mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 00:28:23 +01:00
1848045bd9
Now multiply to account for changes in pore volume due to storage. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2098 1feff8c3-07ed-0310-ac33-dd36852eb9cd
122 lines
3.5 KiB
C++
122 lines
3.5 KiB
C++
#if !defined(SOLUTION_H_INCLUDED)
|
|
#define SOLUTION_H_INCLUDED
|
|
|
|
#include "NumKeyword.h"
|
|
#include "SolutionIsotopeList.h"
|
|
#include "NameDouble.h"
|
|
#include "cxxMix.h"
|
|
|
|
//#define EXTERNAL extern
|
|
//#include "global.h"
|
|
#include <cassert> // assert
|
|
#include <map> // std::map
|
|
#include <string> // std::string
|
|
#include <vector> // std::vector
|
|
#include <iostream>
|
|
|
|
#include "char_star.h"
|
|
|
|
class cxxSolution : public cxxNumKeyword
|
|
{
|
|
|
|
public:
|
|
cxxSolution();
|
|
cxxSolution(struct solution *);
|
|
cxxSolution(int n_user);
|
|
cxxSolution(const std::map<int, cxxSolution> &solution_map, cxxMix &mx, int n_user);
|
|
~cxxSolution();
|
|
|
|
//static cxxSolution& read(CParser& parser);
|
|
|
|
double get_tc()const {return this->tc;}
|
|
void set_tc(double tc) {this->tc = tc;}
|
|
|
|
double get_ph()const {return this->ph;}
|
|
void set_ph(double pH) {this->ph = pH;}
|
|
|
|
double get_pe()const {return this->pe;}
|
|
void set_pe(double pe) {this->pe =pe;}
|
|
|
|
double get_mu()const {return this->mu;}
|
|
void set_mu(double mu) {this->mu = mu;}
|
|
|
|
double get_ah2o()const {return this->ah2o;}
|
|
void set_ah2o(double ah2o) {this->ah2o = ah2o;}
|
|
|
|
double get_total_h()const {return this->total_h;}
|
|
void set_total_h(double total_h) {this->total_h = total_h;}
|
|
|
|
double get_total_o()const {return this->total_o;}
|
|
void set_total_o(double total_o) {this->total_o = total_o;}
|
|
|
|
double get_cb()const {return this->cb;}
|
|
void set_cb(double cb) {this->cb = cb;}
|
|
|
|
double get_mass_water()const {return this->mass_water;}
|
|
void set_mass_water(long double mass_water) {this->mass_water = mass_water;}
|
|
|
|
double get_total_alkalinity()const {return this->total_alkalinity;}
|
|
void set_total_alkalinity(double total_alkalinity) {this->total_alkalinity = total_alkalinity;}
|
|
|
|
double get_total(char *string)const;
|
|
double get_total_element(char *string)const;
|
|
void set_total(char *string, double value);
|
|
|
|
void set_totals(cxxNameDouble &nd) {this->totals = nd; this->totals.type = cxxNameDouble::ND_ELT_MOLES;}
|
|
void clear_totals() {this->totals.clear();}
|
|
|
|
|
|
double get_master_activity(char *string)const;
|
|
void set_master_activity(char *string, double value);
|
|
|
|
/*
|
|
double get_species_gamma(char *string)const;
|
|
void set_species_gamma(char *string, double value);
|
|
|
|
double get_isotope(char *string)const;
|
|
void set_isotope(char *string, double value);
|
|
*/
|
|
|
|
struct solution *cxxSolution2solution();
|
|
|
|
void dump_raw(std::ostream& s_oss, unsigned int indent)const;
|
|
void write_orchestra(std::ostream& headings, std::ostream& input_data)const;
|
|
|
|
void read_raw(CParser& parser);
|
|
void multiply(double extensive);
|
|
|
|
|
|
#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);
|
|
void mpi_send(int task_number);
|
|
void mpi_recv(int task_number);
|
|
#endif
|
|
|
|
private:
|
|
void zero();
|
|
void add(const cxxSolution &addee, double extensive);
|
|
// not checked
|
|
void dump_xml(std::ostream& os, unsigned int indent = 0)const;
|
|
|
|
protected:
|
|
double tc;
|
|
double ph;
|
|
double pe;
|
|
double mu;
|
|
double ah2o;
|
|
double total_h;
|
|
double total_o;
|
|
double cb;
|
|
double mass_water;
|
|
double total_alkalinity;
|
|
cxxNameDouble totals;
|
|
//std::list<cxxSolutionIsotope> isotopes;
|
|
cxxNameDouble master_activity;
|
|
cxxNameDouble species_gamma;
|
|
cxxSolutionIsotopeList isotopes;
|
|
|
|
};
|
|
|
|
#endif // !defined(SOLUTION_H_INCLUDED)
|