SteadyStateBoost.h

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/**********************************************************************
** This program is part of 'MOOSE', the
** Messaging Object Oriented Simulation Environment,
** also known as GENESIS 3 base code.
**           copyright (C) 2003-2009 Upinder S. Bhalla. and NCBS
** It is made available under the terms of the
** GNU Lesser General Public License version 2.1
** See the file COPYING.LIB for the full notice.
**********************************************************************/

#ifndef _STEADYSTATE_H
#define _STEADYSTATE_H

#include <boost/numeric/ublas/matrix.hpp>
#include "BoostSys.h"
#include "../randnum/RNG.h"

class NonlinearSystem;

class SteadyState
{
#ifdef DO_UNIT_TESTS
    friend void testSteadyState();
#endif
public:
    SteadyState();
    ~SteadyState();

    // Field function definitions
    Id getStoich() const ;
    void setStoich( Id s );
    bool badStoichiometry() const;
    bool isInitialized() const;
    unsigned int getRank() const;
    unsigned int getNumVarPools() const;
    unsigned int getNiter() const;
    unsigned int getMaxIter() const;
    void setMaxIter( unsigned int value );
    string getStatus() const;
    double getConvergenceCriterion() const;
    void setConvergenceCriterion( double value );
    double getTotal( const unsigned int i ) const;
    void setTotal( const unsigned int i, double val );
    double getEigenvalue( const unsigned int i ) const;
    void setEigenvalue( double val, const unsigned int i );
    unsigned int getStateType() const;
    unsigned int getNnegEigenvalues() const;
    unsigned int getNposEigenvalues() const;
    unsigned int getSolutionStatus() const;

    // Msg Dest function definitions
    void setupMatrix();
    void settleFunc();
    void resettleFunc();
    void settle( bool forceSetup );
    void showMatricesFunc();
    void showMatrices();
    void randomizeInitialCondition( const Eref& e);
    static void assignY( double* S );

    // static void randomInitFunc();
    // void randomInit();
    // Utility functions for randomInit
    /*
    int isLastConsvMol( int i );
    void recalcRemainingTotal(
        vector< double >& y, vector< double >& tot );
    */

    void fitConservationRules(
        boost::numeric::ublas::matrix< value_type_ >& U
        , const vector< value_type_ >& eliminatedTotal
        , vector <value_type_> &yi
    );

    // funcs to handle externally imposed changes in mol N
    static void setMolN( double y, unsigned int i );
    // static void assignStoichFunc( void* stoich );
    // void assignStoichFuncLocal( void* stoich );
    void classifyState( const double* T );
    static const double EPSILON;
    static const double DELTA;

    static const Cinfo* initCinfo();

private:
    void setupSSmatrix();

    // Internal fields.
    unsigned int nIter_;
    unsigned int maxIter_;
    bool badStoichiometry_;
    string status_;
    bool isInitialized_;
    bool isSetup_;
    double convergenceCriterion_;

    boost::numeric::ublas::matrix< value_type_ > LU_;
    boost::numeric::ublas::matrix< value_type_ > Nr_;
    boost::numeric::ublas::matrix< value_type_ > gamma_;

    Id stoich_;
    size_t numVarPools_;
    unsigned int nReacs_;
    unsigned int rank_;

    vector< double > total_;
    bool reassignTotal_;
    unsigned int nNegEigenvalues_;
    unsigned int nPosEigenvalues_;
    vector< double > eigenvalues_;
    unsigned int stateType_;
    unsigned int solutionStatus_;
    unsigned int numFailed_;
    VoxelPools pool_;

#if USE_BOOST_ODE
    NonlinearSystem* ss;
#endif

};

extern const Cinfo* initSteadyStateCinfo();

#endif // _STEADYSTATE_H