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121 lines
4.1 KiB
C++
121 lines
4.1 KiB
C++
#ifndef OPENMC_WMP_H
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#define OPENMC_WMP_H
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#include "hdf5.h"
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#include "openmc/tensor.h"
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#include <complex>
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#include <string>
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#include <tuple>
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#include "openmc/array.h"
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#include "openmc/vector.h"
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namespace openmc {
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//========================================================================
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// Constants
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//========================================================================
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// Constants that determine which value to access
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constexpr int MP_EA {0}; // Pole
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constexpr int MP_RS {1}; // Residue scattering
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constexpr int MP_RA {2}; // Residue absorption
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constexpr int MP_RF {3}; // Residue fission
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// Polynomial fit indices
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constexpr int FIT_S {0}; // Scattering
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constexpr int FIT_A {1}; // Absorption
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constexpr int FIT_F {2}; // Fission
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// Multipole HDF5 file version
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constexpr array<int, 2> WMP_VERSION {1, 1};
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//========================================================================
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// Windowed multipole data
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//========================================================================
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class WindowedMultipole {
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public:
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// Types
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struct WindowInfo {
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int index_start; // Index of starting pole
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int index_end; // Index of ending pole
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bool broaden_poly; // Whether to broaden polynomial curvefit
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};
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// Constructors, destructors
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WindowedMultipole(hid_t group);
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// Methods
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//! \brief Evaluate the windowed multipole equations for cross sections in the
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//! resolved resonance regions
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//!
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//! \param E Incident neutron energy in [eV]
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//! \param sqrtkT Square root of temperature times Boltzmann constant
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//! \return Tuple of elastic scattering, absorption, and fission cross
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//! sections in [b]
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std::tuple<double, double, double> evaluate(double E, double sqrtkT) const;
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//! \brief Evaluates the windowed multipole equations for the derivative of
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//! cross sections in the resolved resonance regions with respect to
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//! temperature.
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//!
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//! \param E Incident neutron energy in [eV]
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//! \param sqrtkT Square root of temperature times Boltzmann constant
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//! \return Tuple of derivatives of elastic scattering, absorption, and
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//! fission cross sections in [b/K]
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std::tuple<double, double, double> evaluate_deriv(
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double E, double sqrtkT) const;
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// Data members
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std::string name_; //!< Name of nuclide
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double E_min_; //!< Minimum energy in [eV]
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double E_max_; //!< Maximum energy in [eV]
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double sqrt_awr_; //!< Square root of atomic weight ratio
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double inv_spacing_; //!< 1 / spacing in sqrt(E) space
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int fit_order_; //!< Order of the fit
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bool fissionable_; //!< Is the nuclide fissionable?
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vector<WindowInfo> window_info_; // Information about a window
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tensor::Tensor<double>
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curvefit_; // Curve fit coefficients (window, poly order, reaction)
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tensor::Tensor<std::complex<double>> data_; //!< Poles and residues
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// Constant data
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static constexpr int MAX_POLY_COEFFICIENTS =
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11; //!< Max order of polynomial fit plus one
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};
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//========================================================================
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// Non-member functions
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//========================================================================
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//! Check to make sure WMP library data version matches
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//!
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//! \param[in] file HDF5 file object
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void check_wmp_version(hid_t file);
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//! \brief Checks for the existence of a multipole library in the directory and
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//! loads it
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//!
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//! \param[in] i_nuclide Index in global nuclides array
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void read_multipole_data(int i_nuclide);
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//==============================================================================
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//! Doppler broadens the windowed multipole curvefit.
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//!
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//! The curvefit is a polynomial of the form a/E + b/sqrt(E) + c + d sqrt(E)...
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//!
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//! \param E The energy to evaluate the broadening at
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//! \param dopp sqrt(atomic weight ratio / kT) with kT given in eV
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//! \param n The number of components to the polynomial
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//! \param factors The output leading coefficient
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//==============================================================================
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extern "C" void broaden_wmp_polynomials(
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double E, double dopp, int n, double factors[]);
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} // namespace openmc
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#endif // OPENMC_WMP_H
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