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* Rugnux: Rotation processing recovers most of the speed lost since 1.0.0-rc.180; live processing in jfjoch_broker finishes sooner. * Rugnux: More reliable rotation processing and indexing, including small molecules and supercells. * Rugnux: More robust serial data and model refinement; molecular replacement handles multi-chain models. * jfjoch_broker (experimental): Live serial processing keeps the detector geometry fixed for the whole run. * jfjoch_broker: Pixel sum without an FPGA, a mask bit for inactive pixels, and several stability fixes. * jfjoch_broker: Rotation indexing and quick integration moved to rugnux live mode; their API settings are deprecated and ignored. * jfjoch_broker, Rugnux: Azimuthal integration can use logarithmic (log10) Q bins or a given number of bins, set from the API, the web interface and the Rugnux command line. * jfjoch_viewer: Build and display fixes; the README is rewritten. Reviewed-on: #95 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
151 lines
7.4 KiB
C++
151 lines
7.4 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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#include <array>
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#include <condition_variable>
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#include <exception>
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#include <functional>
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#include <future>
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#include <latch>
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#include <map>
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#include <memory>
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#include <mutex>
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#include <vector>
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#include "StillsPrePass.h"
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#include "RugnuxLiveStatus.h"
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#include "../common/DiffractionExperiment.h"
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#include "../common/JFJochException.h"
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#include "../common/AzimuthalIntegrationMapping.h"
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#include "../common/AzimuthalIntegrationProfile.h"
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#include "../common/Logger.h"
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#include "../common/ThreadSafeFIFO.h"
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#include "../image_analysis/IndexAndRefine.h"
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#include "../rugnux/StillsLiveMerge.h"
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// Serial frames analysed on the GPU as the DECTRIS ones are (MXAnalysisWithoutFPGA), after a pre-pass on
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// the first PREPASS_IMAGES (RunStillsPrePass) has decided the beam centre and the mask they are analysed
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// with. Every frame given before the pre-pass is done is held; `ready` is called once it is, with the
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// geometry and mask the frames are then analysed at, before any of them is analysed; `sink` gets each
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// frame once analysed, from one of the analysis threads. Where `status` is given, the run is reported there
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// (pre-pass, its decisions, the analysis).
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// At most `max_held` frames wait for analysis: Hold refuses one more, so the slots held stay bounded.
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// Where the setup after the pre-pass fails (`ready` included), `failed` is called at once, the frames are
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// dropped unanalysed and Finish throws the error. An analysis thread that fails passes its frames on
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// unanalysed, and the run is reported as failed.
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// The indexed frames are merged as `rugnux --mode scale` merges them (StillsLiveMerge), beside the analysis:
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// a provisional merge at each of CHECKPOINTS of the images, on MERGE_THREADS threads, reported as a step
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// of the status, and the merge of the whole collection once the last frame is analysed, on every thread,
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// before Finish returns (GetMerged). The cell is the run's consensus at the first merge, as rugnux merges in
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// it (the collection's cell picks the frames merged); the space group the collection's, else P1.
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// merge = false leaves it out.
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// With a cell given, the pre-pass runs again on all the frames held each time they have doubled, until the geometry
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// fit has its frames, the collection ends or the sample reaches PREPASS_MAX_IMAGES or half of `max_held`; the
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// analysis starts after that and catches up from the frames held. The bound keeps the last run short and leaves
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// room in the queue for the frames arriving meanwhile, which are otherwise not written. The geometry is fixed when the pre-pass ends: every frame is analysed and merged at it. Where the pre-pass could
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// not refine it (too few of the frames it had indexed: a small image buffer, a serial hit rate, a chip whose first
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// frames are empty; or no cell given), the header's distance stays for the whole run, with a warning in the log
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// and the status.
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class StillsGPUAnalysis {
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public:
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// Enough frames for the distance to be refined at a serial hit rate: of 100 frames of a collection indexed
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// at 18%, 7 indexed at a distance 2.6% off and the geometry refinement did not run; of 500, 34 did and
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// refined it to 0.4%. They wait in the image buffer, which has to hold them in half its slots.
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constexpr static int64_t PREPASS_IMAGES = 500;
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constexpr static int64_t PREPASS_MAX_IMAGES = 4 * PREPASS_IMAGES;
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constexpr static std::array<double, 2> CHECKPOINTS = {0.5, 0.75};
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constexpr static int MERGE_THREADS = 8;
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struct Setup {
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DiffractionExperiment experiment;
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PixelMask mask;
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std::unique_ptr<AzimuthalIntegrationMapping> mapping;
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};
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using Ready = std::function<void(const Setup &)>;
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using Sink = std::function<void(DataMessage &, const AzimuthalIntegrationProfile &)>;
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using Settings = std::function<SpotFindingSettings()>;
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using Failed = std::function<void(const JFJochException &)>;
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// `start`: the collection's start message, as it would be sent without the pre-pass.
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StillsGPUAnalysis(const DiffractionExperiment &experiment, const PixelMask &mask, const StartMessage &start,
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IndexerThreadPool *indexing_thread_pool, int64_t nthreads, int64_t max_held, Logger &logger,
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Ready ready, Sink sink, Settings settings, Failed failed = {},
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RugnuxLiveStatus *status = nullptr, bool merge = true);
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~StillsGPUAnalysis();
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// False where `max_held` frames already wait: the frame is not taken.
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bool Hold(const std::shared_ptr<HeldImage> &image);
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// No frame comes after this: the pre-pass runs on what came, if it has not, and every frame is
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// analysed before it returns. Throws where the setup after the pre-pass failed.
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void Finish();
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// After Finish, once the end message is out and the writer is done: the status gets the latency from the last
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// image and then the run's outcome. Without it the outcome is reported when the analysis goes, with no latency.
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void Written();
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// After Finish.
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[[nodiscard]] std::optional<UnitCell> GetConsensusUnitCell() const;
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[[nodiscard]] float GetBeamX_pxl() const;
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[[nodiscard]] float GetBeamY_pxl() const;
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[[nodiscard]] float GetDetectorDistance_mm() const;
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// The merge of the collection, where one was made.
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[[nodiscard]] const std::optional<StillsMergeOutput> &GetMerged() const;
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[[nodiscard]] const DiffractionExperiment &GetMergeExperiment() const;
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private:
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const DiffractionExperiment &experiment;
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const PixelMask &mask;
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const StartMessage start;
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IndexerThreadPool *indexing_thread_pool;
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Logger &logger;
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Ready ready;
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Sink sink;
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Settings settings;
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Failed setup_failed;
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RugnuxLiveStatus *status;
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const bool merge_frames;
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std::mutex live_mutex;
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RugnuxLiveStills live;
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std::chrono::steady_clock::time_point ready_time;
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void Publish();
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// Kept by Finish for Written
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std::optional<std::chrono::steady_clock::time_point> last_image;
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std::optional<std::pair<RugnuxLiveState, std::string>> outcome;
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Setup setup;
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std::unique_ptr<IndexAndRefine> indexer;
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std::mutex prepass_mutex;
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std::condition_variable prepass_cv;
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bool prepass_last = false; // what is held is all there will be
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bool prepass_over = false;
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std::map<int64_t, std::shared_ptr<HeldImage>> prepass_images;
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std::latch prepass_done{1};
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std::exception_ptr setup_error; // set before prepass_done
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std::mutex error_mutex;
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std::string analysis_error; // the first, where an analysis thread failed
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void AnalysisError(const std::string &text);
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const int64_t max_held;
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ThreadSafeFIFO<std::shared_ptr<HeldImage>> queue;
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std::future<void> prepass_future;
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std::vector<std::future<void>> analysis_futures;
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bool finished = false;
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// The frames analysed, by number, for the merge (-1 after the last); it takes their outcomes from the indexer.
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ThreadSafeFIFO<int64_t> merge_queue;
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std::unique_ptr<StillsLiveMerge> merge; // after the indexer: its reflections are in the indexer's arena
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DiffractionExperiment merge_experiment;
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std::optional<StillsMergeOutput> merged;
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std::future<void> merge_future;
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void StartPrePass();
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void PrePassThread();
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void AnalysisThread();
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void MergeThread();
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void PublishMerge(const StillsMergeOutput &out, const std::string &title);
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};
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