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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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11431ae291
need to check result. changed SurfComp.h SurfaceComp.h changed SurfComp.cxx SurfaceComp.cxx changed SurfCharge.h SurfaceCharge.h changed SurfCharge.cxx SurfaceCharge.cxx Added Dictionary.cxx and Dictionary.h git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@894 1feff8c3-07ed-0310-ac33-dd36852eb9cd
57 lines
1.3 KiB
C++
57 lines
1.3 KiB
C++
#if !defined(KINETICS_H_INCLUDED)
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#define KINETICS_H_INCLUDED
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#include "NumKeyword.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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#include "KineticsComp.h"
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class cxxKinetics : public cxxNumKeyword
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{
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public:
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cxxKinetics();
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cxxKinetics(struct kinetics *);
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~cxxKinetics();
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struct kinetics *cxxKinetics2kinetics();
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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);
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bool get_related_phases(void);
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bool get_related_rate(void);
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#ifdef USE_MPI
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void cxxKinetics::mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
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void cxxKinetics::mpi_pack(std::vector<int>& ints, std::vector<double>& doubles);
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#endif
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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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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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public:
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//static std::map<int, cxxKinetics>& map;
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};
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#endif // !defined(KINETICS_H_INCLUDED)
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