GrandCanonicalEvent.hh

Go to the documentation of this file.

#ifndef CASM_GrandCanonicalEvent_HH
#define CASM_GrandCanonicalEvent_HH

#include <vector>
#include "casm/external/Eigen/Dense"
#include "casm/CASM_global_definitions.hh"
#include "casm/monte_carlo/DoFMod.hh"

namespace CASM {


  class GrandCanonicalEvent {

  public:

    typedef Index size_type;

    GrandCanonicalEvent() {}

    GrandCanonicalEvent(size_type Nspecies, size_type Ncorr);


    void set_dEf(double dE);

    double dEf() const;


    Eigen::VectorXl &dN();

    const Eigen::VectorXl &dN() const;

    void set_dN(size_type species_type_index, long int dn);

    long int dN(size_type species_type_index) const;


    void set_dEpot(double dpot_nrg);

    double dEpot() const;

    Eigen::VectorXd &dCorr();

    const Eigen::VectorXd &dCorr() const;


    OccMod &occupational_change();

    const OccMod &occupational_change() const;


  private:

    Eigen::VectorXd m_dCorr;

    double m_dEf;

    double m_dEpot;

    Eigen::VectorXl m_dN;

    OccMod m_occ_mod;

  };


  inline GrandCanonicalEvent::GrandCanonicalEvent(size_type Nspecies, size_type Ncorr) :
    m_dCorr(Eigen::VectorXd(Ncorr)),
    m_dN(Eigen::VectorXl(Nspecies)) { }


  inline void GrandCanonicalEvent::set_dEf(double dEf) {
    m_dEf = dEf;
  }

  inline double GrandCanonicalEvent::dEf() const {
    return m_dEf;
  }


  inline Eigen::VectorXl &GrandCanonicalEvent::dN() {
    return m_dN;
  }

  inline const Eigen::VectorXl &GrandCanonicalEvent::dN() const {
    return m_dN;
  }

  inline void GrandCanonicalEvent::set_dN(size_type species_type_index, long int dNi) {
    m_dN(species_type_index) = dNi;
  }

  inline long int GrandCanonicalEvent::dN(size_type species_type_index) const {
    return m_dN(species_type_index);
  }


  inline void GrandCanonicalEvent::set_dEpot(double dEpot) {
    m_dEpot = dEpot;
  }

  inline double GrandCanonicalEvent::dEpot() const {
    return m_dEpot;
  }

  inline Eigen::VectorXd &GrandCanonicalEvent::dCorr() {
    return m_dCorr;
  }

  inline const Eigen::VectorXd &GrandCanonicalEvent::dCorr() const {
    return m_dCorr;
  }


  inline OccMod &GrandCanonicalEvent::occupational_change() {
    return m_occ_mod;
  }

  inline const OccMod &GrandCanonicalEvent::occupational_change() const {
    return m_occ_mod;
  }

}

#endif