#if !defined(SURFACECOMP_H_INCLUDED) #define SURFACECOMP_H_INCLUDED #include // assert #include // std::map #include // std::string #include // std::list #include // std::vector #include "Phreeqc_class.h" #include "NameDouble.h" class cxxSurfaceComp { public: cxxSurfaceComp(); cxxSurfaceComp(struct surface_comp *); ~cxxSurfaceComp(); struct master *get_master(PHREEQC_PTR_ARG); const std::string &get_phase_name() const; void set_phase_name(char * f); const std::string &get_rate_name() const; void set_rate_name(char * f); const std::string &get_formula() const; void set_formula(char * f); double get_charge_balance() const; void set_charge_balance(double d); static struct surface_comp *cxxSurfaceComp2surface_comp(PHREEQC_PTR_ARG_COMMA std::map < std::string, cxxSurfaceComp > &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 cxxNameDouble & get_totals() const; void add(PHREEQC_PTR_ARG_COMMA const cxxSurfaceComp & comp, double extensive); void multiply(double extensive); std::string charge_name(PHREEQC_PTR_ARG); static std::string get_charge_name(PHREEQC_PTR_ARG_COMMA char *token); #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 protected: std::string formula; cxxNameDouble formula_totals; double formula_z; double moles; cxxNameDouble totals; double la; //int charge_number; double charge_balance; std::string phase_name; double phase_proportion; std::string rate_name; double Dw; public: }; #endif // !defined(SURFACECOMP_H_INCLUDED)