Files
Jungfraujoch/viewer/JFJochImageReadingWorker.h
T
leonarski_fandFilip Leonarski 19b135186d
Build Packages / Create release (push) Successful in 7s
Build Packages / build:portable:macos-arm64:nocuda (push) Successful in 4m56s
Build Packages / build:rugnux:linux-aarch64:cuda (push) Successful in 9m10s
Build Packages / build:portable:linux-x86_64:nocuda (push) Successful in 13m51s
Build Packages / build:portable:linux-x86_64:cuda (push) Successful in 16m56s
Build Packages / build:jfjoch:rocky8:nocuda (push) Successful in 20m59s
Build Packages / build:portable:windows-x86_64:nocuda (push) Successful in 21m25s
Build Packages / build:jfjoch:rocky9:nocuda (push) Successful in 21m17s
Build Packages / build:jfjoch:ubuntu2204:nocuda (push) Successful in 14m14s
Build Packages / HDF5 consumer tests (DIALS, XDS) (push) Successful in 25m59s
Build Packages / build:portable:windows-x86_64:cuda (push) Successful in 25m48s
Build Packages / build:jfjoch:ubuntu2404:nocuda (push) Successful in 15m52s
Build Packages / build:jfjoch:rocky8:cuda-sls9 (push) Successful in 19m33s
Build Packages / Generate python client (push) Successful in 29s
Build Packages / Build documentation (push) Successful in 1m19s
Build Packages / build:jfjoch:ubuntu2204:cuda (push) Successful in 20m49s
Build Packages / build:jfjoch:rocky9:cuda-sls9 (push) Successful in 25m31s
Build Packages / build:jfjoch:rocky8:cuda (push) Successful in 25m24s
Build Packages / build:jfjoch:rocky9:cuda (push) Successful in 26m5s
Build Packages / build:jfjoch:ubuntu2404:cuda (push) Successful in 22m19s
Build Packages / Unit tests (push) Failing after 2h28m24s
Build Packages / Validation Battery (push) Successful in 40m33s
v1.0.0-rc.175 (#85)
* Rugnux: Processes a collection live while jfjoch_broker writes it (`rugnux <master.h5> <broker URL>`).
* Rugnux: Processing starts on the first images and confirms its choices once all are in, so analysis can begin during collection.
* Rugnux: Faster processing, especially on servers with several GPUs and CPU sockets and on computers without a GPU (`--no-gpu`, macOS).
* Rugnux: Uses much less GPU memory, so large data sets stay on the GPU of smaller cards, and a data set too large for the card is processed on the CPU instead.
* Rugnux: On macOS, Bragg integration runs on the Apple GPU.
* Rugnux: Better handling of twinning and pseudo-symmetry, with the twin hypothesis written as `<prefix>_twin_<SG>.mtz`, and a wrong `--model` no longer confirms the data or decides the hand.
* Rugnux: `--model` accepts predicted (AlphaFold) models and falls back to molecular replacement when the model is not placed as a rigid body (experimental `--mr` forces it), settling space group, hand and twinning and writing a different answer as `<prefix>_mr.mtz`.
* Rugnux: Molecular replacement is faster and settles the space group in more cases with several copies in the asymmetric unit.
* Rugnux: Deposition-ready mmCIF, a richer report, and numbered steps on the terminal with the full log in `<prefix>_log.txt`; `_P1.mtz`, `--estimate-beam-center` and `--beam-center-search` are removed.
* Rugnux: The beam-stop shadow is found correctly on tilted detectors.
* Rugnux: Stills files that record a stationary goniometer axis get the default stills geometry refinement.
* jfjoch_viewer: "Analyze dataset" uses the same defaults as a bare `rugnux <file>`, and shows the results of processed CBF, marCCD and SMV sweeps.
* jfjoch_viewer: The Files panel refreshes on F5 and every few seconds, and the plot type and other selections stay put during live collection.
* jfjoch_writer: Memory stays bounded and old data files are closed efficiently on long runs, any failure ends the run in an error state the broker is told about, and the master file appears only after its data files; the ZeroMQ pusher logs when a stalled writer makes it drop images.
* Fixes: The TCP image pusher no longer blocks the broker's receiver, GPU out-of-memory failures stop with a clear message, and the XDS plugin masks module and chip edges.

---------

Co-authored-by: Filip Leonarski <jungfrau@filips-mac-mini.home>
Reviewed-on: #85
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-16 15:34:43 +02:00

306 lines
14 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <QObject>
#include <QString>
#include <QVector>
#include <QRect>
#include <QMutex>
#include <QTimer>
#include <QElapsedTimer>
#include "../reader/JFJochHDF5Reader.h"
#include "../reader/JFJochCBFReader.h"
#include "../reader/JFJochMarCCDReader.h"
#include "../reader/JFJochSMVReader.h"
#include "../common/Logger.h"
#include "JFJochHttpReader.h"
#include "../image_analysis/MXAnalysisWithoutFPGA.h"
#include "../common/BraggIntegrationSettings.h"
#include "../common/ScalingSettings.h"
#include "../image_analysis/bragg_prediction/BraggPrediction.h"
#include "../image_analysis/LoadFCalcFromMtz.h" // ReferenceMtzData + LoadReferenceMtz
#include "../gemmi_gph/gemmi/symmetry.hpp"
#include "SimpleImage.h"
#include "ReferenceMtzInfo.h"
#include "../common/MovingAverage.h"
Q_DECLARE_METATYPE(std::shared_ptr<const JFJochReaderDataset>)
Q_DECLARE_METATYPE(std::shared_ptr<const JFJochReaderImage>)
Q_DECLARE_METATYPE(DiffractionExperiment)
Q_DECLARE_METATYPE(SpotFindingSettings)
Q_DECLARE_METATYPE(IndexingSettings)
Q_DECLARE_METATYPE(AzimuthalIntegrationSettings)
Q_DECLARE_METATYPE(BraggIntegrationSettings)
Q_DECLARE_METATYPE(ScalingSettings)
Q_DECLARE_METATYPE(UnitCell)
Q_DECLARE_METATYPE(std::shared_ptr<const SimpleImage>)
Q_DECLARE_METATYPE(BrokerStatus)
Q_DECLARE_METATYPE(ROIDefinition)
// Everything a reprocessing job needs, captured from the worker's current state in one locked read.
struct ReprocessingInputs {
bool valid = false;
QString file;
DiffractionExperiment experiment;
PixelMask pixel_mask;
SpotFindingSettings spot_finding;
std::vector<MergedReflection> reference_data; // empty unless a reference (MTZ / SF-mmCIF) is loaded
// The rest of what the reference fixes, as `rugnux -z` does: its free-R partition, its cell and
// the space group in the setting it is written in. Empty/unset without a reference.
bool reference_has_free_flags = false;
std::optional<UnitCell> reference_cell;
std::optional<gemmi::SpaceGroup> reference_space_group;
QString reference_path;
QString reference_column;
QString model_path; // atomic model for post-merge validation (`rugnux --model`); empty = none
// The rotation axis the file was opened with, before the settings panel had a say. `experiment`
// carries the panel's, which may have cleared it; this is what a fresh `rugnux` run would see.
std::optional<GoniometerAxis> file_goniometer;
// Whether the file states ice-ring flagging; unset, a run decides it as `rugnux` does.
std::optional<bool> file_detect_ice_rings;
};
#include "RunData.h"
class JFJochImageReadingWorker : public QObject {
Q_OBJECT
public:
// HTTPSync: follow latest image + dataset. HTTPSyncDataset: follow dataset/plots/image count
// but keep the displayed image frozen (entered by manually selecting an image while following).
enum class AutoloadMode {HTTPSync, HTTPSyncDataset, Movie, None};
Q_ENUM(AutoloadMode)
private:
mutable QMutex m;
bool http_mode = false;
AutoloadMode autoload_mode = AutoloadMode::None;
// A stored file is read by one of these, whichever its format needs; file_reader points at the
// one in use. The HDF5-only extras - calibration images and reprocessing snapshots - always go
// through hdf5_reader. A raw image sweep has no calibration images and its runs are files of their
// own (raw_runs_ below), so cbf_mode covers all three of the raw formats rather than CBF alone.
JFJochHDF5Reader hdf5_reader;
JFJochCBFReader cbf_reader;
JFJochMarCCDReader marccd_reader;
JFJochSMVReader smv_reader;
JFJochReader *file_reader = &hdf5_reader;
bool cbf_mode = false; // "a raw sweep is open", whichever of the three formats it is
// The runs of a raw sweep. A run of an HDF5 file is a snapshot - its metadata read back over the
// file's own images - but a raw sweep has no HDF5 to hang one on. Its run's _process.h5 carries
// the images as well, so showing that run means reading that file (with hdf5_reader), and showing
// "Original" means reading the sweep again (raw_reader_).
struct RawRun {
std::string path;
std::shared_ptr<const JFJochReaderDataset> dataset;
};
JFJochReader *raw_reader_ = nullptr;
std::map<std::string, RawRun> raw_runs_;
std::string raw_active_ = "Original";
JFJochHttpReader http_reader;
QString current_file;
DiffractionExperiment curr_experiment;
// Once the user edits ROIs they override whatever the file carried, for this and
// every subsequently loaded image, until a new file is opened.
std::optional<ROIDefinition> roi_override_;
// The rotation axis of the open file, captured before the settings panel can change it — see
// ReprocessingInputs::file_goniometer.
std::optional<GoniometerAxis> file_goniometer_;
std::optional<bool> file_detect_ice_rings_;
std::map<std::string, QString> run_labels_; // snapshot id -> editable display label
IndexingSettings indexing_settings;
AzimuthalIntegrationSettings azint_settings;
BraggIntegrationSettings bragg_settings;
ScalingSettings scaling_settings;
// Reference reflections (from a reference MTZ), kept independent of the loaded dataset - they
// survive file switches and feed reference-based scaling / CCref reprocessing jobs.
std::optional<ReferenceMtzData> reference_;
QString reference_path_; // where reference_ was loaded from (for the command line)
QString model_path_;
std::unique_ptr<IndexerThreadPool> indexing;
std::shared_ptr<JFJochReaderImage> current_image_ptr;
std::unique_ptr<AzimuthalIntegrationMapping> azint_mapping;
std::unique_ptr<MXAnalysisWithoutFPGA> image_analysis;
std::unique_ptr<IndexAndRefine> index_and_refine;
// Azimuthal profile buffer of the most recently analyzed image (filled by Analyze).
std::unique_ptr<AzimuthalIntegrationProfile> last_profile_;
SpotFindingSettings spot_finding_settings;
std::optional<int64_t> current_image;
int64_t current_summation = 1;
int64_t total_images = 0;
int64_t jump_value = 1;
Logger logger{"jfjoch_viewer"};
bool auto_reanalyze = false;
QTimer *autoload_timer;
int autoload_interval = 500; // milliseconds
// Broker status polling (independent of image sync, runs whenever connected over HTTP)
QTimer *status_timer = nullptr;
int status_interval = 1000; // milliseconds
bool http_connected = false;
// Adaptive autoload interval based on recent load+analysis time
MovingAverage autoload_ms_ma{8}; // window size (tune as needed)
int autoload_interval_min_ms = 50; // 20 Hz is the top performance!
int autoload_interval_max_ms = 2000; // 0.5 Hz as bottom limit
float autoload_safety_factor = 2.0f;
// Backpressure: cap how many frames may be "in flight" to the GUI (emitted but not yet rendered
// and acked via ImageConsumed). The autoload timer won't produce another frame while the cap is
// reached, so a fast producer can't grow the queued-event backlog without bound.
int images_in_flight = 0;
int max_images_in_flight = 4;
// Same backpressure for the dataset stream (see EmitDatasetLoaded_i / DatasetConsumed): each
// queued datasetLoaded event pins a full dataset (mask + per-image plots), so cap how many may
// be in flight to the GUI. This also coalesces dataset-only follow (HTTPSyncDataset), which emits
// no image and so was never gated by images_in_flight - stale datasets are dropped, the next tick
// sends the latest. Without this the datasetLoaded backlog grew without bound (100 GB OOM).
int datasets_in_flight = 0;
int max_datasets_in_flight = 2;
// File open retry/back-off (GPFS via NFSv4 visibility lag)
struct PendingLoadRequest {
QString filename;
qint64 image_number = 0;
qint64 summation = 1;
};
QTimer *file_open_retry_timer = nullptr;
PendingLoadRequest pending_load;
bool file_open_retry_active = false;
bool file_open_retry_warned = false;
int file_open_retry_attempts = 0;
int file_open_retry_delay_ms = 100;
int file_open_retry_delay_max_ms = 10000;
QElapsedTimer file_open_retry_elapsed;
void ResetFileOpenRetry_i();
void ScheduleFileOpenRetry_i(const QString& reason);
void LoadFile_i(const QString &filename, qint64 image_number, qint64 summation, bool retry);
void LoadImage_i(int64_t image_number, int64_t summation);
void EmitImageLoaded_i(const std::shared_ptr<const JFJochReaderImage>& image);
void EmitDatasetLoaded_i(const std::shared_ptr<const JFJochReaderDataset>& dataset);
void RefreshDatasetOnly_i();
void SetHttpConnected_i(bool connected, const QString &addr);
// Assumes m locked. A 401 from the broker: clear the display, stop following, tell the status bar.
void HandleUnauthorized_i(const QString &filename);
void ReanalyzeImage_i();
void UpdateDataset_i(const std::optional<DiffractionExperiment>& experiment);
void UpdateAzint_i(const JFJochReaderDataset *dataset);
void UpdateUserMask_i(const std::vector<uint32_t> &mask);
void SetROIDefinition_i(const ROIDefinition &rois);
void ApplyROIOverrideToImage_i(); // rewrite current_image_ptr's dataset with roi_override_
void setAutoLoadMode_i(AutoloadMode mode);
void ActivateSnapshot_i(const QString &name);
void EmitRuns_i();
std::string ActiveRun_i() const;
QStringList RunNames_i() const; // emit runsChanged with every snapshot dataset + its label
void EmitReferenceInfo_i(); // emit referenceMtzChanged from reference_ + current data
signals:
void datasetLoaded(std::shared_ptr<const JFJochReaderDataset>);
void imageLoaded(std::shared_ptr<const JFJochReaderImage>);
void imageStatsUpdated(std::shared_ptr<const JFJochReaderImage>);
void imageNumberChanged(int64_t total_images, int64_t current_image);
void setRings(const QVector<float> &v);
void simpleImageLoaded(std::shared_ptr<const SimpleImage> image);
void autoloadChanged(AutoloadMode mode);
void fileLoadError(QString title, QString message);
void fileLoadRetryStatus(bool active, QString message);
void brokerStatusUpdated(BrokerStatus status);
void httpConnectionChanged(bool connected, QString addr);
// The broker refused the dataset (401): the display was cleared, nothing else is raised.
void httpAuthRequired(QString message);
void liveRateChanged(double hz);
void snapshotsChanged(QStringList names, QString active);
void runsChanged(QVector<RunData> runs, QString active_id);
void fileOpened(); // a new file/stream was loaded - listeners should reset per-file state
void referenceMtzChanged(ReferenceMtzInfo info); // a reference MTZ was (un)loaded - update the dock
public:
JFJochImageReadingWorker(const SpotFindingSettings &settings, const DiffractionExperiment& experiment, QObject *parent = nullptr);
~JFJochImageReadingWorker() override = default;
// Captures the current file + experiment + mask + spot-finding settings so a processing job
// uses exactly the same settings as interactive analysis. Thread-safe (locks the worker mutex).
ReprocessingInputs GetReprocessingInputs() const;
private slots:
void AutoLoadTimerExpired();
void StatusTimerExpired();
void FileOpenRetryTimerExpired();
public slots:
void LoadFile(const QString &filename, qint64 image_number, qint64 summation, bool retry);
void CloseFile();
void LoadImage(int64_t image_number, int64_t summation);
void UpdateDataset(const DiffractionExperiment& experiment);
// The calibrant as its ring q values (2*pi/d, 1/A) rather than a cell, so a standard whose rings
// are measured rather than enumerated - hexagonal ice - can be calibrated against too.
void FindCenter(QVector<float> ring_q, bool guess, bool refine_tilt);
void Analyze();
void UpdateSpotFindingSettings(const SpotFindingSettings &settings, const IndexingSettings &indexing, int64_t max_spots);
void ReanalyzeImages(bool input);
void UpdateAzintSettings(const AzimuthalIntegrationSettings& settings);
void UpdateBraggIntegrationSettings(BraggIntegrationSettings settings);
void UpdateScalingSettings(ScalingSettings settings);
// Load (column empty = auto-select) or clear a reference MTZ; kept independent of the dataset.
void SetReferenceMtz(QString path, QString column);
void ClearReferenceMtz();
// Bearer token sent with every broker request (empty = none).
void SetHttpToken(QString token);
// Atomic model a processing job validates its merged data against (empty = none).
void SetModelPath(QString path);
void SetROIDefinition(const ROIDefinition &rois);
void DownloadROIsFromServer();
void UploadROIsToServer();
void MaskFromSelectedROI(QString name, bool add); // rasterise an ROI into the user mask
void SaveUserMaskTIFF(QString filename);
void LoadUserMaskTIFF(QString filename, bool replace);
void UploadUserMask();
void ClearUserMask();
void LoadCalibration(QString dataset);
void setAutoLoadMode(AutoloadMode mode);
void setAutoLoadJump(int64_t val);
// GUI acks that it has consumed (rendered) one frame, freeing an in-flight slot. Drives the
// autoload backpressure so the reader can't outrun the viewer (see images_in_flight).
void ImageConsumed();
// GUI ack that it has consumed (fanned out + rendered) one dataset, freeing an in-flight slot.
// Drives the datasetLoaded backpressure so the reader can't outrun the viewer's dataset drain.
void DatasetConsumed();
// Register a reprocessing result (_process.h5) as a metadata snapshot over the same images and
// make it the active dataset; SetActiveSnapshot switches between registered snapshots.
void RegisterProcessingSnapshot(QString id, QString label, QString master_path);
void SetActiveSnapshot(QString name);
void RenameRun(QString id, QString label); // change a run's display label (legend)
void RemoveRun(QString id); // drop a reprocessing snapshot (not "Original")
};