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7c9913195a
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5649 1feff8c3-07ed-0310-ac33-dd36852eb9cd
74 lines
2.0 KiB
C++
74 lines
2.0 KiB
C++
#if !defined(CXXKINETICS_H_INCLUDED)
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#define CXXKINETICS_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 "NumKeyword.h"
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#include "KineticsComp.h"
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#include "PHRQ_base.h"
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class cxxMix;
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class cxxKinetics:public cxxNumKeyword
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{
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public:
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cxxKinetics(PHRQ_io *io=NULL);
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cxxKinetics(struct kinetics *, PHRQ_io *io=NULL);
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cxxKinetics(const std::map < int, cxxKinetics > &entity_map, cxxMix & mx,
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int n_user, PHRQ_io *io=NULL);
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~cxxKinetics();
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//struct kinetics *cxxKinetics2kinetics(PHREEQC_PTR_ARG);
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//struct kinetics_comp *cxxKineticsComp2kinetics_comp();
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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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bool Get_related_phases(void);
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bool Get_related_rate(void);
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std::vector < double > &Get_steps(void) {return steps;};
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double Get_step_divide(void) {return step_divide;};
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int Get_rk(void) {return rk;};
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int Get_bad_step_max(void) {return bad_step_max;};
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bool Get_use_cvode(void) {return use_cvode;};
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int Get_cvode_steps(void) {return cvode_steps;};
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int Get_cvode_order(void) {return cvode_order;};
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std::list < cxxKineticsComp > &Get_kineticsComps(void) {return kineticsComps;};
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cxxNameDouble & Get_totals(void) {return this->totals;};
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int Get_equal_steps(void) {return equal_steps;};
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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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private:
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void add(const cxxKinetics & addee, double extensive);
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protected:
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std::list < cxxKineticsComp > kineticsComps;
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std::vector < double >steps;
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int equal_steps;
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cxxNameDouble totals;
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double step_divide;
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int rk;
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int bad_step_max;
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bool use_cvode;
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int cvode_steps;
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int cvode_order;
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public:
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//static std::map<int, cxxKinetics>& map;
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};
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#endif // !defined(CXXKINETICS_H_INCLUDED)
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