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9f4eefd214
Phreeqcpp class methods. Still compiles on Debug and Release, but problem with phrq_malloc in cvdense and cvode. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
61 lines
1.4 KiB
C++
61 lines
1.4 KiB
C++
#if !defined(KINETICSCOMP_H_INCLUDED)
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#define KINETICSCOMP_H_INCLUDED
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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 "NameDouble.h"
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class cxxKineticsComp
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{
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public:
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cxxKineticsComp();
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cxxKineticsComp(struct kinetics_comp *);
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~cxxKineticsComp();
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static struct kinetics_comp *cxxKineticsComp2kinetics_comp(PHREEQC_PTR_ARG_COMMA std::map < std::string, cxxKineticsComp > &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(PHREEQC_PTR_ARG_COMMA CParser & parser, bool check = true);
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const std::string &get_rate_name() const
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{
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return this->rate_name;
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}
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void set_rate_name(char * s)
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{
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if (s != NULL)
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this->rate_name = std::string(s);
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else
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this->rate_name.clear();
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}
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#ifdef USE_MPI
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void mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
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void mpi_pack(std::vector < int >&ints, std::vector < double >&doubles);
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#endif
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void add(const cxxKineticsComp & comp, double extensive);
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void multiply(double extensive);
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protected:
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std::string rate_name;
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cxxNameDouble namecoef; //stoichiometry of reaction
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double tol;
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double m;
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double m0;
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double moles;
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std::vector < double >d_params;
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public:
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};
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#endif // !defined(KINETICSCOMP_H_INCLUDED)
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