OneDim.h

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/**
 * @file OneDim.h
 */

#ifndef CT_ONEDIM_H
#define CT_ONEDIM_H

#include "Domain1D.h"

namespace Cantera
{

class MultiJac;
class MultiNewton;
class Func1;

/**
 * Container class for multiple-domain 1D problems. Each domain is
 * represented by an instance of Domain1D.
 * @ingroup onedim
 */
class OneDim
{
public:
    OneDim();

    //! Construct a OneDim container for the domains in the list *domains*.
    OneDim(std::vector<Domain1D*> domains);
    virtual ~OneDim();

    /// Add a domain. Domains are added left-to-right.
    void addDomain(Domain1D* d);

    //! Return a reference to the Jacobian evaluator.
    MultiJac& jacobian();

    /// Return a reference to the Newton iterator.
    MultiNewton& newton();

    /**
     * Solve F(x) = 0, where F(x) is the multi-domain residual function.
     * @param x0         Starting estimate of solution.
     * @param x1         Final solution satisfying F(x1) = 0.
     * @param loglevel   Controls amount of diagnostic output.
     */
    int solve(doublereal* x0, doublereal* x1, int loglevel);

    /// Number of domains.
    size_t nDomains() const {
        return m_nd;
    }

    /// Return a reference to domain i.
    Domain1D& domain(size_t i) const {
        return *m_dom[i];
    }

    size_t domainIndex(const std::string& name);

    //! Check that the specified domain index is in range
    //! Throws an exception if n is greater than nDomains()-1
    void checkDomainIndex(size_t n) const {
        if (n >= m_nd) {
            throw IndexError("checkDomainIndex", "domains", n, m_nd-1);
        }
    }

    //! Check that an array size is at least nDomains()
    //! Throws an exception if nn is less than nDomains(). Used before calls
    //! which take an array pointer.
    void checkDomainArraySize(size_t nn) const {
        if (m_nd > nn) {
            throw ArraySizeError("checkDomainArraySize", nn, m_nd);
        }
    }

    /// The index of the start of domain i in the solution vector.
    size_t start(size_t i) const {
        return m_dom[i]->loc();
    }

    /// Total solution vector length;
    size_t size() const {
        return m_size;
    }

    /// Pointer to left-most domain (first added).
    Domain1D* left() {
        return m_dom[0];
    }

    /// Pointer to right-most domain (last added).
    Domain1D* right() {
        return m_dom.back();
    }

    /// Number of solution components at global point jg.
    size_t nVars(size_t jg) {
        return m_nvars[jg];
    }

    /**
     * Location in the solution vector of the first component of
     *  global point jg.
     */
    size_t loc(size_t jg) {
        return m_loc[jg];
    }

    /// Jacobian bandwidth.
    size_t bandwidth() const {
        return m_bw;
    }

    /*!
     * Initialize all domains. On the first call, this methods calls the init
     * method of each domain, proceeding from left to right. Subsequent calls
     * do nothing.
     */
    void init();

    /// Total number of points.
    size_t points() {
        return m_pts;
    }

    /**
     * Steady-state max norm (infinity norm) of the residual evaluated using
     * solution x. On return, array r contains the steady-state residual
     * values. Used only for diagnostic output.
     */
    doublereal ssnorm(doublereal* x, doublereal* r);

    /// Reciprocal of the time step.
    doublereal rdt() const {
        return m_rdt;
    }

    //! Prepare for time stepping beginning with solution *x* and timestep *dt*.
    void initTimeInteg(doublereal dt, doublereal* x);

    /// True if transient mode.
    bool transient() const {
        return (m_rdt != 0.0);
    }

    /// True if steady mode.
    bool steady() const {
        return (m_rdt == 0.0);
    }

    /*!
     * Prepare to solve the steady-state problem. After invoking this method,
     * subsequent calls to solve() will solve the steady-state problem. Sets
     * the reciprocal of the time step to zero, and, if it was previously non-
     * zero, signals that a new Jacobian will be needed.
     */
    void setSteadyMode();

    /**
     * Evaluate the multi-domain residual function
     *
     * @param j       if j > 0, only evaluate residual for points j-1, j,
     *                and j + 1; otherwise, evaluate at all grid points.
     * @param x       solution vector
     * @param r       on return, contains the residual vector
     * @param rdt     Reciprocal of the time step. if omitted, then
     *                  the default value is used.
     * @param count   Set to zero to omit this call from the statistics
     */
    void eval(size_t j, double* x, double* r, doublereal rdt=-1.0,
              int count = 1);

    //! Return a pointer to the domain global point *i* belongs to.
    /*!
     * The domains are scanned right-to-left, and the first one with starting
     * location less or equal to i is returned.
     */
    Domain1D* pointDomain(size_t i);

    //! Call after one or more grids has been refined.
    void resize();

    //void setTransientMask();
    vector_int& transientMask() {
        return m_mask;
    }

    /*!
     * Take time steps using Backward Euler.
     *
     * @param nsteps number of steps
     * @param dt initial step size
     * @param x current solution vector
     * @param r solution vector after time stepping
     * @param loglevel controls amount of printed diagnostics
     * @returns size of last timestep taken
     */
    double timeStep(int nsteps, double dt, double* x,
                    double* r, int loglevel);

    //! Write statistics about the number of iterations and Jacobians at each grid level
    /*!
     *  @param printTime  Boolean that indicates whether time should be printed out
     *                    The default is true. It's turned off for test problems where
     *                    we don't want to print any times
     */
    void writeStats(int printTime = 1);

    void save(const std::string& fname, std::string id,
              const std::string& desc, doublereal* sol, int loglevel);

    // options
    void setMinTimeStep(doublereal tmin) {
        m_tmin = tmin;
    }
    void setMaxTimeStep(doublereal tmax) {
        m_tmax = tmax;
    }
    void setTimeStepFactor(doublereal tfactor) {
        m_tfactor = tfactor;
    }
    void setJacAge(int ss_age, int ts_age=-1) {
        m_ss_jac_age = ss_age;
        if (ts_age > 0) {
            m_ts_jac_age = ts_age;
        } else {
            m_ts_jac_age = m_ss_jac_age;
        }
    }

    /**
     * Save statistics on function and Jacobian evaluation, and reset the
     * counters. Statistics are saved only if the number of Jacobian
     * evaluations is greater than zero. The statistics saved are:
     *
     *    - number of grid points
     *    - number of Jacobian evaluations
     *    - CPU time spent evaluating Jacobians
     *    - number of non-Jacobian function evaluations
     *    - CPU time spent evaluating functions
     */
    void saveStats();

    //! Set a function that will be called every time #eval is called.
    //! Can be used to provide keyboard interrupt support in the high-level
    //! language interfaces.
    void setInterrupt(Func1* interrupt) {
        m_interrupt = interrupt;
    }

protected:
    void evalSSJacobian(doublereal* x, doublereal* xnew);

    doublereal m_tmin;        // minimum timestep size
    doublereal m_tmax;        // maximum timestep size
    doublereal m_tfactor;     // factor time step is multiplied by
    // if time stepping fails ( < 1 )

    MultiJac* m_jac;          // Jacobian evaluator
    MultiNewton* m_newt;      // Newton iterator
    doublereal m_rdt;         // reciprocal of time step
    bool m_jac_ok;            // if true, Jacobian is current

    //! number of domains
    size_t m_nd;

    size_t m_bw;                 // Jacobian bandwidth
    size_t m_size;               // solution vector size

    std::vector<Domain1D*> m_dom, m_connect, m_bulk;

    bool m_init;
    std::vector<size_t> m_nvars;
    std::vector<size_t> m_loc;
    vector_int m_mask;
    size_t m_pts;
    doublereal m_solve_time;

    // options
    int m_ss_jac_age, m_ts_jac_age;

    //! Function called at the start of every call to #eval.
    Func1* m_interrupt;

private:
    // statistics
    int m_nevals;
    doublereal m_evaltime;
    std::vector<size_t> m_gridpts;
    vector_int m_jacEvals;
    vector_fp m_jacElapsed;
    vector_int m_funcEvals;
    vector_fp m_funcElapsed;
};

}

#endif