#if !defined(SSASSEMBLAGESS_H_INCLUDED) #define SSASSEMBLAGESS_H_INCLUDED #include // assert #include #include // std::string #include // std::list #include // std::vector #include "phrqtype.h" #include "NameDouble.h" #include "SScomp.h" class cxxSS: public PHRQ_base { public: cxxSS(PHRQ_io *io=NULL); virtual ~cxxSS(); 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 }; 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(CParser & parser, bool check = true); const std::string &Get_name() const { return this->name; } void Set_name (const std::string & s) {this->name = s;} void Set_name (const char * s) { if (s != NULL) this->name = std::string(s); else this->name.clear(); } void totalize(Phreeqc * phreeqc_ptr); const cxxNameDouble & Get_totals() const { return (this->totals); }; cxxSScomp * Find(const char * comp_name); void add(const cxxSS & comp, LDBLE extensive); void multiply(LDBLE extensive); LDBLE Get_total_moles(void) const {return total_moles;} void Set_total_moles(LDBLE t) {total_moles = t;} LDBLE Get_dn(void) const {return (this->dn);} void Set_dn(LDBLE t) {this->dn = t;} LDBLE Get_a0() const {return (this->a0);} void Set_a0(LDBLE t) {a0 = t;} LDBLE Get_a1() const {return (this->a1);} void Set_a1(LDBLE t) {a1 = t;} LDBLE Get_ag0() const {return (this->ag0);} void Set_ag0(LDBLE t) {ag0 = t;} LDBLE Get_ag1() const {return (this->ag1);} void Set_ag1(LDBLE t) {ag1 = t;} bool Get_ss_in() const {return (this->ss_in);} void Set_ss_in(bool t) {ss_in = t;} bool Get_miscibility() const {return (this->miscibility);} void Set_miscibility(bool t) {miscibility = t;} bool Get_spinodal() const {return (this->spinodal);} void Set_spinodal(bool t) {spinodal = t;} LDBLE Get_xb1() const {return (this->xb1);} void Set_xb1(LDBLE t) {xb1 = t;} LDBLE Get_xb2() const {return (this->xb2);} void Set_xb2(LDBLE t) {xb2 = t;} std::vector & Get_ss_comps(void) {return ss_comps;} const std::vector & Get_ss_comps(void)const {return ss_comps;} void Set_ss_comps(const std::vector & comps) {ss_comps = comps;} LDBLE Get_tk(void)const {return this->tk;} void Set_tk(LDBLE t) {this->tk = t;} SS_PARAMETER_TYPE Get_input_case(void)const {return this->input_case;} void Set_input_case(SS_PARAMETER_TYPE t) {this->input_case = t;} std::vector & Get_p(void) {return this->p;} const std::vector & Get_p(void)const {return this->p;} void Set_p(const std::vector & t) {this->p = t;} void Serialize(Dictionary & dictionary, std::vector < int >&ints, std::vector < double >&doubles); void Deserialize(Dictionary & dictionary, std::vector < int >&ints, std::vector < double >&doubles, int &ii, int &dd); protected: std::string name; // candidates for SOLID_SOLUTION_MODIFY LDBLE ag0, ag1; std::vector ss_comps; // SOLID_SOLUTION keyword data LDBLE a0, a1; bool miscibility; bool spinodal; LDBLE tk, xb1, xb2; SS_PARAMETER_TYPE input_case; std::vector p; // workspace variable LDBLE total_moles; LDBLE dn; bool ss_in; cxxNameDouble totals; const static std::vector < std::string > vopts; public: }; #endif // !defined(SSASSEMBLAGESS_H_INCLUDED)