#if !defined(SSASSEMBLAGESS_H_INCLUDED) #define SSASSEMBLAGESS_H_INCLUDED #include // assert #include // std::map #include // std::string #include // std::list #include // std::vector #include "NameDouble.h" #include "Phreeqc_class.h" class cxxSSassemblageSS { public: cxxSSassemblageSS(); cxxSSassemblageSS(struct s_s *); ~cxxSSassemblageSS(); enum SS_PARAMETER_TYPE { SS_PARM_NONE = -1, SS_PARM_A0_A1 = 0, SS_PARM_GAMMAS = 1, SS_PARM_DIST_COEF = 2, SS_PARM_MISCIBILITY = 3, SS_PARM_SPINODAL = 4, SS_PARM_CRITICAL = 5, SS_PARM_ALYOTROPIC = 6, SS_PARM_DIM_GUGG = 7, SS_PARM_WALDBAUM = 8, SS_PARM_MARGULES = 9 }; static struct s_s *cxxSSassemblageSS2s_s(PHREEQC_PTR_ARG_COMMA std::map < std::string, cxxSSassemblageSS > &el); void dump_xml(std::ostream & os, unsigned int indent = 0) const; void dump_raw(std::ostream & s_oss, unsigned int indent) const; void read_raw(PHREEQC_PTR_ARG_COMMA CParser & parser, bool check = true); const std::string &get_name() const { return this->name; } void set_name (const char * s) { if (s != NULL) this->name = std::string(s); else this->name.clear(); } void totalize(PHREEQC_PTR_ARG); const cxxNameDouble & get_totals() const { return (this->totals); }; #ifdef USE_MPI void mpi_pack(std::vector < int >&ints, std::vector < double >&doubles); void mpi_unpack(int *ints, int *ii, double *doubles, int *dd); #endif void add(const cxxSSassemblageSS & comp, double extensive); void multiply(double extensive); protected: std::string name; cxxNameDouble comps; double a0, a1; double ag0, ag1; bool miscibility; double xb1, xb2; cxxNameDouble totals; public: }; #endif // !defined(SSASSEMBLAGESS_H_INCLUDED)