#include "openmc/secondary_kalbach.h" #include // for copy, move #include // for log, sqrt, sinh #include // for size_t #include // for back_inserter #include "xtensor/xarray.hpp" #include "xtensor/xview.hpp" #include "openmc/hdf5_interface.h" #include "openmc/random_dist.h" #include "openmc/random_lcg.h" #include "openmc/search.h" #include "openmc/vector.h" namespace openmc { //============================================================================== //! KalbachMann implementation //============================================================================== KalbachMann::KalbachMann(hid_t group) { // Open incoming energy dataset hid_t dset = open_dataset(group, "energy"); // Get interpolation parameters xt::xarray temp; read_attribute(dset, "interpolation", temp); auto temp_b = xt::view(temp, 0); // view of breakpoints auto temp_i = xt::view(temp, 1); // view of interpolation parameters std::copy(temp_b.begin(), temp_b.end(), std::back_inserter(breakpoints_)); for (const auto i : temp_i) interpolation_.push_back(int2interp(i)); n_region_ = breakpoints_.size(); // Get incoming energies read_dataset(dset, energy_); std::size_t n_energy = energy_.size(); close_dataset(dset); // Get outgoing energy distribution data dset = open_dataset(group, "distribution"); vector offsets; vector interp; vector n_discrete; read_attribute(dset, "offsets", offsets); read_attribute(dset, "interpolation", interp); read_attribute(dset, "n_discrete_lines", n_discrete); xt::xarray eout; read_dataset(dset, eout); close_dataset(dset); for (int i = 0; i < n_energy; ++i) { // Determine number of outgoing energies int j = offsets[i]; int n; if (i < n_energy - 1) { n = offsets[i + 1] - j; } else { n = eout.shape()[1] - j; } // Assign interpolation scheme and number of discrete lines KMTable d; d.interpolation = int2interp(interp[i]); d.n_discrete = n_discrete[i]; // Copy data d.e_out = xt::view(eout, 0, xt::range(j, j + n)); d.p = xt::view(eout, 1, xt::range(j, j + n)); d.c = xt::view(eout, 2, xt::range(j, j + n)); d.r = xt::view(eout, 3, xt::range(j, j + n)); d.a = xt::view(eout, 4, xt::range(j, j + n)); // To get answers that match ACE data, for now we still use the tabulated // CDF values that were passed through to the HDF5 library. At a later // time, we can remove the CDF values from the HDF5 library and // reconstruct them using the PDF if (false) { // Calculate cumulative distribution function -- discrete portion for (int k = 0; k < d.n_discrete; ++k) { if (k == 0) { d.c[k] = d.p[k]; } else { d.c[k] = d.c[k - 1] + d.p[k]; } } // Continuous portion for (int k = d.n_discrete; k < n; ++k) { if (k == d.n_discrete) { d.c[k] = d.c[k - 1] + d.p[k]; } else { if (d.interpolation == Interpolation::histogram) { d.c[k] = d.c[k - 1] + d.p[k - 1] * (d.e_out[k] - d.e_out[k - 1]); } else if (d.interpolation == Interpolation::lin_lin) { d.c[k] = d.c[k - 1] + 0.5 * (d.p[k - 1] + d.p[k]) * (d.e_out[k] - d.e_out[k - 1]); } } } // Normalize density and distribution functions d.p /= d.c[n - 1]; d.c /= d.c[n - 1]; } distribution_.push_back(std::move(d)); } // incoming energies } void KalbachMann::sample( double E_in, double& E_out, double& mu, uint64_t* seed) const { // Find energy bin and calculate interpolation factor -- if the energy is // outside the range of the tabulated energies, choose the first or last bins auto n_energy_in = energy_.size(); int i; double r; if (E_in < energy_[0]) { i = 0; r = 0.0; } else if (E_in > energy_[n_energy_in - 1]) { i = n_energy_in - 2; r = 1.0; } else { i = lower_bound_index(energy_.begin(), energy_.end(), E_in); r = (E_in - energy_[i]) / (energy_[i + 1] - energy_[i]); } // Sample between the ith and [i+1]th bin int l = r > prn(seed) ? i + 1 : i; // Interpolation for energy E1 and EK int n_energy_out = distribution_[i].e_out.size(); int n_discrete = distribution_[i].n_discrete; double E_i_1 = distribution_[i].e_out[n_discrete]; double E_i_K = distribution_[i].e_out[n_energy_out - 1]; n_energy_out = distribution_[i + 1].e_out.size(); n_discrete = distribution_[i + 1].n_discrete; double E_i1_1 = distribution_[i + 1].e_out[n_discrete]; double E_i1_K = distribution_[i + 1].e_out[n_energy_out - 1]; double E_1 = E_i_1 + r * (E_i1_1 - E_i_1); double E_K = E_i_K + r * (E_i1_K - E_i_K); // Determine outgoing energy bin n_energy_out = distribution_[l].e_out.size(); n_discrete = distribution_[l].n_discrete; double r1 = prn(seed); double c_k = distribution_[l].c[0]; int k = 0; int end = n_energy_out - 2; // Discrete portion for (int j = 0; j < n_discrete; ++j) { k = j; c_k = distribution_[l].c[k]; if (r1 < c_k) { end = j; break; } } // Continuous portion double c_k1; for (int j = n_discrete; j < end; ++j) { k = j; c_k1 = distribution_[l].c[k + 1]; if (r1 < c_k1) break; k = j + 1; c_k = c_k1; } double E_l_k = distribution_[l].e_out[k]; double p_l_k = distribution_[l].p[k]; double km_r, km_a; if (distribution_[l].interpolation == Interpolation::histogram) { // Histogram interpolation if (p_l_k > 0.0 && k >= n_discrete) { E_out = E_l_k + (r1 - c_k) / p_l_k; } else { E_out = E_l_k; } // Determine Kalbach-Mann parameters km_r = distribution_[l].r[k]; km_a = distribution_[l].a[k]; } else { // Linear-linear interpolation double E_l_k1 = distribution_[l].e_out[k + 1]; double p_l_k1 = distribution_[l].p[k + 1]; double frac = (p_l_k1 - p_l_k) / (E_l_k1 - E_l_k); if (frac == 0.0) { E_out = E_l_k + (r1 - c_k) / p_l_k; } else { E_out = E_l_k + (std::sqrt(std::max(0.0, p_l_k * p_l_k + 2.0 * frac * (r1 - c_k))) - p_l_k) / frac; } // Determine Kalbach-Mann parameters km_r = distribution_[l].r[k] + (E_out - E_l_k) / (E_l_k1 - E_l_k) * (distribution_[l].r[k + 1] - distribution_[l].r[k]); km_a = distribution_[l].a[k] + (E_out - E_l_k) / (E_l_k1 - E_l_k) * (distribution_[l].a[k + 1] - distribution_[l].a[k]); } // Now interpolate between incident energy bins i and i + 1 if (k >= n_discrete) { if (l == i) { E_out = E_1 + (E_out - E_i_1) * (E_K - E_1) / (E_i_K - E_i_1); } else { E_out = E_1 + (E_out - E_i1_1) * (E_K - E_1) / (E_i1_K - E_i1_1); } } // Sampled correlated angle from Kalbach-Mann parameters if (prn(seed) > km_r) { double T = uniform_distribution(-1., 1., seed) * std::sinh(km_a); mu = std::log(T + std::sqrt(T * T + 1.0)) / km_a; } else { double r1 = prn(seed); mu = std::log(r1 * std::exp(km_a) + (1.0 - r1) * std::exp(-km_a)) / km_a; } } } // namespace openmc