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Jungfraujoch/image_analysis/bragg_integration/BraggIntegrationEngineGPU.h
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v1.0.0.rc-161 (#71)
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.

* **rugnux: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice.
* **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster.
* **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory.
* **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again.

**Breaking change to the rugnux command line:**
* `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one.
* `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride.

**Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional:
* `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve.
* `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing.

**Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional:
* The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more.
* `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.**

Reviewed-on: #71
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-08-13 17:03:10 +02:00

71 lines
3.8 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <cstdint>
#include <memory>
#include <vector>
#include "BraggIntegrationEngine.h"
#include "../indexing/CUDAMemHelpers.h"
// CUDA engine: reproduces BraggIntegrationEngineCPU up to floating-point precision. Each stage is a
// kernel with one CUDA block per reflection cooperating over the small window via shared-memory
// reductions (the natural mapping for thousands of independent, tiny per-spot integrations).
//
// Pipeline (profile modes): reset -> mark_mask -> boxsum -> learn_profile -> build_profiles -> fit
// (the resolution shell is computed inline, so there is no separate shell pass). BoxSum mode stops
// after boxsum (that pass is the BraggIntegrate2D box integrator and the seed of the profile fit).
// The preprocessed image already lives on the device (ImagePreprocessorBufferGPU::getGPUBuffer());
// only the per-frame predicted centres are uploaded.
class BraggIntegrationEngineGPU : public BraggIntegrationEngine {
std::shared_ptr<CudaStream> stream;
int threads;
size_t fit_shared_bytes;
int rad_w = 0; // radial-background window of boxsum, in bins of one pixel
size_t boxsum_shared_bytes = 0;
size_t capacity = 0; // per-reflection device/host arrays hold at least this many reflections
// --- per-reflection device arrays (grown by EnsureCapacity) ---
CudaDevicePtr<float> d_px_x, d_px_y, d_d;
CudaDevicePtr<int> d_cx, d_cy;
CudaDevicePtr<float> d_I, d_sigma, d_bkg, d_bkg_var, d_var_bkg, d_obs_x, d_obs_y;
CudaDevicePtr<float> d_isum; // box-sum raw sum, for the radial correction
CudaDevicePtr<int> d_ninner, d_rbin, d_kbin;
CudaDevicePtr<uint8_t> d_ok, d_strong, d_has_obs;
// --- radial background curvature correction (see BraggIntegrationEngine) ---
int n_rad = 0; // radial bins, 0 when the correction is off
CudaDevicePtr<float> d_rad_sum, d_k_diff;
CudaDevicePtr<int> d_rad_cnt;
// --- fixed-size device arrays ---
// The learning/fit math is single precision: FP64 is heavily throttled on consumer GPUs and the
// extraction is Poisson-noise limited, so float reproduces the double CPU path to ~1e-4.
CudaDevicePtr<uint8_t> d_mask; // per-pixel inner-stencil reflection mask
// Per-pixel (distance, reflection) key naming the nearest predicted centre; allocated only when
// an overlap treatment is on, so the default path costs no extra device memory.
CudaDevicePtr<uint32_t> d_owner;
CudaDevicePtr<float> d_shell_grid, d_global_grid; // learned profile accumulators (N_SHELL*GG, GG)
CudaDevicePtr<float> d_shell_P, d_global_P; // normalised profiles (empirical mode)
CudaDevicePtr<float> d_mom; // learned 2nd moments, 3 per shell + global
CudaDevicePtr<float> d_sigma2_r, d_sigma2_t; // radial/tangential widths, N_SHELL + global
CudaDevicePtr<int> d_shell_n, d_global_n;
CudaDevicePtr<unsigned long long> d_invd2; // [min,max] inv-d^2 as monotonic bit patterns
// --- host staging (copied back once per frame) ---
std::vector<float> h_px_x, h_px_y, h_d;
std::vector<float> h_I, h_sigma, h_bkg, h_var_bkg, h_obs_x, h_obs_y;
std::vector<uint8_t> h_ok, h_has_obs;
void EnsureCapacity(size_t n);
public:
BraggIntegrationEngineGPU(const DiffractionExperiment &experiment, std::shared_ptr<CudaStream> stream);
std::vector<Reflection> Run(const ImagePreprocessorBuffer &image,
const std::vector<Reflection> &predicted, size_t npredicted,
int64_t image_number) override;
};