ksolve/FuncRateTerm.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) 2003-2010 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.
**********************************************************************/

class FuncRate: public ExternReac
{
    public:
        FuncRate( double k, unsigned int targetPoolIndex )
            : k_( k ), funcVolPower_( 0.0 )
        {
            func_.setTarget( targetPoolIndex );
        }

        double operator() ( const double* S ) const {
            return func_( S, 0.0 ); // get rate from func calculation.
        }

        unsigned int getReactants( vector< unsigned int >& molIndex ) const{
            molIndex.resize( 1 );
            molIndex[0] = func_.getTarget();

            // This is the number of substrates to the reac. It is zero.
            return 0; 
            // The target molecule is handled as a product.
        }

        void setReactants( const vector< unsigned int >& molIndex ) {
            assert( molIndex.size() > 0 );
            func_.setTarget( molIndex[0] );
        }

        const vector< unsigned int >& getFuncArgIndex()
        {
            return func_.getReactantIndex();
        }

        void setFuncArgIndex( const vector< unsigned int >& mol ) {
            func_.setReactantIndex( mol );
        }
        
        void setExpr( const string& s ) {
            func_.setExpr( s );
        }
        const string& getExpr() const {
            return func_.getExpr();
        }

        RateTerm* copyWithVolScaling(
                double vol, double sub, double prd ) const
        {
            double ratio = sub * pow( NA * vol, funcVolPower_ );
            FuncRate* ret = new FuncRate( k_ / ratio, func_.getTarget() );
            ret->funcVolPower_ = funcVolPower_;
            ret->func_ = func_;
            // return new FuncRate( k_ / ratio );
            return ret;
        }

    protected:
        FuncTerm func_;
        double k_;
        double funcVolPower_;
    
};


class FuncReac: public FuncRate
{
    public:
        FuncReac( double k, vector< unsigned int > v )
            : FuncRate( k, 0 ),
            v_( v )
        {;}

        double operator() ( const double* S ) const {
            // double ret = k_ * func_( S, 0.0 ); // get rate from func calculation.
            double ret = func_( S, 0.0 ); // get rate from func calculation.
            vector< unsigned int >::const_iterator i;
            for ( i = v_.begin(); i != v_.end(); i++) {
                assert( !std::isnan( S[ *i ] ) );
                ret *= S[ *i ];
            }
            return ret;
        }

        unsigned int getReactants( vector< unsigned int >& molIndex ) const{
            molIndex = v_;
            return numSubstrates_;
        }

        void setReactants( const vector< unsigned int >& molIndex ) {
            v_ = molIndex;
        }

        void rescaleVolume( short comptIndex, 
            const vector< short >& compartmentLookup, double ratio )
        {
            for ( unsigned int i = 1; i < v_.size(); ++i ) {
                if ( comptIndex == compartmentLookup[ v_[i] ] )
                    k_ /= ratio;
            }
        }


        RateTerm* copyWithVolScaling(
                double vol, double sub, double prd ) const
        {
            assert( v_.size() > 0 );
            double ratio = sub * pow( NA * vol, 
                            funcVolPower_ + (int)( v_.size() ) - 1 );
            FuncReac* ret = new FuncReac( k_ / ratio, v_ );
            ret->func_ = func_;
            ret->funcVolPower_ = funcVolPower_;
            return ret;
            // return new FuncReac( k_ / ratio, v_ );
        }

    private:
        vector< unsigned int > v_;
        unsigned int numSubstrates_;
};

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