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AlgebraicChemical.h

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// AlgebraicChemical.h: interface for the CAlgebraicChemical class.
//              These chemicals are not dynamical variables, they are
//    bookkeeping chemicals (algebraic functions of other chemicals
//    in the network).  Hence the Set functions for amount and
//    such are basically just dummies; they call the ComputeAmount()
//    function which is overloaded in derived classes with the correct
//    algebraic expression.  Set has the same format so that
//    compatibility is maintained with the base class.  This class
//        can also accommodate "chemicals" which are a function of rate
//        constants and other chemicals.

#if !defined(AFX_ALGEBRAICCHEMICAL_H__1E46E4E9_5F3B_4123_8B9C_131B88820DE3__INCLUDED_)
#define AFX_ALGEBRAICCHEMICAL_H__1E46E4E9_5F3B_4123_8B9C_131B88820DE3__INCLUDED_

#if _MSC_VER > 1000
#pragma once
#endif // _MSC_VER > 1000

#include "Chemical.h"


class CAlgebraicChemical : public Chemical  
{
public:
        CAlgebraicChemical(int chemicalNumber, std::string name, std::vector<Chemical *> chemRefVector);
        CAlgebraicChemical(int chemicalNumber, std::string name, std::vector<Chemical *> chemRefVector, std::vector<RateConstant *> rateRefVector);
        virtual ~CAlgebraicChemical();
        virtual void SetAmount(double amount);
        virtual void SetInitialAmount(double initialAmount);
        virtual void SetErrorInInitialAmount(double errorInInitialAmount);
        virtual void IncrementAmount(double change);
        virtual void Reset();
        void SetAll();
protected:
        // must be overloaded in derived classes - depend on the arithmetic expression  
        virtual void ComputeAmount() = 0;
        virtual void ComputeInitialAmount() = 0;
        virtual void ComputeErrorInInitialAmount() = 0;
        // chemicals which the AlgebraicChemical uses to compute its own
        // amount
        std::vector<Chemical *> m_vpChemRefVector;
        // ditto for rates
        std::vector<RateConstant *> m_vpRateRefVector;
};

#endif // !defined(AFX_ALGEBRAICCHEMICAL_H__1E46E4E9_5F3B_4123_8B9C_131B88820DE3__INCLUDED_)

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