mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
91f650a5e9
All reactant structs have been removed. Tony's pressure uses mu in pressure term of log_k. Test cases run, discriminant check at 1e-8. Still want to optimize out some k_temp calls and checks for same T, P, mu. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
82 lines
2.4 KiB
C++
82 lines
2.4 KiB
C++
#if !defined(SOLUTIONISOTOPE_H_INCLUDED)
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#define SOLUTIONISOTOPE_H_INCLUDED
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#include <ostream> // std::ostream
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#include <string> // std::string
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#include <list> // std::list
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#include "Parser.h"
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class cxxSolutionIsotope: public PHRQ_base
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{
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public:
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cxxSolutionIsotope(PHRQ_io *io=NULL);
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cxxSolutionIsotope(struct isotope *isotope_ptr, PHRQ_io *io=NULL);
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virtual ~cxxSolutionIsotope(void);
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void dump_xml(std::ostream & os, unsigned int indent) const;
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void dump_raw(std::ostream & os, unsigned int indent) const;
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//CParser::STATUS_TYPE read_raw(CParser & parser, std::istream::pos_type next_char);
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void read_raw(CParser & parser, bool check);
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LDBLE Get_isotope_number() const
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{
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return this->isotope_number;
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}
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void Set_isotope_number(LDBLE d)
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{
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this->isotope_number = d;
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}
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const std::string &Get_elt_name() const {return this->elt_name;}
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void Set_elt_name(const char *cstring)
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{
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if (cstring != NULL)
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this->elt_name = std::string(cstring);
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else
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this->elt_name.clear();
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}
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const std::string &Get_isotope_name() const {return this->isotope_name;}
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void Set_isotope_name(const char *cstring)
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{
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if (cstring != NULL)
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this->isotope_name = std::string(cstring);
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else
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this->isotope_name.clear();
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}
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LDBLE Get_total() const {return this->total;}
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void Set_total(LDBLE d) {this->total = d;}
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LDBLE Get_ratio() const {return this->ratio;}
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void Set_ratio(LDBLE t) {this->ratio = t;}
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LDBLE Get_ratio_uncertainty() const {return this->ratio_uncertainty;}
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void Set_ratio_uncertainty(LDBLE t) {this->ratio_uncertainty = t;}
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LDBLE Get_x_ratio_uncertainty() const {return this->x_ratio_uncertainty;}
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void Set_x_ratio_uncertainty(LDBLE t) {this->x_ratio_uncertainty = t;}
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bool Get_ratio_uncertainty_defined() const {return this->ratio_uncertainty_defined;}
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void Set_ratio_uncertainty_defined(bool tf) {this->ratio_uncertainty_defined = tf;}
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LDBLE Get_coef() const {return this->coef;}
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void Set_coef(LDBLE t) {this->coef = t;}
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bool operator<(const cxxSolutionIsotope & conc) const;
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void add(const cxxSolutionIsotope & isotope_ptr, LDBLE intensive,
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LDBLE extensive);
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void multiply(LDBLE extensive);
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protected:
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LDBLE isotope_number;
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std::string elt_name;
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std::string isotope_name;
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LDBLE total;
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LDBLE ratio;
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LDBLE ratio_uncertainty;
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bool ratio_uncertainty_defined;
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LDBLE x_ratio_uncertainty;
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LDBLE coef; /* coefficient of element in phase */
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};
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#endif // SOLUTIONISOTOPE_H_INCLUDED
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