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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output. * jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling. * Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool. * jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection. * jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata. * CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
106 lines
5.3 KiB
C++
106 lines
5.3 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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// =============================================================================
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// BraggIntegrationEngine — box-sum + profile-fitting 2D integrator, GPU-ready
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// =============================================================================
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//
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// A reimplementation of BraggIntegrate2D (box sum) and ProfileIntegrate2D (Kabsch profile
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// fit) under one roof, following the AzIntEngine / ROIIntegration pattern: a base class that
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// extracts the fixed per-experiment configuration, a plain-C++ CPU engine (the fallback and the
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// numeric oracle), and a CUDA engine (BraggIntegrationEngineGPU) that reaches the same result up
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// to floating-point precision.
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//
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// Unlike BraggIntegrate2D/ProfileIntegrate2D, which read the raw CompressedImage per pixel type
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// and reject the special/saturation +/-1 band, this engine reads the already-preprocessed int32
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// image held in an ImagePreprocessorBuffer (the same buffer AzIntEngineGPU/ROIIntegrationGPU
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// consume): masked/bad pixels are INT32_MIN and saturated pixels INT32_MAX, so bad-pixel identity
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// is owned by the preprocessor and a pixel is valid iff v != INT32_MIN && v != INT32_MAX.
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//
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// The integrator is selected by BraggIntegrationSettings::Integrator:
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// BoxSum -> BraggIntegrate2D equivalent (rough disk sum minus ring-mean background)
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// ProfileGaussian -> per-reflection measured-width Gaussian profile fit (the default)
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// ProfileEmpirical-> per-shell learned empirical profile fit
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// The box sum is also the seed pass (Pass A) of the two profile modes, so it always runs.
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//
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// This class is intentionally standalone: it is NOT yet wired into IndexAndRefine. It takes a
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// preprocessed image + the predicted reflections and returns the same vector<Reflection> shape
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// (I, sigma, bkg, partiality, ...) that the downstream scaling/merge consumes unchanged.
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// =============================================================================
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#include <cmath>
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#include <cstddef>
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#include <cstdint>
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#include <optional>
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#include <vector>
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#include "../../common/BraggIntegrationSettings.h"
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#include "../../common/DiffractionExperiment.h"
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#include "../../common/DiffractionGeometry.h"
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#include "../../common/Reflection.h"
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#include "../image_preprocessing/ImagePreprocessorBuffer.h"
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namespace bragg_engine {
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// Shared with both engines so the CPU and GPU paths stay numerically aligned.
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constexpr int N_SHELL = 6; // resolution shells for per-shell profile learning
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constexpr double STRONG_I_OVER_SIGMA = 5.0; // strong-spot threshold that seeds the profile
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constexpr int MIN_STRONG_PER_SHELL = 30; // below this a shell falls back to the global profile
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constexpr double C_CAPTURE = 2.5; // weak-spot radial capture term (monochromatic only)
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} // namespace bragg_engine
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// One reflection's extracted intensity, produced by the derived engine and turned into a
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// Reflection by Finalize() (which owns the polarization correction and scale bookkeeping).
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struct BraggFitResult {
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float I = 0.0f;
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float sigma = NAN;
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float bkg = 0.0f;
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float observed_x = 0.0f; // intensity-weighted centroid (BoxSum mode only)
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float observed_y = 0.0f;
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bool ok = false;
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bool has_observed = false;
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};
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class BraggIntegrationEngine {
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protected:
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// --- fixed configuration extracted from the experiment (see ProfileIntegrate2D) ---
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IntegratorMode mode;
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bool empirical; // ProfileEmpirical (vs ProfileGaussian)
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size_t xpixel, ypixel, npixel;
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float r1_sq;
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float r2, r2_sq;
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float r3, r3_sq;
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float min_sigma_ratio;
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int R, G, GG; // profile-grid half-size, edge (2R+1) and area (G*G)
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bool broadband; // a set bandwidth (stills) vs monochromatic (rotation)
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double bw_sigma; // bandwidth sigma [dimensionless, * Rpx -> px]
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bool apply_bkg_clip; // stills-only high-outlier background sigma-clip
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bool use_ellipse; // radially elongate the per-reflection Gaussian
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double c_radial; // radial variance coefficient of tan^2(2theta): parallax + capture
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double F_px; // detector distance expressed in pixels
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float beam_x, beam_y;
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DiffractionGeometry geom; // kept for the per-reflection polarization correction
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std::optional<float> polarization;
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// Assemble output reflections from the per-reflection fit results (polarization + scale corr).
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std::vector<Reflection> Finalize(const std::vector<Reflection> &predicted, size_t npredicted,
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const std::vector<BraggFitResult> &results,
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int64_t image_number) const;
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public:
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explicit BraggIntegrationEngine(const DiffractionExperiment &experiment);
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virtual ~BraggIntegrationEngine() = default;
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// predicted[0..npredicted) are the reflections to extract; image is the preprocessed int32
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// frame (image.size() == npixel). Returns only the observed reflections.
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virtual std::vector<Reflection> Run(const ImagePreprocessorBuffer &image,
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const std::vector<Reflection> &predicted, size_t npredicted,
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int64_t image_number) = 0;
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};
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