#if !defined(CXXKINETICS_H_INCLUDED) #define CXXKINETICS_H_INCLUDED #include // assert #include // std::map #include // std::string #include // std::list #include // std::vector #include "phrqtype.h" #include "NumKeyword.h" #include "KineticsComp.h" #include "PHRQ_base.h" class cxxMix; class cxxKinetics:public cxxNumKeyword { public: cxxKinetics(PHRQ_io *io=NULL); cxxKinetics(const std::map < int, cxxKinetics > &entity_map, cxxMix & mx, int n_user, PHRQ_io *io=NULL); ~cxxKinetics(); //void dump_xml(std::ostream& os, unsigned int indent = 0)const; void dump_raw(std::ostream & s_oss, unsigned int indent, int * n_out=NULL) const; void read_raw(CParser & parser, bool check = true); std::vector < LDBLE > &Get_steps(void) {return steps;} const std::vector < LDBLE > &Get_steps(void)const {return steps;} LDBLE Get_step_divide(void) const {return step_divide;} void Set_step_divide(LDBLE t) {step_divide = t;} int Get_rk(void) const {return rk;}; void Set_rk(int t) {rk = t;} int Get_bad_step_max(void) const {return bad_step_max;} void Set_bad_step_max(int t) {bad_step_max = t;} bool Get_use_cvode(void) const {return use_cvode;} void Set_use_cvode(bool tf) {use_cvode = tf;} int Get_cvode_steps(void) const {return cvode_steps;} void Set_cvode_steps(int t) {cvode_steps = t;} int Get_cvode_order(void) const {return cvode_order;} void Set_cvode_order(int t) {cvode_order = t;} std::vector < cxxKineticsComp > &Get_kinetics_comps(void) {return kinetics_comps;} const std::vector < cxxKineticsComp > &Get_kinetics_comps(void)const {return kinetics_comps;} cxxNameDouble & Get_totals(void) {return this->totals;} void Set_totals(const cxxNameDouble &nd) {totals = nd;} bool Get_equalIncrements(void) const {return equalIncrements;} void Set_equalIncrements(bool tf) {equalIncrements = tf;} int Get_count(void) const {return count;} void Set_count(int i) {count = i;} int Get_reaction_steps(void) const; cxxKineticsComp * Find(const std::string &str); LDBLE Current_step(const bool incremental_reactions, const int reaction_step) const; 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: void add(const cxxKinetics & addee, LDBLE extensive); protected: // KINETICS_MODIFY candidates std::vector < cxxKineticsComp > kinetics_comps; std::vector < LDBLE >steps; int count; bool equalIncrements; LDBLE step_divide; int rk; int bad_step_max; bool use_cvode; int cvode_steps; int cvode_order; // internal variables cxxNameDouble totals; const static std::vector < std::string > vopts; }; #endif // !defined(CXXKINETICS_H_INCLUDED)