mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 08:38:23 +01:00
07d5fa7413
removed char * and used std::string's and std::map's git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3847 1feff8c3-07ed-0310-ac33-dd36852eb9cd
62 lines
1.4 KiB
C++
62 lines
1.4 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
|
|
|
|
class cxxKineticsComp
|
|
{
|
|
|
|
public:
|
|
cxxKineticsComp();
|
|
cxxKineticsComp(struct kinetics_comp *);
|
|
~cxxKineticsComp();
|
|
|
|
static struct kinetics_comp *cxxKineticsComp2kinetics_comp(std::map < std::string, 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, bool check = true);
|
|
|
|
const std::string &get_rate_name() const
|
|
{
|
|
return this->rate_name;
|
|
}
|
|
void set_rate_name(char * s)
|
|
{
|
|
if (s != NULL)
|
|
this->rate_name = std::string(s);
|
|
else
|
|
this->rate_name.clear();
|
|
}
|
|
|
|
#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
|
|
void add(const cxxKineticsComp & comp, double extensive);
|
|
void multiply(double extensive);
|
|
|
|
protected:
|
|
std::string rate_name;
|
|
cxxNameDouble namecoef; //stoichiometry of reaction
|
|
double tol;
|
|
double m;
|
|
double m0;
|
|
double moles;
|
|
std::vector < double >d_params;
|
|
|
|
public:
|
|
|
|
};
|
|
|
|
#endif // !defined(KINETICSCOMP_H_INCLUDED)
|