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a7a19e57f4
as constructor methods for Solution and Exchange. Takes c storage and makes C++ objects after a calculation. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2062 1feff8c3-07ed-0310-ac33-dd36852eb9cd
93 lines
3.2 KiB
C++
93 lines
3.2 KiB
C++
#if !defined(EXCHCOMP_H_INCLUDED)
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#define EXCHCOMP_H_INCLUDED
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#include "NameDouble.h"
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#define EXTERNAL extern
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#include "global.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 "char_star.h"
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class cxxExchComp
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{
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public:
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cxxExchComp();
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cxxExchComp(struct exch_comp *);
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~cxxExchComp();
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struct master *get_master();
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static struct exch_comp *cxxExchComp2exch_comp(std::list<cxxExchComp>& el);
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void dump_xml(std::ostream& os, unsigned int indent = 0)const;
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void dump_raw(std::ostream& s_oss, unsigned int indent)const;
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void read_raw(CParser& parser);
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char * get_formula()const { return this->formula;}
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void set_formula(char * cstring) { this->formula = cstring;}
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double get_moles()const { return this->moles;}
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void set_moles(double d) { this->moles = d;}
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double get_la()const { return this->la;}
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void set_la(double d) { this->la = d;}
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double get_charge_balance()const { return this->charge_balance;}
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void set_charge_balance(double d) { this->charge_balance = d;}
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char * get_phase_name()const { return this->phase_name;}
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void set_phase_name(char * cstring) { this->phase_name = cstring;}
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double get_phase_proportion()const { return this->phase_proportion;}
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void set_phase_proportion(double d) { this->phase_proportion = d;}
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char * get_rate_name()const { return this->rate_name;}
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void set_rate_name(char * cstring) { this->rate_name = cstring;}
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double get_formula_z()const { return this->formula_z;}
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void set_formula_z(double d) { this->formula_z = d;}
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void set_totals(struct elt_list *e_l, int count)
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{this->totals = cxxNameDouble(e_l, count);}
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void set_totals(struct elt_list *e_l)
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{this->totals = cxxNameDouble(e_l);}
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void set_totals(cxxNameDouble nd)
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{this->totals = nd;}
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void set_formula_totals(struct elt_list *e_l, int count)
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{this->formula_totals = cxxNameDouble(e_l, count);}
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void set_formula_totals(struct elt_list *e_l)
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{this->formula_totals = cxxNameDouble(e_l);}
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void set_formula_totals(cxxNameDouble nd)
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{this->formula_totals = nd;}
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const cxxNameDouble &get_totals()const
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{
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return (this->totals);
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};
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void add(const cxxExchComp &comp, double extensive);
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void multiply(double extensive);
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#ifdef USE_MPI
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void mpi_pack(std::vector<int>& ints, std::vector<double>& doubles);
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void mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
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#endif
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protected:
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char * formula;
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double moles;
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cxxNameDouble formula_totals;
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cxxNameDouble totals;
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double la;
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double charge_balance;
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char *phase_name;
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double phase_proportion;
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char *rate_name;
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double formula_z; // charge on formula
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public:
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};
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#endif // !defined(EXCHCOMP_H_INCLUDED)
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