KIM_ComputeArgumentName.hpp

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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;

class ComputeArgumentName
{
 public:
  int computeArgumentNameID;

  ComputeArgumentName();

  ComputeArgumentName(int const id);

  ComputeArgumentName(std::string const & str);

  bool Known() const;

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

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

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

namespace COMPUTE_ARGUMENT_NAME
{
extern ComputeArgumentName const numberOfParticles;

extern ComputeArgumentName const particleSpeciesCodes;

extern ComputeArgumentName const particleContributing;

extern ComputeArgumentName const coordinates;

extern ComputeArgumentName const partialEnergy;

extern ComputeArgumentName const partialForces;

extern ComputeArgumentName const partialParticleEnergy;

extern ComputeArgumentName const partialVirial;

extern ComputeArgumentName const partialParticleVirial;


void GetNumberOfComputeArgumentNames(int * const numberOfComputeArgumentNames);

int GetComputeArgumentName(int const index,
                           ComputeArgumentName * const computeArgumentName);

int GetComputeArgumentDataType(ComputeArgumentName const computeArgumentName,
                               DataType * const dataType);

struct Comparator
{
  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_