src/gromacs/tables/tableinput.h

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  35
  36 /*! \libinternal \file
  37  * \brief
  38  * Declares structures for analytical or numerical input data to construct tables
  39  *
  40  * \inlibraryapi
  41  * \author Erik Lindahl <erik.lindahl@gmail.com>
  42  * \ingroup module_tables
  43  */
  44
  45 #ifndef GMX_TABLES_TABLEINPUT_H
  46 #define GMX_TABLES_TABLEINPUT_H
  47
  48 #include <functional>
  49 #include <vector>
  50
  51 #include "gromacs/utility/arrayref.h"
  52
  53 namespace gmx
  54 {
  55
  56 /*! \libinternal \brief Specification for analytical table function (name, function, derivative)
  57  */
  58 struct
  59 AnalyticalSplineTableInput
  60 {
  61     //NOLINTNEXTLINE(google-runtime-member-string-references)
  62     const std::string                    &desc;        //!< \libinternal Brief description of function
  63     std::function<double(double)>         function;    //!< \libinternal Analytical form of function
  64     std::function<double(double)>         derivative;  //!< \libinternal Analytical derivative
  65 };
  66
  67 /*! \libinternal \brief Specification for vector table function (name, function, derivative, spacing)
  68  */
  69 struct
  70 NumericalSplineTableInput
  71 {
  72     //NOLINTNEXTLINE(google-runtime-member-string-references)
  73     const std::string                    &desc;        //!< \libinternal Brief description of function
  74     ArrayRef<const double>                function;    //!< \libinternal Vector with function values
  75     ArrayRef<const double>                derivative;  //!< \libinternal Vector with derivative values
  76     double                                spacing;     //!< \libinternal Distance between data points
  77 };
  78
  79
  80 } // namespace gmx
  81
  82
  83 #endif // GMX_TABLES_TABLEINPUT_H