KIM_EnergyUnit.hpp

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//
// Copyright (c) 2016--2019, Regents of the University of Minnesota.
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// Contributors:
//    Ryan S. Elliott
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// Release: This file is part of the kim-api-2.1.2 package.
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#ifndef KIM_ENERGY_UNIT_HPP_
#define KIM_ENERGY_UNIT_HPP_

#include <string>

namespace KIM
{
class EnergyUnit
{
 public:
  int energyUnitID;

  EnergyUnit();

  EnergyUnit(int const id);

  EnergyUnit(std::string const & str);

  bool Known() const;

  bool operator==(EnergyUnit const & rhs) const;

  bool operator!=(EnergyUnit const & rhs) const;

  std::string const & ToString() const;
};  // class EnergyUnit

namespace ENERGY_UNIT
{
extern EnergyUnit const unused;

extern EnergyUnit const amu_A2_per_ps2;

extern EnergyUnit const erg;

extern EnergyUnit const eV;

extern EnergyUnit const Hartree;

extern EnergyUnit const J;

extern EnergyUnit const kcal_mol;

void GetNumberOfEnergyUnits(int * const numberOfEnergyUnits);

int GetEnergyUnit(int const index, EnergyUnit * const energyUnit);

struct Comparator
{
  bool operator()(EnergyUnit const & a, EnergyUnit const & b) const
  {
    return a.energyUnitID < b.energyUnitID;
  }
};  // struct Comparator
}  // namespace ENERGY_UNIT
}  // namespace KIM

#endif  // KIM_ENERGY_UNIT_HPP_