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* Rugnux: Processes serial crystallography data from XFELs - SACLA (MPCCD), PAL-XFEL and European XFEL (CXI), LCLS (XTC) and SwissFEL Alvra (JUNGFRAU with a CrystFEL module geometry) - with several files or Jungfraujoch master files merged in one run (`rugnux *_master.h5`). * Rugnux: Stills processing takes a known unit cell and space group as a starting point, finds the beam centre (and, with a cell, the detector distance) from the images, detects the saturation level in other facilities' files and refines the placement of individual detector panels. * Rugnux: The stills report gives R_split and CC1/2 from frame half-sets, comparable with CrystFEL. * jfjoch_viewer: Opens the same XFEL file formats. * Validation: A stills battery checks Rugnux against deposited structures from SACLA, PAL-XFEL, LCLS, European XFEL and SwissFEL. * Rugnux: More reliable convergence of rotation scaling, and live molecular replacement starts as soon as the model is uploaded. * jfjoch_broker: Initialize clears the previous dataset's bearer tokens, image buffer and live Rugnux status, and a slow CUDA JIT cache is reported at start. Reviewed-on: #88 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
134 lines
7.4 KiB
C++
134 lines
7.4 KiB
C++
// SPDX-FileCopyrightText: 2024 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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#include <mutex>
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#include "../common/JFJochMessages.h"
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#include "../common/DiffractionExperiment.h"
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#include "../common/AzimuthalIntegrationMapping.h"
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#include "../common/PixelMask.h"
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#include "../common/AzimuthalIntegrationProfile.h"
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#include "bragg_prediction/BraggPrediction.h"
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#include "bragg_integration/BraggIntegrationEngine.h"
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#include "bragg_integration/BraggIntegrationEngineCPU.h"
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#include "spot_finding/ImageSpotFinder.h"
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#include "spot_finding/AdaptiveSpotFinderCPU.h"
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#include "indexing/IndexerThreadPool.h"
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#include "azint/AzIntEngine.h"
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#include "roi/ROIIntegration.h"
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#include "IndexAndRefine.h"
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#include "image_preprocessing/ImagePreprocessor.h"
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#include "image_preprocessing/ImagePreprocessorBuffer.h"
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#include "image_preprocessing/ImagePreprocessorCPU.h"
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class CudaStream;
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class AdaptiveSpotFinderGPU;
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// MXAnalysisWithoutFPGA is not thread safe - it has to owned by a single thread
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class MXAnalysisWithoutFPGA {
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const DiffractionExperiment &experiment;
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const AzimuthalIntegrationMapping &integration;
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std::vector<uint8_t> decompression_buffer;
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std::unique_ptr<ImagePreprocessor> preprocessor;
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// The preprocessor, where it is the CPU one.
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ImagePreprocessorCPU *preprocessor_cpu = nullptr;
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size_t npixels;
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size_t xpixels;
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// Built on first use: the fused adaptive finder produces the azimuthal profile as a by-product,
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// so on the rugnux path this engine is constructed and then never run.
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std::unique_ptr<AzIntEngine> azint;
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AzIntEngine &AzInt();
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std::unique_ptr<ROIIntegration> roi;
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// Built on first use. Which finder an image takes arrives with its SpotFindingSettings, and
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// with adaptive detection on - the default everywhere but the broker - this one is never asked
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// for; on the GPU it is ~14 MB and 15 device allocations per worker.
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std::unique_ptr<ImageSpotFinder> spotFinder;
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ImageSpotFinder &FixedThresholdFinder();
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// Self-calibrating finder, used when spot settings request adaptive detection. Kept alongside the
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// default finder because the choice arrives with the per-image settings, not at construction. It is
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// an AdaptiveSpotFinderCPU by default; on the GPU path, when the fused engine is enabled (rugnux
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// offline only), it is instead an AdaptiveSpotFinderGPU that also computes the azimuthal profile,
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// aliased through fused_adaptive so Analyze() can take that profile and skip the separate azint pass.
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std::unique_ptr<ImageSpotFinder> adaptiveSpotFinder;
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AdaptiveSpotFinderGPU *fused_adaptive = nullptr;
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// The CPU finder, where it gives the profile too (the azimuthal integration being on the CPU).
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AdaptiveSpotFinderCPU *fused_adaptive_cpu = nullptr;
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const bool enable_fused_adaptive_gpu;
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IndexAndRefine &indexer;
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std::unique_ptr<BraggPrediction> prediction;
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std::unique_ptr<BraggIntegrationEngine> bragg_engine;
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// The engine run on reflections predicted on the detector plane: each read where its module put it on
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// the image (DetectorModules), handed back on the plane.
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std::vector<Reflection> IntegrateOnImage(const std::vector<Reflection> &predicted, size_t npredicted,
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int64_t image_number);
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// What the supercell probe's integrations added to bragg_engine's counts (see BraggCounts).
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BraggIntegrationCounts probe_counts;
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// Counts the neighbour crowding of the integrated reflections at another stencil (CountCrowdingAt),
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// on the images for which count_crowding is on.
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std::unique_ptr<BraggIntegrationEngineCPU> crowding_engine;
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bool count_crowding = false;
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std::unique_ptr<ImagePreprocessorBuffer> preprocessor_buffer;
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const PixelMask &mask;
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// Decompress the image into decompression_buffer (or read it straight from the message, when it is
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// not compressed) and return where it landed.
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const uint8_t *Decompress(const CompressedImage &image);
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// The CPU preprocessing. A bitshuffled image is decoded a block (~32 KB) at a time and each block
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// is preprocessed while it is in cache, then - with ring_pass - put through the adaptive finder's
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// plain ring pass as well, so the image is never written out whole before it is preprocessed and
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// the preprocessed pixels are read back from cache, not from memory. The blocks come in pixel
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// order, so every sum is taken in the same order as by separate passes.
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ImageStatistics PreprocessCPU(const CompressedImage &image, bool ring_pass);
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// Pixels outside the resolution limits, bit-packed. Built by the integration mapping, which is
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// shared by every worker's engine and hands out the same mask to all of them.
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std::shared_ptr<const std::vector<uint32_t>> mask_resolution;
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// The limits mask_resolution was built for. Kept as the OPTIONAL the caller passed, so an unset
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// high-resolution limit compares equal to itself and the mask is not rebuilt on every image.
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std::optional<float> mask_high_res;
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std::optional<float> mask_low_res;
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void UpdateMaskResolution(const SpotFindingSettings& settings);
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#ifdef JFJOCH_USE_CUDA
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std::shared_ptr<CudaStream> stream; // kept so RebuildROI() can recreate the GPU ROI engine
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#endif
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public:
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// enable_fused_adaptive_gpu turns on the fused GPU azint+adaptive spot finder (only takes effect on
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// the GPU path with adaptive detection). The rugnux offline path and the interactive viewer enable
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// it by default, as does the online receiver. It only changes performance - the fused engine
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// reproduces the CPU finder's spots. Note it also decides whether the preprocessed image is copied
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// back to the host each frame: that copy exists only for a CPU engine to read, and with the flag on
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// no CPU engine is built, so the copy is skipped.
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MXAnalysisWithoutFPGA(const DiffractionExperiment &experiment, const AzimuthalIntegrationMapping &integration,
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const PixelMask &mask, IndexAndRefine &indexer, bool enable_fused_adaptive_gpu = false);
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void Analyze(DataMessage &output, AzimuthalIntegrationProfile &profile, const SpotFindingSettings &spot_finding_settings);
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// Surgical ROI-only paths used when a full re-analysis is not wanted: rebuild the
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// ROI engine after the ROI set changes, recompute ROIs after preprocessing a new
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// image (reanalyze off), or just rerun ROIs on the current preprocessed image (an
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// interactive ROI move). A full Analyze() already computes ROIs, so needs nothing.
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void RebuildROI();
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void AnalyzeROIOnly(DataMessage &output);
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void RunROIOnly(DataMessage &output);
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// What this worker's Bragg integrator counted (BraggIntegrationCounts). Each worker builds its own
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// analysis, so a caller that wants the run's totals sums this over the workers it started.
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[[nodiscard]] BraggIntegrationCounts BraggCounts() const;
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// Also count, on the images Analyze is given while CountCrowding(true), how crowded the background
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// rings of the integrated reflections would be at `settings` rather than the experiment's own
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// (BraggIntegrationEngineCPU::CountNeighbourCrowding), read back with CrowdingCounts.
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void CountCrowdingAt(const BraggIntegrationSettings &settings);
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void CountCrowding(bool on) { count_crowding = on; }
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[[nodiscard]] BraggIntegrationCounts CrowdingCounts() const;
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};
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