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7683982877
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
66 lines
1.6 KiB
C++
66 lines
1.6 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: public PHRQ_base
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{
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public:
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cxxKineticsComp(PHRQ_io *io=NULL);
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cxxKineticsComp(struct kinetics_comp *, PHRQ_io *io=NULL);
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~cxxKineticsComp();
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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, 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(const 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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const cxxNameDouble &Get_namecoef(void) const {return namecoef;};
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LDBLE Get_tol(void) const {return tol;};
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LDBLE Get_m(void) const {return m;};
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LDBLE Get_m0(void) const {return m0;};
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LDBLE Get_moles(void) const {return moles;};
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const std::vector < LDBLE > &Get_d_params(void) const {return d_params;};
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#ifdef USE_MPI
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void mpi_unpack(int *ints, int *ii, LDBLE *doubles, int *dd);
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void mpi_pack(std::vector < int >&ints, std::vector < LDBLE >&doubles);
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#endif
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void add(const cxxKineticsComp & comp, LDBLE extensive);
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void multiply(LDBLE 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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LDBLE tol;
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LDBLE m;
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LDBLE m0;
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LDBLE moles;
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std::vector < LDBLE >d_params;
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public:
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};
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#endif // !defined(KINETICSCOMP_H_INCLUDED)
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