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//
// KIM-API: An API for interatomic models
// Copyright (c) 2013--2022, Regents of the University of Minnesota.
// All rights reserved.
//
// Contributors:
// Ryan S. Elliott
//
// SPDX-License-Identifier: LGPL-2.1-or-later
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation,
// Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
//
//
// Release: This file is part of the kim-api.git repository.
//
#ifndef KIM_ENERGY_UNIT_HPP_
#define KIM_ENERGY_UNIT_HPP_
#include <string>
namespace KIM
{
/// \brief An \ref extensible_enumeration "Extensible Enumeration" for the
/// EnergyUnit's supported by the %KIM API.
///
/// The enumeration constants are contained in the ENERGY_UNIT namespace.
///
/// \sa KIM_EnergyUnit, kim_energy_unit_module::kim_energy_unit_type
///
/// \since 2.0
class EnergyUnit
{
public:
/// \brief Integer identifying the specific EnergyUnit represented.
///
/// \note This should not be directly accessed and is only public for
/// cross-language reasons.
///
/// \sa KIM_EnergyUnit::energyUnitID,
/// kim_energy_unit_module::kim_energy_unit_type::energy_unit_id
///
/// \since 2.0
int energyUnitID;
/// \brief Create an uninitialized EnergyUnit object.
///
/// \since 2.0
EnergyUnit();
/// \brief Create a EnergyUnit object with the specified id.
///
/// \note This should not be used directly.
///
/// \since 2.0
EnergyUnit(int const id);
/// \brief Create an EnergyUnit object corresponding to the provided string.
/// If the string does not match one of the values defined by the %KIM API,
/// then an "unknown" object is generated.
///
/// \sa KIM_EnergyUnit_FromString,
/// kim_energy_unit_module::kim_from_string
///
/// \since 2.0
EnergyUnit(std::string const & str);
/// \brief Determines if the object is a quantity known to the %KIM API.
///
/// EnergyUnit's known to the %KIM API are found in the ENERGY_UNIT
/// namespace.
///
/// \sa KIM_EnergyUnit_Known,
/// kim_energy_unit_module::kim_known
///
/// \since 2.0
bool Known() const;
/// \brief Compares EnergyUnit objects for equality.
///
/// \note Not all "unknown" objects are equal.
///
/// \sa KIM_EnergyUnit_Equal,
/// kim_energy_unit_module::operator(.eq.)
///
/// \since 2.0
bool operator==(EnergyUnit const & rhs) const;
/// \brief Compares EnergyUnit objects for inequality.
///
/// \note It is possible for two "unknown" objects to be not equal.
///
/// \sa KIM_EnergyUnit_NotEqual,
/// kim_energy_unit_module::operator(.ne.)
///
/// \since 2.0
bool operator!=(EnergyUnit const & rhs) const;
/// \brief Converts the object to a string.
///
/// \return A string object representing the EnergyUnit object.
///
/// \note If the EnergyUnit object does not correspond to a value defined by
/// the %KIM API, then the string "unknown" is returned.
///
/// \sa KIM_EnergyUnit_ToString,
/// kim_energy_unit_module::kim_to_string
///
/// \since 2.0
std::string const & ToString() const;
}; // class EnergyUnit
/// \brief Contains the enumeration constants and the discovery routines for
/// the EnergyUnit \ref extensible_enumeration "Extensible Enumeration".
namespace ENERGY_UNIT
{
/// \brief Indicates that a EnergyUnit is not used.
///
/// \sa KIM_ENERGY_UNIT_unused,
/// kim_energy_unit_module::kim_energy_unit_unused
///
/// \since 2.0
extern EnergyUnit const unused;
/// \brief The standard `amu*A`\f$^2\f$`/ps`\f$^2\f$ unit of energy.
///
/// \sa KIM_ENERGY_UNIT_amu_A2_per_ps2,
/// kim_energy_unit_module::kim_energy_unit_amu_a2_per_ps2
///
/// \since 2.0
extern EnergyUnit const amu_A2_per_ps2;
/// \brief The standard erg unit of energy.
///
/// \sa KIM_ENERGY_UNIT_erg,
/// kim_energy_unit_module::kim_energy_unit_erg
///
/// \since 2.0
extern EnergyUnit const erg;
/// \brief The standard electronvolt unit of energy.
///
/// \sa KIM_ENERGY_UNIT_eV,
/// kim_energy_unit_module::kim_energy_unit_ev
///
/// \since 2.0
extern EnergyUnit const eV;
/// \brief The standard Hartree unit of energy.
///
/// \sa KIM_ENERGY_UNIT_Hartre,
/// kim_energy_unit_module::kim_energy_unit_hartree
///
/// \since 2.0
extern EnergyUnit const Hartree;
/// \brief The standard Joule unit of energy.
///
/// \sa KIM_ENERGY_UNIT_J,
/// kim_energy_unit_module::kim_energy_unit_j
///
/// \since 2.0
extern EnergyUnit const J;
/// \brief The standard kilocalorie per mole unit of energy.
///
/// \sa KIM_ENERGY_UNIT_kcal_mol,
/// kim_energy_unit_module::kim_energy_unit_kcal_mol
///
/// \since 2.0
extern EnergyUnit const kcal_mol;
/// \brief Get the number of standard EnergyUnit's defined by the %KIM API.
///
/// \param[out] numberOfEnergyUnits The number of standard EnergyUnit's defined
/// by the %KIM API.
///
/// \sa KIM_ENERGY_UNIT_GetNumberOfEnergyUnits,
/// kim_energy_unit_module::kim_get_number_of_energy_units
///
/// \since 2.0
void GetNumberOfEnergyUnits(int * const numberOfEnergyUnits);
/// \brief Get the identity of each defined standard EnergyUnit.
///
/// \param[in] index Zero-based index uniquely labeling each defined standard
/// EnergyUnit. This index ordering is only guaranteed to be
/// stable during the lifetime of the current process.
/// \param[out] energyUnit The EnergyUnit object associated with \c index.
///
/// \return \c true if `index < 0` or `index >= numberOfEnergyUnits`.
/// \return \c false otherwise.
///
/// \sa KIM_ENERGY_UNIT_GetEnergyUnit,
/// kim_energy_unit_module::kim_get_energy_unit
///
/// \since 2.0
int GetEnergyUnit(int const index, EnergyUnit * const energyUnit);
/// \brief Structure provided for use with std::map.
///
/// \since 2.0
struct Comparator
{
/// \brief Provides an (logically unmeaningful) ordering for EnergyUnit
/// objects so that they can be stored in a std::map.
///
/// \since 2.0
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_
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