MCData.hh

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#ifndef MCData_HH
#define MCData_HH
 
#include "casm/global/definitions.hh"
#include "casm/global/eigen.hh"
#include "casm/monte_carlo/MonteDefinitions.hh"
 
namespace CASM {
namespace Monte {
 
class MCData {
 public:
  typedef Monte::size_type 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;
};
 
}  // namespace Monte
}  // namespace CASM
 
#endif