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d4721e493e
However, now need 4 configurations for IPhreeqc Debug/Release USE_MPI. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7036 1feff8c3-07ed-0310-ac33-dd36852eb9cd
81 lines
2.7 KiB
C++
81 lines
2.7 KiB
C++
#if !defined(CXXKINETICS_H_INCLUDED)
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#define CXXKINETICS_H_INCLUDED
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#include <cassert> // assert
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#include <map> // std::map
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#include <string> // std::string
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#include <list> // std::list
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#include <vector> // std::vector
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#include "phrqtype.h"
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#include "NumKeyword.h"
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#include "KineticsComp.h"
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#include "PHRQ_base.h"
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class cxxMix;
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class cxxKinetics:public cxxNumKeyword
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{
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public:
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cxxKinetics(PHRQ_io *io=NULL);
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cxxKinetics(const std::map < int, cxxKinetics > &entity_map, cxxMix & mx,
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int n_user, PHRQ_io *io=NULL);
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~cxxKinetics();
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//void dump_xml(std::ostream& os, unsigned int indent = 0)const;
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void dump_raw(std::ostream & s_oss, unsigned int indent, int * n_out=NULL) const;
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void read_raw(CParser & parser, bool check = true);
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std::vector < LDBLE > &Get_steps(void) {return steps;}
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const std::vector < LDBLE > &Get_steps(void)const {return steps;}
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LDBLE Get_step_divide(void) const {return step_divide;}
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void Set_step_divide(LDBLE t) {step_divide = t;}
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int Get_rk(void) const {return rk;};
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void Set_rk(int t) {rk = t;}
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int Get_bad_step_max(void) const {return bad_step_max;}
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void Set_bad_step_max(int t) {bad_step_max = t;}
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bool Get_use_cvode(void) const {return use_cvode;}
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void Set_use_cvode(bool tf) {use_cvode = tf;}
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int Get_cvode_steps(void) const {return cvode_steps;}
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void Set_cvode_steps(int t) {cvode_steps = t;}
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int Get_cvode_order(void) const {return cvode_order;}
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void Set_cvode_order(int t) {cvode_order = t;}
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std::vector < cxxKineticsComp > &Get_kinetics_comps(void) {return kinetics_comps;}
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const std::vector < cxxKineticsComp > &Get_kinetics_comps(void)const {return kinetics_comps;}
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cxxNameDouble & Get_totals(void) {return this->totals;}
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void Set_totals(const cxxNameDouble &nd) {totals = nd;}
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bool Get_equalIncrements(void) const {return equalIncrements;}
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void Set_equalIncrements(bool tf) {equalIncrements = tf;}
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int Get_count(void) const {return count;}
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void Set_count(int i) {count = i;}
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int Get_reaction_steps(void) const;
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cxxKineticsComp * Find(const std::string &str);
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LDBLE Current_step(const bool incremental_reactions, const int reaction_step) const;
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#ifdef USE_MPI_SKIP
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void mpi_unpack(int *ints, int *ii, LDBLE *doubles, int *dd);
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void mpi_pack(std::vector < int >&ints, std::vector < LDBLE >&doubles);
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#endif
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protected:
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void add(const cxxKinetics & addee, LDBLE extensive);
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protected:
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// KINETICS_MODIFY candidates
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std::vector < cxxKineticsComp > kinetics_comps;
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std::vector < LDBLE >steps;
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int count;
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bool equalIncrements;
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LDBLE step_divide;
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int rk;
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int bad_step_max;
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bool use_cvode;
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int cvode_steps;
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int cvode_order;
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// internal variables
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cxxNameDouble totals;
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const static std::vector < std::string > vopts;
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};
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#endif // !defined(CXXKINETICS_H_INCLUDED)
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