//! \file mgxs.h //! A collection of classes for Multi-Group Cross Section data #ifndef OPENMC_MGXS_H #define OPENMC_MGXS_H #include #include #include "xtensor/xtensor.hpp" #include "openmc/constants.h" #include "openmc/hdf5_interface.h" #include "openmc/xsdata.h" namespace openmc { //============================================================================== // Cache contains the cached data for an MGXS object //============================================================================== struct CacheData { double sqrtkT; // last temperature corresponding to t int t; // temperature index int a; // angle index // last angle that corresponds to a double u; double v; double w; }; //============================================================================== // MGXS contains the mgxs data for a nuclide/material //============================================================================== class Mgxs { private: xt::xtensor kTs; // temperature in eV (k * T) int scatter_format; // flag for if this is legendre, histogram, or tabular int num_delayed_groups; // number of delayed neutron groups int num_groups; // number of energy groups std::vector xs; // Cross section data // MGXS Incoming Flux Angular grid information bool is_isotropic; // used to skip search for angle indices if isotropic int n_pol; int n_azi; std::vector polar; std::vector azimuthal; //! \brief Initializes the Mgxs object metadata //! //! @param in_name Name of the object. //! @param in_awr atomic-weight ratio. //! @param in_kTs temperatures (in units of eV) that data is available. //! @param in_fissionable Is this item fissionable or not. //! @param in_scatter_format Denotes whether Legendre, Tabular, or //! Histogram scattering is used. //! @param in_is_isotropic Is this an isotropic or angular with respect to //! the incoming particle. //! @param in_polar Polar angle grid. //! @param in_azimuthal Azimuthal angle grid. void init(const std::string& in_name, double in_awr, const std::vector& in_kTs, bool in_fissionable, int in_scatter_format, bool in_is_isotropic, const std::vector& in_polar, const std::vector& in_azimuthal); //! \brief Initializes the Mgxs object metadata from the HDF5 file //! //! @param xs_id HDF5 group id for the cross section data. //! @param temperature Temperatures to read. //! @param temps_to_read Resultant list of temperatures in the library //! to read which correspond to the requested temperatures. //! @param order_dim Resultant dimensionality of the scattering order. void metadata_from_hdf5(hid_t xs_id, const std::vector& temperature, std::vector& temps_to_read, int& order_dim); //! \brief Performs the actual act of combining the microscopic data for a //! single temperature. //! //! @param micros Microscopic objects to combine. //! @param scalars Scalars to multiply the microscopic data by. //! @param micro_ts The temperature index of the microscopic objects that //! corresponds to the temperature of interest. //! @param this_t The temperature index of the macroscopic object. void combine(const std::vector& micros, const std::vector& scalars, const std::vector& micro_ts, int this_t); //! \brief Checks to see if this and that are able to be combined //! //! This comparison is used when building macroscopic cross sections //! from microscopic cross sections. //! @param that The other Mgxs to compare to this one. //! @return True if they can be combined, False otherwise. bool equiv(const Mgxs& that); public: std::string name; // name of dataset, e.g., UO2 double awr; // atomic weight ratio bool fissionable; // Is this fissionable std::vector cache; // index and data cache Mgxs() = default; //! \brief Constructor that loads the Mgxs object from the HDF5 file //! //! @param xs_id HDF5 group id for the cross section data. //! @param temperature Temperatures to read. Mgxs(hid_t xs_id, const std::vector& temperature); //! \brief Constructor that initializes and populates all data to build a //! macroscopic cross section from microscopic cross section. //! //! @param in_name Name of the object. //! @param mat_kTs temperatures (in units of eV) that data is needed. //! @param micros Microscopic objects to combine. //! @param atom_densities Atom densities of those microscopic quantities. Mgxs(const std::string& in_name, const std::vector& mat_kTs, const std::vector& micros, const std::vector& atom_densities); //! \brief Provides a cross section value given certain parameters //! //! @param xstype Type of cross section requested, according to the //! enumerated constants. //! @param gin Incoming energy group. //! @param gout Outgoing energy group; use nullptr if irrelevant, or if a //! sum is requested. //! @param mu Cosine of the change-in-angle, for scattering quantities; //! use nullptr if irrelevant. //! @param dg delayed group index; use nullptr if irrelevant. //! @return Requested cross section value. double get_xs(int xstype, int gin, const int* gout, const double* mu, const int* dg); //! \brief Samples the fission neutron energy and if prompt or delayed. //! //! @param gin Incoming energy group. //! @param dg Sampled delayed group index. //! @param gout Sampled outgoing energy group. void sample_fission_energy(int gin, int& dg, int& gout); //! \brief Samples the outgoing energy and angle from a scatter event. //! //! @param gin Incoming energy group. //! @param gout Sampled outgoing energy group. //! @param mu Sampled cosine of the change-in-angle. //! @param wgt Weight of the particle to be adjusted. void sample_scatter(int gin, int& gout, double& mu, double& wgt); //! \brief Calculates cross section quantities needed for tracking. //! //! @param gin Incoming energy group. //! @param sqrtkT Temperature of the material. //! @param u Incoming particle direction. //! @param total_xs Resultant total cross section. //! @param abs_xs Resultant absorption cross section. //! @param nu_fiss_xs Resultant nu-fission cross section. void calculate_xs(int gin, double sqrtkT, Direction u, double& total_xs, double& abs_xs, double& nu_fiss_xs); //! \brief Sets the temperature index in cache given a temperature //! //! @param sqrtkT Temperature of the material. void set_temperature_index(double sqrtkT); //! \brief Sets the angle index in cache given a direction //! //! @param u Incoming particle direction. void set_angle_index(Direction u); }; } // namespace openmc #endif // OPENMC_MGXS_H