mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 08:38:23 +01:00
b0b007ca92
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
73 lines
2.1 KiB
C++
73 lines
2.1 KiB
C++
#if !defined(PPASSEMBLAGE_H_INCLUDED)
|
|
#define PPASSEMBLAGE_H_INCLUDED
|
|
|
|
#include <cassert> // assert
|
|
#include <map> // std::map
|
|
#include <string> // std::string
|
|
#include <list> // std::list
|
|
#include <vector> // std::vector
|
|
|
|
#include "NumKeyword.h"
|
|
#include "PPassemblageComp.h"
|
|
class cxxMix;
|
|
|
|
class cxxPPassemblage:public cxxNumKeyword
|
|
{
|
|
|
|
public:
|
|
cxxPPassemblage(PHRQ_io * io=NULL);
|
|
cxxPPassemblage(const std::map < int, cxxPPassemblage > &entity_map,
|
|
cxxMix & mx, int n_user, PHRQ_io * io=NULL);
|
|
~cxxPPassemblage();
|
|
|
|
void dump_raw(std::ostream & s_oss, unsigned int indent, int *n_out=NULL) const;
|
|
|
|
void read_raw(CParser & parser, bool check = true);
|
|
|
|
const cxxNameDouble & Get_assemblage_totals() const
|
|
{
|
|
return this->assemblage_totals;
|
|
};
|
|
const cxxNameDouble & Get_eltList() const
|
|
{
|
|
return this->eltList;
|
|
};
|
|
void Set_eltList(cxxNameDouble & nd) {this->eltList = nd;}
|
|
std::map <std::string, cxxPPassemblageComp > & Get_pp_assemblage_comps()
|
|
{
|
|
return this->pp_assemblage_comps;
|
|
};
|
|
const std::map <std::string, cxxPPassemblageComp > & Get_pp_assemblage_comps() const
|
|
{
|
|
return this->pp_assemblage_comps;
|
|
};
|
|
void Set_pp_assemblage_comps(std::map <std::string, cxxPPassemblageComp > & c)
|
|
{
|
|
this->pp_assemblage_comps = c;
|
|
};
|
|
bool Get_new_def(void) const {return this->new_def;}
|
|
void Set_new_def(bool tf) {this->new_def = tf;}
|
|
|
|
cxxPPassemblageComp *Find(const std::string name);
|
|
#ifdef USE_MPI
|
|
void mpi_pack(std::vector < int >&ints, std::vector < LDBLE >&doubles);
|
|
void mpi_unpack(int *ints, int *ii, LDBLE *doubles, int *dd);
|
|
#endif
|
|
|
|
void totalize(Phreeqc * phreeqc_ptr);
|
|
|
|
protected:
|
|
void add(const cxxPPassemblage & addee, LDBLE extensive);
|
|
// not written
|
|
void dump_xml(std::ostream & os, unsigned int indent = 0) const;
|
|
|
|
protected:
|
|
bool new_def;
|
|
std::map <std::string, cxxPPassemblageComp > pp_assemblage_comps;
|
|
cxxNameDouble eltList; // list of elements in phases (and alternate reactions)
|
|
cxxNameDouble assemblage_totals; // after totalize, total moles of elements in the PPassemblage
|
|
const static std::vector < std::string > vopts;
|
|
};
|
|
|
|
#endif // !defined(PPASSEMBLAGE_H_INCLUDED)
|