mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
9d4bb2e173
Also no MERGE_FILES in PHREEQC Not sure about deallocates in worker_closef git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7045 1feff8c3-07ed-0310-ac33-dd36852eb9cd
73 lines
2.0 KiB
C++
73 lines
2.0 KiB
C++
#if !defined(EXCHANGE_H_INCLUDED)
|
|
#define EXCHANGE_H_INCLUDED
|
|
|
|
#include <cassert> // assert
|
|
#include <map> // std::map
|
|
#include <string> // std::string
|
|
#include <list> // std::list
|
|
#include "NumKeyword.h"
|
|
#include "ExchComp.h"
|
|
#include "NameDouble.h"
|
|
#include "PHRQ_base.h"
|
|
class cxxMix;
|
|
|
|
class cxxExchange:public cxxNumKeyword
|
|
{
|
|
|
|
public:
|
|
cxxExchange(PHRQ_io *io=NULL);
|
|
cxxExchange(const std::map < int, cxxExchange > &exchange_map,
|
|
cxxMix & mx, int n_user, PHRQ_io *io=NULL);
|
|
~cxxExchange();
|
|
|
|
void dump_raw(std::ostream & s_oss, unsigned int indent, int *n_out=NULL) const;
|
|
|
|
void read_raw(CParser & parser, bool check = true);
|
|
|
|
bool Get_related_phases(void) const;
|
|
|
|
bool Get_related_rate(void) const;
|
|
|
|
bool Get_pitzer_exchange_gammas() const;
|
|
void Set_pitzer_exchange_gammas(bool b);
|
|
|
|
bool Get_new_def(void) const {return this->new_def;}
|
|
void Set_new_def(bool tf) {this->new_def = tf;}
|
|
bool Get_solution_equilibria(void) const {return this->solution_equilibria;}
|
|
void Set_solution_equilibria(bool tf) {this->solution_equilibria = tf;}
|
|
int Get_n_solution(void) const {return this->n_solution;}
|
|
void Set_n_solution(int i) {this->n_solution = i;}
|
|
cxxExchComp *Find_comp(std::string s);
|
|
std::vector<cxxExchComp> & Get_exchange_comps(void) {return this->exchange_comps;}
|
|
const std::vector<cxxExchComp> & Get_exchange_comps(void)const {return this->exchange_comps;}
|
|
void Set_exchange_comps(std::vector<cxxExchComp> &c) {this->exchange_comps = c;}
|
|
|
|
void Sort_comps(void);
|
|
void totalize();
|
|
|
|
const cxxNameDouble & Get_totals() const;
|
|
|
|
protected:
|
|
void add(const cxxExchange & addee, LDBLE extensive);
|
|
// not written
|
|
void dump_xml(std::ostream & os, unsigned int indent = 0) const;
|
|
|
|
protected:
|
|
// EXCHANGE_MODIFY candidates
|
|
std::vector<cxxExchComp> exchange_comps;
|
|
bool pitzer_exchange_gammas;
|
|
|
|
// EXCHANGE_MODIFY candidates with new_def=true
|
|
bool new_def;
|
|
bool solution_equilibria;
|
|
int n_solution;
|
|
|
|
// exchange workspace variables
|
|
cxxNameDouble totals;
|
|
const static std::vector < std::string > vopts;
|
|
public:
|
|
|
|
};
|
|
|
|
#endif // !defined(EXCHANGE_H_INCLUDED)
|