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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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c78dd87daf
Works only for initial solution calculation. Still some problems with the solver. Ex1 fails. Cleaned up organization a little. Ready to start on "reaction" calculation. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2176 1feff8c3-07ed-0310-ac33-dd36852eb9cd
69 lines
2.1 KiB
C++
69 lines
2.1 KiB
C++
#if !defined(ISOLUTION_H_INCLUDED)
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#define ISOLUTION_H_INCLUDED
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//#include "Parser.h"
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#include "ISolutionComp.h"
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#include "NumKeyword.h"
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#include "Solution.h"
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//#include "Isotope.h"
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#include <cassert> // assert
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#include <map> // std::map
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#include <string> // std::string
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#include <list> // std::list
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#include <vector> // std::vector
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#include <set> // std::set
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#include <iostream>
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#include <sstream>
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#include <fstream>
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class cxxISolution : public cxxSolution
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{
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public:
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cxxISolution();
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cxxISolution(struct solution *);
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//cxxISolution(const cxxISolution&);
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~cxxISolution();
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//static cxxISolution& read(CParser& parser);
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//void add(cxxISolutionComp conc) { this->concs.push_back(conc); }
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struct solution *cxxISolution2solution();
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double get_density()const {return this->density;}
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void set_density(double density) {this->density = density;}
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std::string get_units()const {return units;}
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void set_units(std::string units) {units = units;}
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//char * get_redox()const {return this->pe[this->default_pe].get_name();}
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//void dump_xml(std::ostream& os, unsigned int indent = 0)const;
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void ConvertUnits();
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void ORCH_write_chemistry(std::ostream &chemistry_dat);
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void ORCH_write_input(std::ostream &input_dat);
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void ORCH_write_output_vars(std::ostream &input_dat);
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protected:
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friend class cxxISolutionComp; // for this->pe access
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double density;
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std::string units;
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std::map<char *, cxxISolutionComp, CHARSTAR_LESS> comps;
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struct pe_data *pes;
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int default_pe;
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public:
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//static std::map<int, cxxISolution>& map;
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private:
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void ORCH_write_chemistry_water(std::ostream &chemistry_dat);
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void ORCH_write_chemistry_primary(std::ostream &chemistry_dat);
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void ORCH_write_chemistry_total_O_H(std::ostream &chemistry_dat);
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void ORCH_write_chemistry_alkalinity(std::ostream &chemistry_dat);
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void ORCH_write_chemistry_species(std::ostream &chemistry_dat);
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void ORCH_write_chemistry_minerals(std::ostream &chemistry_dat);
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};
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#endif // !defined(ISOLUTION_H_INCLUDED)
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