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git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2057 1feff8c3-07ed-0310-ac33-dd36852eb9cd
54 lines
1.3 KiB
C++
54 lines
1.3 KiB
C++
#if !defined(KINETICSCOMP_H_INCLUDED)
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#define KINETICSCOMP_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 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(std::list<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(CParser& parser);
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char *get_rate_name()const {return this->rate_name;}
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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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char * 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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