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Minimizable.h

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

#ifndef MINIMIZABLE_H
#define MINIMIZABLE_H

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

#include <stdexcept>

class Minimizable
{
public:
        virtual double ObjectiveFunction(double *parameters)=0;
        virtual double *Gradient(double *parameters) {throw std::runtime_error("Gradient is not defined for this Minimizable");}
        virtual double **Hessian(double *parameters) {throw std::runtime_error("Hessian is not defined for this Minimizable");}
        virtual int GetNParameters()=0;
        // computes energy and entropy at temp T for a single set of parameters
        virtual double ComputeES(double *parameters, double T) = 0;
        // computes entropy shift (largely irrelevant constant) at temperature T
        virtual double EntropyShift(double T) = 0;
        // gives the free energy less the entropy shift
        virtual double F(double *parameters, double T) = 0;
        // gives the total free energy
        virtual double F0(double *parameters, double T) = 0;
        // returns last computed energy
        virtual double GetEnergyLastComputed() {return m_dEnergyLastComputed;}
        // returns last computed entropy
        virtual double GetEntropyLastComputed() {return m_dEntropyLastComputed;}
protected:
        double m_dEnergyLastComputed;
        double m_dEntropyLastComputed;
};



#endif // MINIMIZABLE_H

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