Integrator.h

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/**
 *  @file Integrator.h
 */
 
// This file is part of Cantera. See License.txt in the top-level directory or
// at https://cantera.org/license.txt for license and copyright information.
 
#ifndef CT_INTEGRATOR_H
#define CT_INTEGRATOR_H
#include "FuncEval.h"
#include "SystemJacobian.h"
 
#include "cantera/base/global.h"
#include "cantera/base/AnyMap.h"
 
namespace Cantera
{
 
/**
 * Specifies the method used to integrate the system of equations.
 * Not all methods are supported by all integrators.
 */
enum MethodType {
    BDF_Method, //!< Backward Differentiation
    Adams_Method //! Adams
};
 
//! Specifies the method used for iteration.
/*!
 * Not all methods are supported by all integrators.
 */
enum IterType {
    //!  Newton Iteration
    Newton_Iter,
    //! Functional Iteration
    Functional_Iter
};
 
//!  Abstract base class for ODE system integrators.
/*!
 *  @ingroup odeGroup
 */
class Integrator
{
public:
    //! Default Constructor
    Integrator() {
    }
 
    //!  Destructor
    virtual ~Integrator() {
    }
 
    //! Set error tolerances.
    /*!
     * @param reltol scalar relative tolerance
     * @param n      Number of equations
     * @param abstol array of N absolute tolerance values
     */
    virtual void setTolerances(double reltol, size_t n,
                               double* abstol) {
        warn("setTolerances");
    }
 
    //! Set error tolerances.
    /*!
     * @param reltol scalar relative tolerance
     * @param abstol scalar absolute tolerance
     */
    virtual void setTolerances(double reltol, double abstol) {
        warn("setTolerances");
    }
 
    //! Set the sensitivity error tolerances
    /*!
     * @param reltol scalar relative tolerance
     * @param abstol scalar absolute tolerance
     */
    virtual void setSensitivityTolerances(double reltol, double abstol)
    { }
 
    //! Set the linear solver type.
    /*!
     * @param linSolverType    Type of the linear solver
     */
    virtual void setLinearSolverType(const string& linSolverType) {
        warn("setLinearSolverType");
    }
 
    //! Configure how many event/root functions the integrator should monitor
    /**
     * Callers toggle this to enable/disable root finding on the fly (when
     * ReactorNet enforces advance limits).
     * @param nroots Number of root functions
     */
    virtual void setRootFunctionCount([[maybe_unused]] size_t nroots) {}
 
    //! Current value of the independent variable tracked by the integrator
    virtual double currentTime() const = 0;
 
    //! Set preconditioner used by the linear solver
    /*!
     * @param preconditioner preconditioner object used for the linear solver
     */
    virtual void setPreconditioner(shared_ptr<SystemJacobian> preconditioner) {
        m_preconditioner = preconditioner;
        if (preconditioner->preconditionerSide() == "none") {
            m_prec_side = PreconditionerSide::NO_PRECONDITION;
        } else if (preconditioner->preconditionerSide() == "left") {
            m_prec_side = PreconditionerSide::LEFT_PRECONDITION;
        } else if (preconditioner->preconditionerSide() == "right") {
            m_prec_side = PreconditionerSide::RIGHT_PRECONDITION;
        } else if (preconditioner->preconditionerSide() == "both") {
            m_prec_side = PreconditionerSide::BOTH_PRECONDITION;
        } else {
            throw CanteraError("Integrator::setPreconditioner",
                "Invalid option '{}'", preconditioner->preconditionerSide());
        }
    }
 
    //! Solve a linear system Ax=b where A is the preconditioner
    /*!
     * @param[in] stateSize length of the rhs and output vectors
     * @param[in] rhs right hand side vector used in linear system
     * @param[out] output output vector for solution
     */
    virtual void preconditionerSolve(size_t stateSize, double* rhs, double* output) {
        m_preconditioner->solve(stateSize, rhs, output);
    }
 
    //! Return the side of the system on which the preconditioner is applied
    virtual PreconditionerSide preconditionerSide() {
        return m_prec_side;
    }
 
    //! Return preconditioner reference to object
    virtual shared_ptr<SystemJacobian> preconditioner() {
        return m_preconditioner;
    }
 
    //! Return the integrator problem type
    virtual string linearSolverType() const {
        warn("linearSolverType");
        return "";
    }
 
    /**
     * Initialize the integrator for a new problem. Call after all options have
     * been set.
     * @param t0   initial time
     * @param func RHS evaluator object for system of equations.
     */
    virtual void initialize(double t0, FuncEval& func) {
        warn("initialize");
    }
 
    virtual void reinitialize(double t0, FuncEval& func) {
        warn("reinitialize");
    }
 
    //! Integrate the system of equations.
    /*!
     * @param tout Integrate to this time. Note that this is the
     *             absolute time value, not a time interval.
     */
    virtual void integrate(double tout) {
        warn("integrate");
    }
 
    /**
     * Integrate the system of equations.
     * @param tout integrate to this time. Note that this is the
     * absolute time value, not a time interval.
     */
    virtual double step(double tout) {
        warn("step");
        return 0.0;
    }
 
    //! The current value of the solution of equation k.
    virtual double& solution(size_t k) {
        warn("solution");
        return m_dummy;
    }
 
    //! The current value of the solution of the system of equations.
    virtual double* solution() {
        warn("solution");
        return 0;
    }
 
    //! n-th derivative of the output function at time tout.
    virtual double* derivative(double tout, int n) {
        warn("derivative");
        return 0;
    }
 
    //! Order used during the last solution step
    virtual int lastOrder() const {
        warn("lastOrder");
        return 0;
    }
 
    //! The number of equations.
    virtual int nEquations() const {
        warn("nEquations");
        return 0;
    }
 
    //! The number of function evaluations.
    virtual int nEvals() const {
        warn("nEvals");
        return 0;
    }
 
    virtual int maxOrder() const {
        warn("maxOrder");
        return 0;
    }
 
    //! Set the maximum integration order that will be used.
    virtual void setMaxOrder(int n) {
        warn("setMaxorder");
    }
 
    //! Set the solution method
    virtual void setMethod(MethodType t) {
        warn("setMethodType");
    }
 
    //! Set the maximum step size
    virtual void setMaxStepSize(double hmax) {
        warn("setMaxStepSize");
    }
 
    //! Set the minimum step size
    virtual void setMinStepSize(double hmin) {
        warn("setMinStepSize");
    }
 
    //! Set the maximum permissible number of error test failures
    virtual void setMaxErrTestFails(int n) {
        warn("setMaxErrTestFails");
    }
 
    //! Set the maximum number of time-steps the integrator can take
    //!  before reaching the next output time
    //!  @param nmax The maximum number of steps, setting this value
    //!              to zero disables this option.
    virtual void setMaxSteps(int nmax) {
        warn("setMaxStep");
    }
 
    //! Returns the maximum number of time-steps the integrator can take
    //!  before reaching the next output time
    virtual int maxSteps() {
        warn("maxSteps");
        return 0;
    }
 
    virtual void setBandwidth(int N_Upper, int N_Lower) {
        warn("setBandwidth");
    }
 
    virtual int nSensParams() {
        warn("nSensParams()");
        return 0;
    }
 
    virtual double sensitivity(size_t k, size_t p) {
        warn("sensitivity");
        return 0.0;
    }
 
    //! Get solver stats from integrator
    virtual AnyMap solverStats() const {
        AnyMap stats;
        warn("solverStats");
        return stats;
    }
 
    virtual int maxNonlinIterations() const {
        warn("maxNonlinIterations");
        return 0;
    }
    virtual void setMaxNonlinIterations(int n) {
        warn("setMaxNonlinIterations");
    }
 
    virtual int maxNonlinConvFailures() const {
        warn("maxNonlinConvFailures");
        return 0;
    }
    virtual void setMaxNonlinConvFailures(int n) {
        warn("setMaxNonlinConvFailures");
    }
 
    virtual bool algebraicInErrorTest() const {
        warn("algebraicInErrorTest");
        return true;
    }
    virtual void includeAlgebraicInErrorTest(bool yesno) {
        warn("includeAlgebraicInErrorTest");
    }
 
protected:
    //! Pointer to preconditioner object used in integration which is
    //! set by setPreconditioner and initialized inside of
    //! ReactorNet::initialize()
    shared_ptr<SystemJacobian> m_preconditioner;
    //! Type of preconditioning used in applyOptions
    PreconditionerSide m_prec_side = PreconditionerSide::NO_PRECONDITION;
    // methods for DAE solvers
 
private:
    double m_dummy;
    void warn(const string& msg) const {
        writelog(">>>> Warning: method "+msg+" of base class "
                 +"Integrator called. Nothing done.\n");
    }
};
 
// defined in Integrators.cpp
 
//! Create new Integrator object
//! @param itype Integration mode; either @c CVODE or @c IDA
//! @ingroup odeGroup
Integrator* newIntegrator(const string& itype);
 
} // namespace
 
#endif