MetropolisHastingsSampler.h

/*
 * BasicMetropolisSampling.h
 *
 *  Created on: Jul 24, 2012
 *      Author: Yajia
 */

#ifndef BASICMETROPOLISSAMPLING_H_
#define BASICMETROPOLISSAMPLING_H_
#include "BFactor.h"
#include "RamachandranPlot.h"
#include "PProtein.h"
#include "math/Gaussian.h"
using namespace Math;


class MHSampler {
public:
    MHSampler(PProtein* chain);
    virtual ~MHSampler();

    void sample( const double time, const double radius);

    void enableBfactors( PProtein* chain = NULL);

    void disableBfactors();
private:
    BFactor* bfactor;
    RamachandranPlot rplot;
    PProtein* chain;

    bool MHStep( double P, double Q, double P_proposal, double Q_proposal);

    double getP_log( PProtein* chain);

    bool use_BFactor;
};

#endif /* BASICMETROPOLISSAMPLING_H_ */