MCData.hh

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#ifndef MCData_HH
#define MCData_HH

#include "casm/CASM_global_definitions.hh"

namespace CASM {

  class MCData {

  public:

    typedef unsigned long int size_type;

    MCData() :
      MCData(1) {}

    MCData(size_type count) :
      m_observation(Eigen::VectorXd::Zero(count)),
      m_size(0) {}

    void clear() {
      m_size = 0;
    }

    void push_back(double value) {

      m_observation(m_size) = value;
      ++m_size;

      // re-size as necessary by doubling reserved space
      if(m_size == m_observation.size()) {
        Eigen::VectorXd tmp = Eigen::VectorXd::Zero(m_observation.size() * 2);
        tmp.head(m_observation.size()) = m_observation;
        m_observation = tmp;
      }
    }

    Eigen::VectorBlock<const Eigen::VectorXd> observations() const {
      return m_observation.head(m_size);
    }

    size_type size() const {
      return m_size;
    }


  private:

    Eigen::VectorXd m_observation;

    size_type m_size;

  };

  class MCDataEquilibration {

  public:

    typedef MCData::size_type size_type;


    MCDataEquilibration() {}

    MCDataEquilibration(const Eigen::VectorXd &observations, double prec);

    bool is_equilibrated() const {
      return m_is_equilibrated;
    }

    size_type equilibration_samples() const {
      return m_equil_samples;
    }


  private:

    bool m_is_equilibrated;
    size_type m_equil_samples;

  };

  class MCDataConvergence {

  public:

    typedef MCData::size_type size_type;


    MCDataConvergence() {}

    MCDataConvergence(const Eigen::VectorXd &observations, double conf);

    bool is_converged(double prec) const {
      return m_calculated_prec <= prec;
    }

    double mean() const {
      return m_mean;
    }

    double squared_norm() const {
      return m_squared_norm;
    }

    double calculated_precision() const {
      return m_calculated_prec;
    }

  private:

    std::tuple<bool, double, double> _calc_rho(const Eigen::VectorXd &observations);

    bool m_is_converged;
    double m_mean;
    double m_squared_norm;
    double m_calculated_prec;

  };

}

#endif