mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 00:28:23 +01:00
d54c04039a
surface is completed but needs testing. SS and kinetics need to have reread of components implemented for MODIFY option. gas_phase may be done, needs to be tested. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3726 1feff8c3-07ed-0310-ac33-dd36852eb9cd
64 lines
1.5 KiB
C++
64 lines
1.5 KiB
C++
#if !defined(CXXKINETICS_H_INCLUDED)
|
|
#define CXXKINETICS_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 "KineticsComp.h"
|
|
#include "cxxMix.h"
|
|
|
|
class cxxKinetics:public cxxNumKeyword
|
|
{
|
|
|
|
public:
|
|
cxxKinetics();
|
|
cxxKinetics(struct kinetics *);
|
|
cxxKinetics(const std::map < int, cxxKinetics > &entity_map, cxxMix & mx,
|
|
int n_user);
|
|
~cxxKinetics();
|
|
|
|
struct kinetics *cxxKinetics2kinetics();
|
|
|
|
struct kinetics_comp *cxxKineticsComp2kinetics_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 check = true);
|
|
|
|
bool get_related_phases(void);
|
|
|
|
bool get_related_rate(void);
|
|
|
|
#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
|
|
private:
|
|
void add(const cxxKinetics & addee, double extensive);
|
|
|
|
protected:
|
|
std::map < std::string, cxxKineticsComp > kineticsComps;
|
|
std::vector < double >steps;
|
|
cxxNameDouble totals;
|
|
double step_divide;
|
|
int rk;
|
|
int bad_step_max;
|
|
bool use_cvode;
|
|
int cvode_steps;
|
|
int cvode_order;
|
|
public:
|
|
//static std::map<int, cxxKinetics>& map;
|
|
|
|
};
|
|
|
|
#endif // !defined(CXXKINETICS_H_INCLUDED)
|