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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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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
85 lines
1.8 KiB
C++
85 lines
1.8 KiB
C++
#if !defined(SSASSEMBLAGESS_H_INCLUDED)
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#define SSASSEMBLAGESS_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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#include "Phreeqc_class.h"
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class cxxSSassemblageSS
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{
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public:
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cxxSSassemblageSS();
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cxxSSassemblageSS(struct s_s *);
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~cxxSSassemblageSS();
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enum SS_PARAMETER_TYPE
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{
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SS_PARM_NONE = -1,
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SS_PARM_A0_A1 = 0,
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SS_PARM_GAMMAS = 1,
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SS_PARM_DIST_COEF = 2,
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SS_PARM_MISCIBILITY = 3,
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SS_PARM_SPINODAL = 4,
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SS_PARM_CRITICAL = 5,
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SS_PARM_ALYOTROPIC = 6,
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SS_PARM_DIM_GUGG = 7,
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SS_PARM_WALDBAUM = 8,
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SS_PARM_MARGULES = 9
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};
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static struct s_s *cxxSSassemblageSS2s_s(PHREEQC_PTR_ARG_COMMA std::map < std::string, cxxSSassemblageSS >
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&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_name() const
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{
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return this->name;
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}
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void set_name (const char * s)
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{
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if (s != NULL)
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this->name = std::string(s);
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else
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this->name.clear();
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}
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void totalize(PHREEQC_PTR_ARG);
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const cxxNameDouble & get_totals() const
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{
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return (this->totals);
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};
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#ifdef USE_MPI
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void mpi_pack(std::vector < int >&ints, std::vector < double >&doubles);
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void mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
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#endif
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void add(const cxxSSassemblageSS & comp, double extensive);
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void multiply(double extensive);
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protected:
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std::string name;
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cxxNameDouble comps;
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double a0, a1;
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double ag0, ag1;
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bool miscibility;
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double xb1, xb2;
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cxxNameDouble totals;
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public:
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};
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#endif // !defined(SSASSEMBLAGESS_H_INCLUDED)
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