CanonicalConditions.hh

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#ifndef CASM_CanonicalConditions_HH
#define CASM_CanonicalConditions_HH

#include "casm/CASM_global_definitions.hh"

namespace CASM {

  class PrimClex;

  namespace Monte {

    class MonteSettings;

    class CanonicalConditions {
    public:

      CanonicalConditions() {}

      CanonicalConditions(const PrimClex &_primclex,
                          double _temperature,
                          const Eigen::VectorXd &_param_comp,
                          double _tol);

      // ***************************************ACCESSORS********************************************** //

      const PrimClex &primclex() const;

      double temperature() const;

      double beta() const;

      Eigen::VectorXd param_composition() const;

      double param_composition(Index index) const;

      Eigen::VectorXd mol_composition() const;

      double mol_composition(Index index) const;


      double tolerance() const;

      // ***************************************MUTATORS*********************************************** //

      void set_temperature(double in_temp);

      void set_param_composition(const Eigen::VectorXd &in_param_comp);

      void set_param_composition(Index ind, double in_param_comp);


      // ***************************************OPERATORS********************************************** //

      CanonicalConditions &operator+=(const CanonicalConditions &RHS);

      CanonicalConditions operator+(const CanonicalConditions &RHS) const;

      CanonicalConditions &operator-=(const CanonicalConditions &RHS);

      CanonicalConditions operator-(const CanonicalConditions &RHS) const;

      bool operator==(const CanonicalConditions &RHS) const;

      bool operator!=(const CanonicalConditions &RHS) const;

      int operator/(const CanonicalConditions &RHS_inc) const;


    protected:

      const PrimClex *m_primclex;

      double m_temperature;

      double m_beta;

      Eigen::VectorXd m_param_composition;

      double m_tolerance;


    };

    std::ostream &operator<<(std::ostream &sout, const CanonicalConditions &cond);
  }
}

#endif