#if !defined(KINETICSCOMP_H_INCLUDED) #define KINETICSCOMP_H_INCLUDED #include // assert #include // std::map #include // std::string #include // std::list #include // std::vector #include "NameDouble.h" class cxxKineticsComp: public PHRQ_base { public: cxxKineticsComp(PHRQ_io *io=NULL); cxxKineticsComp(struct kinetics_comp *, PHRQ_io *io=NULL); virtual ~cxxKineticsComp(); 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_rate_name() const { return this->rate_name; } void Set_rate_name(const char * s) { if (s != NULL) this->rate_name = std::string(s); else this->rate_name.clear(); } cxxNameDouble &Get_namecoef(void) {return namecoef;} const cxxNameDouble &Get_namecoef(void)const {return namecoef;} void Set_namecoef(const cxxNameDouble nd) {namecoef = nd;} LDBLE Get_tol(void) const {return tol;} void Set_tol(LDBLE t) {tol = t;} LDBLE Get_m(void) const {return m;} void Set_m(LDBLE t) {m = t;} LDBLE Get_m0(void) const {return m0;} void Set_m0(LDBLE t) {m0 = t;} LDBLE Get_moles(void) const {return moles;} void Set_moles(LDBLE t) {moles = t;} LDBLE Get_initial_moles(void) const {return initial_moles;} void Set_initial_moles(LDBLE t) {initial_moles = t;} std::vector < LDBLE > &Get_d_params(void) {return d_params;}; const std::vector < LDBLE > &Get_d_params(void)const {return d_params;}; std::vector < std::string > &Get_c_params(void) {return c_params;}; cxxNameDouble &Get_moles_of_reaction(void) {return moles_of_reaction;} const cxxNameDouble &Get_moles_of_reaction(void)const {return moles_of_reaction;} void Set_moles_of_reaction(const cxxNameDouble nd) {moles_of_reaction = nd;} void add(const cxxKineticsComp & comp, LDBLE extensive); void multiply(LDBLE extensive); 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 rate_name; // KINETICS_MODIFY candidates cxxNameDouble namecoef; //stoichiometry of reaction LDBLE tol; LDBLE m; LDBLE m0; std::vector< LDBLE > d_params; std::vector< std::string > c_params; // Not used // kinetics workspace variables LDBLE moles; LDBLE initial_moles; cxxNameDouble moles_of_reaction; const static std::vector < std::string > vopts; public: }; #endif // !defined(KINETICSCOMP_H_INCLUDED)