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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_COMPUTE_ARGUMENT_NAME_HPP_
#define KIM_COMPUTE_ARGUMENT_NAME_HPP_
#include <string>
namespace KIM
{
// Forward declaration
class DataType;
/// \brief An \ref extensible_enumeration "Extensible Enumeration" for the
/// ComputeArgumentName's supported by the %KIM API.
///
/// The enumeration constants are contained in the COMPUTE_ARGUMENT_NAME
/// namespace.
///
/// \sa KIM_ComputeArgumentName,
/// kim_compute_argument_name_module::kim_compute_argument_name_type
///
/// \since 2.0
class ComputeArgumentName
{
public:
/// \brief Integer identifying the specific ComputeArgumentName represented.
///
/// \note This should not be directly accessed and is only public for
/// cross-language reasons.
///
/// \sa KIM_ComputeArgumentName::computeArgumentNameID,
/// kim_compute_argument_name_module::kim_compute_argument_name_type::<!--
/// -->compute_argument_name_id
///
/// \since 2.0
int computeArgumentNameID;
/// \brief Create an uninitialized ComputeArgumentName object.
///
/// \since 2.0
ComputeArgumentName();
/// \brief Create a ComputeArgumentName object with the specified id.
///
/// \note This should not be used directly.
///
/// \since 2.0
ComputeArgumentName(int const id);
/// \brief Create a ComputeArgumentName 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_ComputeArgumentName_FromString,
/// kim_compute_argument_name_module::kim_from_string
///
/// \since 2.0
ComputeArgumentName(std::string const & str);
/// \brief Determines if the object is a quantity known to the %KIM API.
///
/// ComputeArgumentName's known to the %KIM API are found in the
/// COMPUTE_ARGUMENT_NAME namespace.
///
/// \sa KIM_ComputeArgumentName_Known,
/// kim_compute_argument_name_module::kim_known
///
/// \since 2.0
bool Known() const;
/// \brief Compares ComputeArgumentName objects for equality.
///
/// \note Not all "unknown" objects are equal.
///
/// \sa KIM_ComputeArgumentName_Equal,
/// kim_compute_argument_name_module::operator(.eq.)
///
/// \since 2.0
bool operator==(ComputeArgumentName const & rhs) const;
/// \brief Compares ComputeArgumentName objects for inequality.
///
/// \note It is possible for two "unknown" objects to be not equal.
///
/// \sa KIM_ComputeArgumentName_NotEqual,
/// kim_compute_argument_name_module::operator(.ne.)
///
/// \since 2.0
bool operator!=(ComputeArgumentName const & rhs) const;
/// \brief Converts the object to a string.
///
/// \return A string object representing the ComputeArgumentName object.
///
/// \note If the ComputeArgumentName object does not correspond to a value
/// defined by the %KIM API, then the string "unknown" is returned.
///
/// \sa KIM_ComputeArgumentName_ToString,
/// kim_compute_argument_name_module::kim_to_string
///
/// \since 2.0
std::string const & ToString() const;
}; // class ComputeArgumentName
/// \brief Contains the enumeration constants and the discovery routines for
/// the ComputeArgumentName \ref extensible_enumeration
/// "Extensible Enumeration".
namespace COMPUTE_ARGUMENT_NAME
{
/// \brief The standard \c numberOfParticles argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles,
/// kim_compute_argument_name_module::<!--
/// -->kim_compute_argument_name_number_of_particles
///
/// \since 2.0
extern ComputeArgumentName const numberOfParticles;
/// \brief The standard \c particleSpeciesCodes argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes,
/// kim_compute_argument_name_module::<!--
/// -->kim_compute_argument_name_particle_species_codes
///
/// \since 2.0
extern ComputeArgumentName const particleSpeciesCodes;
/// \brief The standard \c particleContributing argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_particleContributing,
/// kim_compute_argument_name_module::<!--
/// -->kim_compute_argument_name_particle_contributing
///
/// \since 2.0
extern ComputeArgumentName const particleContributing;
/// \brief The standard \c coordinates argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_coordinates,
/// kim_compute_argument_name_module::kim_compute_argument_name_coordinates
///
/// \since 2.0
extern ComputeArgumentName const coordinates;
/// \brief The standard \c partialEnergy argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_partialEnergy,
/// kim_compute_argument_name_module::kim_compute_argument_name_partial_energy
///
/// \since 2.0
extern ComputeArgumentName const partialEnergy;
/// \brief The standard \c partialForces argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_partialForces,
/// kim_compute_argument_name_module::kim_compute_argument_name_partial_forces
///
/// \since 2.0
extern ComputeArgumentName const partialForces;
/// \brief The standard \c partialParticleEnergy argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy,
/// kim_compute_argument_name_module::<!--
/// -->kim_compute_argument_name_partial_particle_energy
///
/// \since 2.0
extern ComputeArgumentName const partialParticleEnergy;
/// \brief The standard \c partialVirial argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_partialVirial,
/// kim_compute_argument_name_module::kim_compute_argument_name_partial_virial
///
/// \since 2.0
extern ComputeArgumentName const partialVirial;
/// \brief The standard \c partialParticleVirial argument.
///
/// \todo Add more detailed description of argument.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial,
/// kim_compute_argument_name_module::<!--
/// -->kim_compute_argument_name_partial_particle_virial
///
/// \since 2.0
extern ComputeArgumentName const partialParticleVirial;
/// \brief Get the number of standard ComputeArgumentName's defined by the %KIM
/// API.
///
/// \param[out] numberOfComputeArgumentNames The number of standard
/// ComputeArgumentName's defined by the %KIM API.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames,
/// kim_compute_argument_name_module::kim_get_number_of_compute_argument_names
///
/// \since 2.0
void GetNumberOfComputeArgumentNames(int * const numberOfComputeArgumentNames);
/// \brief Get the identity of each defined standard ComputeArgumentName.
///
/// \param[in] index Zero-based index uniquely labeling each defined standard
/// ComputeArgumentName. This index ordering is only guaranteed to
/// be stable during the lifetime of the current process.
/// \param[out] computeArgumentName The ComputeArgumentName object associated
/// with \c index.
///
/// \return \c true if `index < 0` or `index >= numberOfComputeArgumentNames`.
/// \return \c false otherwise.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName,
/// kim_compute_argument_name_module::kim_get_compute_argument_name
///
/// \since 2.0
int GetComputeArgumentName(int const index,
ComputeArgumentName * const computeArgumentName);
/// \brief Get the DataType of each defined standard ComputeArgumentName.
///
/// \param[in] computeArgumentName The ComputeArgumentName object of interest.
/// \param[out] dataType The DataType of the associated ComputeArgumentName.
///
/// \return \c true if \p computeArgumentName is "unknown".
/// \return \c false otherwise.
///
/// \sa KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType,
/// kim_compute_argument_name_module::kim_get_compute_argument_data_type
///
/// \since 2.0
int GetComputeArgumentDataType(ComputeArgumentName const computeArgumentName,
DataType * const dataType);
/// \brief Structure provided for use with std::map.
///
/// \since 2.0
struct Comparator
{
/// \brief Provides an (logically unmeaningful) ordering for
/// ComputeArgumentsName objects so that they can be stored in a std::map.
///
/// \since 2.0
bool operator()(ComputeArgumentName const & a,
ComputeArgumentName const & b) const
{
return a.computeArgumentNameID < b.computeArgumentNameID;
}
}; // struct Comparator
} // namespace COMPUTE_ARGUMENT_NAME
} // namespace KIM
#endif // KIM_COMPUTE_ARGUMENT_NAME_HPP_
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