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AcceptanceRatioFreeEnergyEstimator.h

Go to the documentation of this file.

// AcceptanceRatioFreeEnergyEstimator.h: interface for the CAcceptanceRatioFreeEnergyEstimator class.
//

#if !defined(AFX_ACCEPTANCERATIOFREEENERGYESTIMATOR_H__871FA004_AD66_4CDE_89BB_7D894AF3BBB2__INCLUDED_)
#define AFX_ACCEPTANCERATIOFREEENERGYESTIMATOR_H__871FA004_AD66_4CDE_89BB_7D894AF3BBB2__INCLUDED_

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

#include <fstream>
#include <vector>
#include <iomanip>
#include "Minimizable.h"
#include "ParameterTranslator.h"
#include "ParameterReader.h"
using namespace std;

class CAcceptanceRatioFreeEnergyEstimator  
{
public:
        CAcceptanceRatioFreeEnergyEstimator();
        CAcceptanceRatioFreeEnergyEstimator(Minimizable *pS0, int n0, Minimizable *pS1, int n1, CParameterTranslator *pTrans);
        virtual ~CAcceptanceRatioFreeEnergyEstimator();
        void ComputeHistograms();
        void LoadEnsemble(std::string f0name, std::string f1name);
private:
        int m_iN0;
        int m_iN1;
        std::vector<double *> m_vpdEnsemble0;
        std::vector<double *> m_vpdEnsemble1;
        Minimizable *m_pSystem0;
        Minimizable *m_pSystem1;
        CParameterTranslator *m_pTranslator;
        std::vector<double> m_vdHistogram0;
        std::vector<double> m_vdHistogram1;
};

#endif // !defined(AFX_ACCEPTANCERATIOFREEENERGYESTIMATOR_H__871FA004_AD66_4CDE_89BB_7D894AF3BBB2__INCLUDED_)

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