SystemJacobian.h

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//! @file SystemJacobian.h Declarations for class SystemJacobian
 
// 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 SYSTEMJACOBIAN_H
#define SYSTEMJACOBIAN_H
 
#include "cantera/base/ctexceptions.h"
#include "cantera/base/global.h"
 
namespace Cantera
{
 
/**
 * Specifies the side of the system on which the preconditioner is applied. Not all
 * methods are supported by all integrators.
 */
enum class PreconditionerSide {
    NO_PRECONDITION, //! No preconditioning
    LEFT_PRECONDITION, //! Left side preconditioning
    RIGHT_PRECONDITION, //! Right side preconditioning
    BOTH_PRECONDITION //! Left and right side preconditioning
};
 
//! Abstract base class representing Jacobian matrices and preconditioners used in
//! nonlinear solvers.
//!
//! The matrix is initially populated with elements of the (steady-state) Jacobian
//! using the setValue() method.
//!
//! If the object is being used for preconditioning, the preconditioner matrix
//! @f$ M = I - \gamma J @f$ is computed and factorized by calling
//! updatePreconditioner(). If the object is being used for solving a (pseudo-)transient
//! problem, the transient Jacobian @f$ M = J - \alpha \Delta t^{-1} @f$ is computed and
//! factorized by calling the updateTransient() method.
//!
//! Once the system is factorized, the solve() method can be used for preconditioning
//! or solving Newton steps as appropriate.
//!
//! Implementations of this class provide different options for how to store the
//! matrix elements and different algorithms for factorizing the matrix.
class SystemJacobian
{
public:
    SystemJacobian() {}
 
    virtual ~SystemJacobian() {}
 
    //! Derived type, corresponding to names registered with SystemJacobianFactory
    virtual const string type() const = 0;
 
    //! Set a value at the specified row and column of the jacobian triplet vector
    //! @param row row in the jacobian matrix
    //! @param col column in the jacobian matrix
    //! @param value value of the element at row and col
    virtual void setValue(size_t row, size_t col, double value) {
        throw NotImplementedError("SystemJacobian::setValue");
    }
 
    //! Adjust the state vector based on the preconditioner, e.g., Adaptive
    //! preconditioning uses a strictly positive composition when preconditioning which
    //! is handled by this function
    //! @param state a vector containing the state to be updated
    virtual void stateAdjustment(vector<double>& state) {
        throw NotImplementedError("SystemJacobian::stateAdjustment");
    }
 
    //! Get preconditioner application side for CVODES
    string preconditionerSide() const {
        return m_precon_side;
    }
 
    //! For iterative solvers, set the side where the preconditioner is applied
    virtual void setPreconditionerSide(const string& preconSide) {
        m_precon_side = preconSide;
    }
 
    //! Transform Jacobian vector and write into
    //! preconditioner, P = (I - gamma * J)
    virtual void updatePreconditioner() {
        throw NotImplementedError("SystemJacobian::updatePreconditioner");
    }
 
    //! Update the diagonal terms in the Jacobian by using the transient mask
    //! @f$ \alpha @f$.
    //! @param rdt  Reciprocal of the time step [1/s]
    //! @param mask  Mask for transient terms: 1 if transient, 0 if algebraic.
    virtual void updateTransient(double rdt, int* mask) {
        throw NotImplementedError("SystemJacobian::updateTransient");
    }
 
    //! Solve a linear system using the system matrix *M*
    //!
    //! The matrix *M* can either be the preconditioner or the transient Jacobian
    //! matrix, depending on whether updateTransient() or updatePreconditioner() was
    //! called last.
    //!
    //! @param[in] stateSize length of the rhs and output vectors
    //! @param[in] rhs_vector right hand side vector used in linear system
    //! @param[out] output output vector for solution
    virtual void solve(const size_t stateSize, double* rhs_vector, double* output) {
        throw NotImplementedError("SystemJacobian::solve");
    };
 
    //! Perform preconditioner specific post-reactor setup operations such as factorize.
    //! @deprecated To be removed after %Cantera 3.2. Use updatePreconditioner() and
    //!     factorize() instead.
    virtual void setup() {
        throw NotImplementedError("SystemJacobian::setup");
    };
 
    //! Reset parameters as needed
    virtual void reset() {
        throw NotImplementedError("SystemJacobian::reset");
    };
 
    //! Called during setup for any processes that need
    //! to be completed prior to setup functions used in sundials.
    //! @param networkSize the number of variables in the associated reactor network
    virtual void initialize(size_t networkSize) {
        throw NotImplementedError("SystemJacobian::initialize");
    };
 
    //! Used to provide system bandwidth for implementations that use banded matrix
    //! storage. Ignored if not needed.
    virtual void setBandwidth(size_t bw) {}
 
    //! Print preconditioner contents
    virtual void printPreconditioner() {
        throw NotImplementedError("SystemJacobian::printPreconditioner");
    };
 
    //! Set gamma used in preconditioning
    //! @param gamma used in M = I - gamma*J
    virtual void setGamma(double gamma) {
        m_gamma = gamma;
    };
 
    //! Get gamma used in preconditioning
    virtual double gamma() {
        return m_gamma;
    };
 
    //! Set the absolute tolerance in the solver outside of the network initialization
    //! @param atol the specified tolerance
    virtual void setAbsoluteTolerance(double atol) {
        m_atol = atol;
    }
 
    //! Get latest status of linear solver. Zero indicates success. Meaning of non-zero
    //! values is solver dependent.
    virtual int info() const {
        throw NotImplementedError("SystemJacobian::info");
    }
 
    //! Elapsed CPU time spent computing the Jacobian elements.
    double elapsedTime() const {
        return m_elapsed;
    }
 
    //! Increase the elapsed time by the specified time.
    void updateElapsed(double evalTime) {
        m_elapsed += evalTime;
    }
 
    //! Number of Jacobian evaluations.
    int nEvals() const {
        return m_nevals;
    }
    //! Increment the number of times the Jacobian has been evaluated
    void incrementEvals() {
        m_nevals++;
    }
 
    //! Number of times 'incrementAge' has been called since the last evaluation
    int age() const {
        return m_age;
    }
 
    //! Increment the Jacobian age.
    void incrementAge() {
        m_age++;
    }
 
    //! Set the Jacobian age.
    void setAge(int age) {
        m_age = age;
    }
 
    //! Clear collected stats about number of Jacobian evaluations, CPU time spent on
    //! Jacobian updates, and the number of Newton steps that have been taken since
    //! updating the Jacobian.
    void clearStats() {
        m_elapsed = 0.0;
        m_nevals = 0;
        m_age = 100000;
    }
 
protected:
    //! Factorize the system matrix. This method should be called at the end of
    //! implementations of updatePreconditioner() and updateTransient().
    virtual void factorize() {
        throw NotImplementedError("SystemJacobian::factorize");
    }
 
    //! Dimension of the system
    size_t m_dim;
 
    //! gamma value used in M = I - gamma*J
    double m_gamma = 1.0;
 
    //! bool saying whether or not the system is initialized
    bool m_init = false;
 
    //! Absolute tolerance of the ODE solver
    double m_atol = 0;
 
    double m_elapsed = 0.0; //!< Elapsed CPU time taken to compute the Jacobian
    int m_nevals = 0; //!< Number of Jacobian evaluations.
 
    int m_age = 100000; //!< Age of the Jacobian (times incrementAge() has been called)
 
    //! For iterative solvers, side of the system to apply the preconditioner on
    string m_precon_side = "none";
};
 
//! @deprecated To be removed after Cantera 3.2. Renamed to SystemJacobian.
class PreconditionerBase : public SystemJacobian
{
    PreconditionerBase() {
        warn_deprecated("PreconditionerBase::PreconditionerBase",
            "To be removed after Cantera 3.2. Renamed to SystemJacobian.");
    }
};
 
}
#endif