mcpele/record_pair_dist_histogram.h

#ifndef _MCPELE_RECORD_PAIR_DIST_HISTOGRAM_H__
#define _MCPELE_RECORD_PAIR_DIST_HISTOGRAM_H__

#include "mc.h"
#include "pair_dist_histogram.h"

namespace mcpele {

template<size_t BOXDIM>
class RecordPairDistHistogram : public Action {
private:
    mcpele::PairDistHistogram<BOXDIM> m_hist_gr;
    const size_t m_eqsteps;
    const size_t m_record_every;
public:
    RecordPairDistHistogram(pele::Array<double> boxvector, const size_t nr_bins, const size_t eqsteps, const size_t record_every)
        : m_hist_gr(boxvector, nr_bins),
          m_eqsteps(eqsteps),
          m_record_every(record_every)
    {}
    virtual ~RecordPairDistHistogram() {}
    virtual void action(pele::Array<double>& coords, double energy, bool accepted, MC* mc)
    {
        const size_t count = mc->get_iterations_count();
        if (count > m_eqsteps) {
            if (count % m_record_every == 0) {
                m_hist_gr.add_configuration(coords);
            }
        }
    }
    size_t get_eqsteps() const
    {
        return m_eqsteps;
    }
    pele::Array<double> get_hist_r() const
    {
        std::vector<double> vecdata(m_hist_gr.get_vecdata_r());
        return pele::Array<double>(vecdata).copy();
    }
    pele::Array<double> get_hist_gr(const double number_density, const size_t nr_particles) const
    {
        std::vector<double> vecdata(m_hist_gr.get_vecdata_gr(number_density, nr_particles));
        return pele::Array<double>(vecdata).copy();
    }
};

} // namespace mcpele

#endif // #ifndef _MCPELE_RECORD_PAIR_DIST_HISTOGRAM_H__