KIM_ComputeArgumentName.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-v2-2.0.0 package.
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#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_