KIM_ModelComputeArguments.hpp

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//
// Copyright (c) 2016--2019, Regents of the University of Minnesota.
// All rights reserved.
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// Contributors:
//    Ryan S. Elliott
//

//
// Release: This file is part of the kim-api-2.1.2 package.
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#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_HPP_
#define KIM_MODEL_COMPUTE_ARGUMENTS_HPP_

#include <sstream>
#include <string>

namespace KIM
{
// Forward declarations
class LogVerbosity;
class ComputeArgumentName;
class ComputeCallbackName;
class ModelComputeArgumentsImplementation;


class ModelComputeArguments
{
 public:

  int GetNeighborList(int const neighborListIndex,
                      int const particleNumber,
                      int * const numberOfNeighbors,
                      int const ** const neighborsOfParticle) const;

  int ProcessDEDrTerm(double const de,
                      double const r,
                      double const * const dx,
                      int const i,
                      int const j) const;

  int ProcessD2EDr2Term(double const de,
                        double const * const r,
                        double const * const dx,
                        int const * const i,
                        int const * const j) const;

  int GetArgumentPointer(ComputeArgumentName const computeArgumentName,
                         int const ** const ptr) const;

  int GetArgumentPointer(ComputeArgumentName const computeArgumentName,
                         int ** const ptr) const;

  int GetArgumentPointer(ComputeArgumentName const computeArgumentName,
                         double const ** const ptr) const;

  int GetArgumentPointer(ComputeArgumentName const computeArgumentName,
                         double ** const ptr) const;

  int IsCallbackPresent(ComputeCallbackName const computeCallbackName,
                        int * const present) const;

  void SetModelBufferPointer(void * const ptr);

  void GetModelBufferPointer(void ** const ptr) const;

  void LogEntry(LogVerbosity const logVerbosity,
                std::string const & message,
                int const lineNumber,
                std::string const & fileName) const;

  void LogEntry(LogVerbosity const logVerbosity,
                std::stringstream const & message,
                int const lineNumber,
                std::string const & fileName) const;

  std::string const & ToString() const;

 private:
  // do not allow copy constructor or operator=
  ModelComputeArguments(ModelComputeArguments const &);
  void operator=(ModelComputeArguments const &);

  ModelComputeArguments();
  ~ModelComputeArguments();

  ModelComputeArgumentsImplementation * pimpl;
};  // class ModelComputeArguments
}  // namespace KIM

#endif  // KIM_MODEL_COMPUTE_ARGUMENTS_HPP_