !defined(KINETICSCOMP_H_INCLUDED)
|