032bb9c363
This eliminates the need for class FuncData, and makes it possible to introduce sensitivity parameters which have a nominal values other than 1.0.
121 lines
3.4 KiB
C++
121 lines
3.4 KiB
C++
/**
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* @file CVodesIntegrator.h
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*/
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// Copyright 2005 California Institute of Technology
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#ifndef CT_CVODESWRAPPER_H
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#define CT_CVODESWRAPPER_H
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#include "cantera/numerics/Integrator.h"
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#include "cantera/base/ctexceptions.h"
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#include "sundials/sundials_nvector.h"
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namespace Cantera
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{
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/**
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* Exception thrown when a CVODES error is encountered.
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* @deprecated Unused. To be removed after Cantera 2.3.
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*/
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class CVodesErr : public CanteraError
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{
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public:
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explicit CVodesErr(const std::string& msg) : CanteraError("CVodesIntegrator", msg) {
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warn_deprecated("class CVodesErr", "To be removed after Cantera 2.3.");
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}
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};
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/**
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* Wrapper class for 'cvodes' integrator from LLNL.
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*
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* @see FuncEval.h. Classes that use CVodesIntegrator:
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* ImplicitChem, ImplicitSurfChem, Reactor
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*/
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class CVodesIntegrator : public Integrator
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{
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public:
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/**
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* Constructor. Default settings: dense Jacobian, no user-supplied
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* Jacobian function, Newton iteration.
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*/
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CVodesIntegrator();
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virtual ~CVodesIntegrator();
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virtual void setTolerances(double reltol, size_t n, double* abstol);
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virtual void setTolerances(double reltol, double abstol);
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virtual void setSensitivityTolerances(double reltol, double abstol);
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virtual void setProblemType(int probtype);
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virtual void initialize(double t0, FuncEval& func);
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virtual void reinitialize(double t0, FuncEval& func);
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virtual void integrate(double tout);
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virtual doublereal step(double tout);
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virtual double& solution(size_t k);
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virtual double* solution();
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virtual int nEquations() const {
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return static_cast<int>(m_neq);
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}
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virtual int nEvals() const;
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virtual void setMaxOrder(int n) {
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m_maxord = n;
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}
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virtual void setMethod(MethodType t);
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virtual void setIterator(IterType t);
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virtual void setMaxStepSize(double hmax);
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virtual void setMinStepSize(double hmin);
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virtual void setMaxSteps(int nmax);
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virtual void setMaxErrTestFails(int n);
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virtual void setBandwidth(int N_Upper, int N_Lower) {
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m_mupper = N_Upper;
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m_mlower = N_Lower;
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}
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virtual int nSensParams() {
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return static_cast<int>(m_np);
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}
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virtual double sensitivity(size_t k, size_t p);
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//! Returns a string listing the weighted error estimates associated
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//! with each solution component.
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//! This information can be used to identify which variables are
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//! responsible for integrator failures or unexpected small timesteps.
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virtual std::string getErrorInfo(int N);
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//! Error message information provide by CVodes
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std::string m_error_message;
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protected:
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//! Applies user-specified options to the underlying CVODES solver. Called
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//! during integrator initialization or reinitialization.
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void applyOptions();
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private:
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void sensInit(double t0, FuncEval& func);
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size_t m_neq;
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void* m_cvode_mem;
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double m_t0;
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double m_time; //!< The current integrator time
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N_Vector m_y, m_abstol;
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int m_type;
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int m_itol;
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int m_method;
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int m_iter;
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int m_maxord;
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double m_reltol;
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double m_abstols;
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double m_reltolsens, m_abstolsens;
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size_t m_nabs;
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double m_hmax, m_hmin;
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int m_maxsteps;
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int m_maxErrTestFails;
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N_Vector* m_yS;
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size_t m_np;
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int m_mupper, m_mlower;
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//! Indicates whether the sensitivities stored in m_yS have been updated
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//! for at the current integrator time.
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bool m_sens_ok;
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};
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} // namespace
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#endif
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