KIM API V2
KIM_ModelCompute.hpp
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32 
33 
34 #ifndef KIM_MODEL_COMPUTE_HPP_
35 #define KIM_MODEL_COMPUTE_HPP_
36 
37 #include <string>
38 
39 namespace KIM
40 {
41 // Forward declarations
42 class LogVerbosity;
43 class ArgumentName;
44 class CallbackName;
45 
46 
48  public:
49  int GetNeighborList(int const neighborListIndex, int const particleNumber,
50  int * const numberOfNeighbors,
51  int const ** const neighborsOfParticle) const;
52 
53  int ProcessDEDrTerm(double const de, double const r, double const * const dx,
54  int const i, int const j) const;
55 
56  int ProcessD2EDr2Term(double const de, double const * const r,
57  double const * const dx, int const * const i,
58  int const * const j) const;
59 
60  int GetArgumentPointer(ArgumentName const argumentName,
61  int const ** const ptr) const;
62  int GetArgumentPointer(ArgumentName const argumentName,
63  int ** const ptr) const;
64  int GetArgumentPointer(ArgumentName const argumentName,
65  double const ** const ptr) const;
66  int GetArgumentPointer(ArgumentName const argumentName,
67  double ** const ptr) const;
68 
69  int IsCallbackPresent(CallbackName const callbackName, int * const present)
70  const;
71 
72  void GetModelBufferPointer(void ** const ptr) const;
73 
74  void LogEntry(LogVerbosity const logVerbosity, std::string const & message,
75  int const lineNumber, std::string const & fileName) const;
76  std::string String() const;
77 
78  private:
79  // do not allow copy constructor or operator=
80  ModelCompute(ModelCompute const &);
81  void operator=(ModelCompute const &);
82 
83  ModelCompute();
84  ~ModelCompute();
85 
86  class ModelComputeImplementation;
87  ModelComputeImplementation * pimpl;
88 }; // class ModelCompute
89 } // namespace KIM
90 #endif // KIM_MODEL_COMPUTE_HPP_
int ProcessDEDrTerm(double const de, double const r, double const *const dx, int const i, int const j) const
int GetNeighborList(int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle) const
int GetArgumentPointer(ArgumentName const argumentName, int const **const ptr) const
int IsCallbackPresent(CallbackName const callbackName, int *const present) const
void LogEntry(LogVerbosity const logVerbosity, std::string const &message, int const lineNumber, std::string const &fileName) const
void GetModelBufferPointer(void **const ptr) const
int ProcessD2EDr2Term(double const de, double const *const r, double const *const dx, int const *const i, int const *const j) const
std::string String() const