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NetworkMinimizableDirector.h

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// NetworkMinimizableDirector.h: interface for the NetworkMinimizableDirector class.
//

#if !defined(AFX_NETWORKMINIMIZABLEDIRECTOR_H__C03A8E92_E561_4180_B799_A6972926C1B7__INCLUDED_)
#define AFX_NETWORKMINIMIZABLEDIRECTOR_H__C03A8E92_E561_4180_B799_A6972926C1B7__INCLUDED_

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

#include "SingleNetworkMinimizable.h"

class NetworkMinimizableDirector : public NLLSMinimizable
{
public:
        NetworkMinimizableDirector();
        virtual ~NetworkMinimizableDirector();
        // Inherited from Minimizable - should return the size of Union_i(p_i) over 
        // _minimizableList (pure virtual)
        virtual int GetNParameters() = 0;
        // Inherited from Minimizable - returns the summed objective function for all 
        // minimizables in _minimizableList
        virtual double ObjectiveFunction(double *parameters);
        // Inherited from NLLSMinimizable - computes residuals for all the individual 
        // minimizables in _minimizableList and stores them appropriately
        virtual double ComputeResiduals(double *parameters);
        virtual double ComputeES(double *parameters, double T);
        virtual double EntropyShift(double T);
        virtual double F(double *parameters, double T);
        virtual double F0(double *parameters, double T);
        // Inherited from Minimizable - should return the appropriate parameter
        // (pure virtual)
        virtual double GetParameter(int parIndex) = 0;
        // Returns a single mover
        virtual CReactionMover *GetMover(int moverIndex) {return _moverList[moverIndex];}
        // Returns the number of experiments
        virtual int GetNExperiments() const {return _experimentList.size();}
        // Returns a single reaction network
        virtual ReactionNetwork *GetReactionNetwork(int networkIndex) {return _networkList[networkIndex];}
        // Dumps information about residuals order to a file
        virtual void DumpResidualInfo();
private:
        // Initialization of conditions for each minimizable
        virtual void DefineExperiments() = 0;
protected:
//      std::vector<SingleNetworkMinimizable *> _minimizableList;
        std::vector<NetworkMinimizable *> _minimizableList;
        std::vector<Experiment *> _experimentList;
        std::vector<ReactionNetwork *> _networkList;
        std::vector<CReactionMover *> _moverList;
        // indices of parameters (if any) that have a cost for deviation from guessed values
        std::vector<int> m_iPriorList;
        // penalty for difficult integrations; always make it the last residual in
        // the list
        double m_dGammaSquared;
};

#endif // !defined(AFX_NETWORKMINIMIZABLEDIRECTOR_H__C03A8E92_E561_4180_B799_A6972926C1B7__INCLUDED_)

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