// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute // SPDX-License-Identifier: GPL-3.0-only #include "BraggIntegrationEngine.h" #include #include #include #include #include "../../common/JFJochMath.h" // PI (M_PI is not standard, and MSVC does not define it) namespace { // Radial parallax broadening as the coefficient of tan^2(2theta), i.e. Var(z)/pixel^2 [px^2]. // Copied verbatim from ProfileIntegrate2D: a photon converts at a random depth z (exponential, // attenuation length L, truncated at the sensor thickness), shifting the recorded spot radially by // z*tan(2theta). L is photoelectric-dominated (~lambda^3), so a per-material reference (13 keV) is // scaled by lambda^3; Si and CdTe are the sensors in use. double parallax_var_px2(const std::string &material, double thickness_um, double lambda_A, double pixel_um) { if (!(thickness_um > 0.0) || !(pixel_um > 0.0) || !(lambda_A > 0.0)) return 0.0; const double L_ref = material == "CdTe" ? 42.6 : 273.0; // attenuation length [um] at 0.953 A const double s = lambda_A / 0.953; const double L = L_ref / (s * s * s); const double a = thickness_um / L, e = std::exp(-a); if (1.0 - e <= 0.0) return 0.0; const double mean = L * (1.0 - (1.0 + a) * e) / (1.0 - e); const double ez2 = L * L * (2.0 - (a * a + 2.0 * a + 2.0) * e) / (1.0 - e); const double var = std::max(0.0, ez2 - mean * mean); // um^2 return var / (pixel_um * pixel_um); } } // namespace BraggIntegrationEngine::BraggIntegrationEngine(const DiffractionExperiment &experiment) : geom(experiment.GetDiffractionGeometry()) { const auto settings = experiment.GetBraggIntegrationSettings(); const auto &det = experiment.GetDetectorSetup(); mode = settings.GetIntegrator(); empirical = mode == IntegratorMode::ProfileEmpirical; // Same frame as the reflections' predicted_x/predicted_y and the ImagePreprocessorBuffer that // feeds this engine (MXAnalysisWithoutFPGA sizes that buffer to GetPixelsNum()). xpixel = experiment.GetXPixelsNum(); ypixel = experiment.GetYPixelsNum(); npixel = experiment.GetPixelsNum(); r1_sq = settings.GetR1() * settings.GetR1(); r2 = settings.GetR2(); r2_sq = r2 * r2; r3 = settings.GetR3(); r3_sq = r3 * r3; min_sigma_ratio = settings.GetMinimumSigmaInRegardsToI(); R = static_cast(std::ceil(r2)); G = 2 * R + 1; GG = G * G; // A set bandwidth (broadband / stills) vs monochromatic (rotation) splits the treatment: the // background sigma-clip and radial-elongation terms are path-dependent (see ProfileIntegrate2D). bw_sigma = experiment.GetBandwidthFWHM().value_or(0.0f) / 2.3548f; broadband = bw_sigma > 0.0; const double c_par = parallax_var_px2(det.GetSensorMaterial(), det.GetSensorThickness_um(), geom.GetWavelength_A(), geom.GetPixelSize_mm() * 1000.0); c_radial = c_par + (broadband ? 0.0 : bragg_engine::C_CAPTURE); F_px = geom.GetDetectorDistance_mm() / std::max(1e-6f, geom.GetPixelSize_mm()); beam_x = geom.GetBeamX_pxl(); beam_y = geom.GetBeamY_pxl(); use_ellipse = !empirical && (bw_sigma > 0.0 || c_radial > 0.0); // Robust background ring, one estimator or the other (see BraggIntegrationSettings). Broadband // (non-zero bandwidth: pink-beam / DMM) data keep their tuned 3 sigma high-side clip whatever the // settings say; monochromatic data - rotation AND stills, the discriminator is the beam, not the // acquisition mode - take the clip multiplier from settings, and fall back to the symmetric trim // only when the clip is switched off (rugnux --background-trim). bkg_clip_nsigma = broadband ? 3.0f : settings.GetBackgroundClipNSigma(); bkg_trim = (broadband || bkg_clip_nsigma > 0.0f) ? 0.0f : settings.GetBackgroundTrimFraction(); // Radial-offset kernels for the background curvature correction. A stencil pixel at (dx, dy) // sits at radial offset dx*cos(phi) + dy*sin(phi) from the reflection, where phi is the // reflection's azimuth; averaging over phi makes the kernels position-independent, which is // exact to the extent the stencil is small against the reflection's radius (r3 = 10 px vs // hundreds). k_diff is the annulus histogram minus the disk histogram, each normalised, so // dot(k_diff, B) is directly mean_annulus(B) - mean_disk(B). // Unset = auto: start off, and let the analysis raise it per image where the ice score says the // background really is radial. An engine nobody drives therefore never applies the correction. const auto radial = settings.GetBackgroundRadialCorrection(); bkg_radial_auto = !radial.has_value(); bkg_radial = radial.value_or(false); k_off = static_cast(std::ceil(r3)) + 1; k_diff.assign(2 * k_off + 1, 0.0f); { std::vector hist_disk(k_diff.size(), 0.0), hist_ann(k_diff.size(), 0.0); constexpr int n_phi = 512; const int span = static_cast(std::ceil(r3)) + 1; for (int p = 0; p < n_phi; ++p) { const double phi = 2.0 * PI * p / n_phi, cp = std::cos(phi), sp = std::sin(phi); for (int dy = -span; dy <= span; ++dy) for (int dx = -span; dx <= span; ++dx) { const double d2 = static_cast(dx) * dx + static_cast(dy) * dy; const int k = k_off + static_cast(std::lround(dx * cp + dy * sp)); if (k < 0 || k >= static_cast(k_diff.size())) continue; if (d2 < r1_sq) hist_disk[k] += 1.0; else if (d2 >= r2_sq && d2 < r3_sq) hist_ann[k] += 1.0; } } const double sd = std::accumulate(hist_disk.begin(), hist_disk.end(), 0.0); const double sa = std::accumulate(hist_ann.begin(), hist_ann.end(), 0.0); for (size_t k = 0; k < k_diff.size(); ++k) k_diff[k] = static_cast(hist_ann[k] / sa - hist_disk[k] / sd); } polarization = experiment.GetPolarizationFactor(); } std::vector BraggIntegrationEngine::Finalize(const std::vector &predicted, size_t npredicted, const std::vector &results, int64_t image_number) const { std::vector out; out.reserve(npredicted); for (size_t i = 0; i < npredicted; ++i) { const auto &fr = results[i]; if (!fr.ok) continue; Reflection refl = predicted[i]; refl.I = fr.I; refl.sigma = fr.sigma; refl.bkg = fr.bkg; if (fr.has_observed) { refl.observed_x = fr.observed_x; refl.observed_y = fr.observed_y; } refl.observed = true; if (polarization) refl.rlp /= geom.CalcAzIntPolarizationCorr(refl.predicted_x, refl.predicted_y, polarization.value()); refl.image_scale_corr = refl.rlp / refl.partiality; refl.image_number = static_cast(image_number); out.push_back(refl); } return out; }