Files
Jungfraujoch/broker/JFJochStateMachine.h
T
leonarski_f 749db470ca
Build Packages / build:rpm (rocky9) (push) Successful in 19m56s
Build Packages / Unit tests (push) Skipped
Build Packages / build:windows:nocuda (push) Successful in 16m57s
Build Packages / build:windows:cuda (push) Successful in 19m18s
Build Packages / build:viewer-tgz:cpu (push) Successful in 14m48s
Build Packages / build:viewer-tgz:cuda (push) Successful in 16m18s
Build Packages / build:rugnux-tgz (x86_64) (push) Successful in 14m19s
Build Packages / build:rugnux:windows (push) Successful in 10m34s
Build Packages / build:rugnux:aarch64 (cross) (push) Successful in 8m49s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 20m55s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 17m4s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 20m48s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 19m15s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 24m26s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 20m32s
Build Packages / build:rpm (rocky8) (push) Successful in 23m39s
Build Packages / Generate python client (push) Successful in 46s
Build Packages / Build documentation (push) Successful in 1m45s
Build Packages / Create release (push) Skipped
Build Packages / XDS test (durin plugin) (push) Successful in 11m3s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 11m30s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 20m10s
Build Packages / XDS test (neggia plugin) (push) Successful in 10m17s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 23m12s
Build Packages / DIALS test (push) Successful in 20m12s
v1.0.0-rc.164 (#74)
* rugnux now tells you whether a crystal diffracts anisotropically and how far it reaches in each direction, without a second program: a new `9. DIFFRACTION ANISOTROPY` section in `<prefix>_report.txt` and matching `_reflns.pdbx_aniso_B_tensor_*` / `_reflns.jfjoch_aniso_*` items in the merged mmCIF report the anisotropic deltaB, the diffraction limit along each principal direction, and a `NOT DETECTED` / `DETECTED` / `CANNOT DETERMINE` verdict measured against the data set's own systematic error. It is a description only - no intensity is corrected, no reflection is removed, and the merged data do not depend on direction.
* rugnux can hand its integrated observations to another scaling program: `--export-unmerged` writes `<prefix>_unmerged.mtz`, an unmerged MTZ readable by aimless, pointless, careless and `iotbx.merging_statistics`, in `--mode mx` and `--mode scale` alike. Each rotation reflection's partials are summed into one full; `--export-unmerged-partials` writes one row per image instead. Intensities carry the Lorentz-polarization factor and nothing else, since those programs scale the data themselves. Lattice-centring absences are not written; screw and glide absences are.
* rugnux integrates crystals with broad spots better - where it changes anything, per-shell mean I/sigma improves by up to 31% and R_meas by up to 24% - because on rotation data the integration signal radius is now taken from the crystal's own measured spot width instead of a fixed 4 px. `--adaptive-integration-radius=off` restores the fixed radius and an explicit `--integration-radius` still overrides both. The widened radius applies to the final integration pass only, and a pattern too dense for it is re-integrated at 4 px with a note in the log.
* rugnux discards fewer stills reflections for want of a background ring, improving per-shell R_meas over most of the signal-bearing range: the stills background ring now runs to 14 px instead of 12. The gain reverses in shells below a mean I/sigma of about 4.
* rugnux determines the space group with thresholds that mean the same thing on a weak crystal as on a strong one: symmetry operators are scored on resolution-normalised intensities (E squared) instead of raw merged intensities, and a reflection counts as genuinely present on its counting significance instead of on the merged I/sigma, which saturates at the merge's own ISa. The search resolution cut is no longer able to move the answer, and the twin-law H bound moves from 1.70 to 1.85, which stops one class of correct high-symmetry assignment being refused as twinning.
* rugnux says what the space-group search tested and what it could not: the twin-law disagreement H is printed for every operator together with the adopted point group's H ratio and its bound; alternatives that are not on the reported lattice are named with how their cell differs; and a lattice centring the data could not test - the crystal having been integrated on the primitive sub-cell, so the reflections it extinguishes were never measured - is marked `UNTESTED` and warned about where it is adopted, as coming from the lattice metric rather than from the intensities.
* rugnux `--mode scale` re-merges a `_process.h5` in the right symmetry without being told it: the file now records the space group on every run - a two-pass rotation run wrote none before, so re-merging defaulted to P1 - together with the change of basis under `/entry/MX/reindexMatrix` where the lattice was re-seated, and `--mode scale` also reports the Wilson B-factor estimate instead of `WILSON_B= nan`. A file written before this stops with a message naming the two cells and the override to use, instead of failing inside the merge. A third-party reader of a `_process.h5` must apply `reindexMatrix` where it is present.
* rugnux installs on its own, as a package called `rugnux` - `dnf install rugnux` or `apt install rugnux` - instead of arriving inside `jfjoch-viewer`. It pulls in none of the acquisition stack, so a machine that only processes data no longer has to carry the broker, the detector libraries or Qt to get it. Installing it over a `jfjoch-viewer` from rc.163 or earlier, which still owns `/usr/bin/rugnux`, upgrades cleanly rather than failing on the duplicate file.
* rugnux is also a standalone download, built for arm64 as well as x86_64: `rugnux-<version>-linux-{x86_64|aarch64}-cuda<major>.tgz` and `rugnux-<version>-win64-cuda<major>.zip` on the release page, for machines that are not managed by a package manager. The aarch64 build targets GH200 and DGX Spark, and is untested on hardware.
* Every portable Linux binary is now a single self-contained file: cuFFT is linked statically instead of being shipped beside the executable and found through an rpath, so `rugnux` and `jfjoch_viewer` need nothing but an NVIDIA driver, and only to use the GPU. The `.rpm`/`.deb` continue to take cuFFT from the distribution. The developer utilities `jfjoch_extract_hkl` and `jfjoch_recompress` are no longer packaged anywhere.
* Jungfraujoch needs six fewer shared libraries on the machine - libopenblas and libmetis, and libgfortran, libquadmath, libgomp and libz behind them - because the Ceres LAPACK, METIS and SuiteSparse back-ends are no longer built. Nothing in the code ever selected them, and results are unchanged.
* The PCIe driver DKMS package builds for the kernel it is being installed for instead of the running one, so a module built while a kernel update is being applied loads after the reboot.
* The PCIe driver builds on RHEL 9.5 and later, and on their CentOS Stream, Rocky and AlmaLinux equivalents, where the `vm_flags` kernel interface was backported into the 5.14 kernel.
* A data collection started with `async_start` that fails to start - a writer refusing to overwrite an existing file, for instance - is reported as an error by `/wait_until_running` and `/wait_till_done` instead of as a timeout and a successful collection respectively. The error message is the one the writer gave.
* A calibration that is cancelled or that fails to collect its pedestals is no longer reported as a successful one. The broker goes to `Inactive` with an error message and has to be initialized again, instead of sitting in `Idle` looking ready to measure while holding partial pedestals - data collected in that state was silently mis-converted.
* A failed `/initialize` is reported to `/wait_until_running` and `/wait_till_done` as soon as it happens, instead of when their timeout expires.
* `space_group_number` accepts space groups up to 230 in the API schema, so cubic space groups can be recorded. The broker always accepted them; the generated clients rejected them before the request was sent.
* The results report's `REPORT_VERSION` is 3, two sections having been added. Existing key names and table columns are unchanged.
* The merged statistics table has **9** resolution shells instead of 10, which is what XDS reports. The bins were already XDS's - equal steps in 1/d^2 between the lowest- and the highest-resolution reflection the merge kept - so at the same resolution limits the two tables now have the same shell boundaries and can be read row for row. `--resolution-shells` sets a different count.
* `rugnux --model` now settles the frame the merged reflections are written in, not only the frame the R-factors and the maps are computed in: the `.mtz`/`.cif`/`.hkl` come out in the model's indexing, and where the data were merged in the model's enantiomorph they take the model's hand and space group - which on anomalous data puts I(+) and I(-) the right way round. The indexing choice is logged with the winning R-free and the runner-up, so a decision made within noise is visible.
* `rugnux --model` can resolve the indexing ambiguity of a **serial stills** run, which a model could not do before: structure factors computed from the model become the per-image reference, the same role a reference MTZ plays. It needs the cell and space group up front (`-C` / `-S`). Without one or the other, a merohedral serial run still merges both hands together and says so.
* The rugnux documentation opens with a quick start - the default run, and runs with a reference MTZ, with a model, or with the space group and cell pinned - and explains the indexing ambiguity: what it costs on rotation and on serial data, and which of `-z` / `--model` resolves it in each case. The long reference pages now carry a table of contents.

Reviewed-on: #74
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-08-26 22:47:00 +02:00

262 lines
9.8 KiB
C++

// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <string>
#include <mutex>
#include <future>
#include <optional>
#include <exception>
#include "../common/DiffractionExperiment.h"
#include "../jungfrau/JFCalibration.h"
#include "../common/Logger.h"
#include "JFJochServices.h"
#include "../common/ROIMap.h"
#include "../common/BrokerStatus.h"
struct DetectorListElement {
std::string description;
std::string serial_number;
std::string base_ipv4_addr;
int64_t udp_interface_count;
int64_t nmodules;
int64_t width;
int64_t height;
std::chrono::nanoseconds readout_time;
std::chrono::nanoseconds min_frame_time;
std::chrono::nanoseconds min_count_time;
DetectorType detector_type;
float pixel_size_mm;
};
struct DetectorList {
std::vector<DetectorListElement> detector;
int64_t current_id;
};
struct MeasurementStatistics {
std::string file_prefix;
std::string experiment_group;
int64_t run_number;
int64_t images_expected;
int64_t images_collected;
int64_t images_sent;
int64_t images_skipped;
std::optional<int64_t> images_written;
int64_t max_image_number_sent;
std::optional<float> collection_efficiency;
std::optional<float> compression_ratio;
bool cancelled;
std::optional<int64_t> max_receive_delay;
std::optional<float> indexing_rate;
int64_t detector_width;
int64_t detector_height;
int64_t detector_pixel_depth;
std::optional<float> bkg_estimate;
std::optional<std::pair<float, float>> beam_center_drift_pxl;
std::string unit_cell;
std::optional<float> error_pixels;
std::optional<float> saturated_pixels;
std::optional<float> roi_beam_npixel;
std::optional<float> roi_beam_sum;
};
class JFJochStateMachine {
Logger &logger;
JFJochServices &services;
std::future<void> measurement;
// assuming immutable during normal operation
std::vector<DetectorSetup> detector_setup;
std::vector<JFModuleGainCalibration> gain_calibration;
mutable std::mutex experiment_detector_settings_mutex;
mutable std::mutex experiment_azimuthal_integration_settings_mutex;
mutable std::mutex experiment_instrument_metadata_mutex;
mutable std::mutex experiment_image_format_settings_mutex;
mutable std::mutex experiment_file_writer_settings_mutex;
mutable std::mutex experiment_indexing_settings_mutex;
mutable std::mutex experiment_dark_mask_settings_mutex;
DiffractionExperiment experiment;
// mutex m is protecting:
mutable std::mutex m;
std::condition_variable c;
std::atomic<JFJochState> state = JFJochState::Inactive; // state should not be set directly, but through SetState function
std::atomic<bool> cancel_sequence = false;
std::unique_ptr<JFCalibration> calibration;
PixelMask pixel_mask;
int64_t current_detector_setup; // Lock only on change
std::optional<ScanResult> scan_result;
// Set by MeasurementThread when a Start fails. A synchronous Start() rethrows it directly; an
// asynchronous one has already returned, so the wait functions rethrow it instead. Every entry
// point that begins new work clears it, so it is reported to every caller asking in between but
// never attributed to the operation after it.
std::exception_ptr start_exception;
mutable std::mutex calibration_statistics_mutex;
std::vector<JFCalibrationModuleStatistics> calibration_statistics;
mutable std::mutex data_processing_settings_mutex;
SpotFindingSettings data_processing_settings;
mutable std::mutex pixel_mask_statistics_mutex;
PixelMaskStatistics pixel_mask_statistics;
mutable std::mutex broker_status_mutex;
BrokerStatus broker_status;
mutable std::mutex roi_mutex;
ROIDefinition roi;
bool indexing_possible;
const int32_t gpu_count;
void UpdatePixelMaskStatistics(const PixelMaskStatistics &input);
// Private functions assume that lock m is acquired
void SetState(JFJochState curr_state,
const std::optional<std::string> &message = {},
BrokerStatus::MessageSeverity message_severity = BrokerStatus::MessageSeverity::Info);
void MeasurementThread();
void InitializeThread(std::unique_lock<std::mutex> ul);
bool ImportPedestalG1G2(const JFJochReceiverOutput &receiver_output, size_t gain_level, size_t storage_cell = 0);
bool ImportPedestalG0(const JFJochReceiverOutput &receiver_output);
bool IsRunning() const; // Is state Busy/Pedestal/Measure
void ResetError() noexcept;
// The calibration steps report their own outcome through SetState and return false if the
// sequence was cancelled or the data was not collected properly, so the caller does not
// overwrite that with success.
bool TakeDarkMaskInternal(std::unique_lock<std::mutex> &ul);
void CalibrateDetector(std::unique_lock<std::mutex> ul);
bool CalibrateJUNGFRAU(std::unique_lock<std::mutex> &ul);
bool TakePedestalInternalG0(std::unique_lock<std::mutex> &ul);
bool TakePedestalInternalG1(std::unique_lock<std::mutex> &ul, int32_t storage_cell = 0);
bool TakePedestalInternalG2(std::unique_lock<std::mutex> &ul, int32_t storage_cell = 0);
bool ImportDetectorSettings(const DetectorSettings& input);
void UpdateROIDefinition();
public:
JFJochStateMachine(const DiffractionExperiment& experiment,
JFJochServices &in_services,
Logger &logger,
const SpotFindingSettings &spot_finding_settings = SpotFindingSettings());
~JFJochStateMachine();
void Initialize();
void Pedestal();
void Deactivate();
void Start(const DatasetSettings& settings, bool async = false);
BrokerStatus WaitTillNotBusy(std::chrono::milliseconds timeout);
BrokerStatus WaitTillMeasurementDone();
BrokerStatus WaitTillMeasurementDone(std::chrono::milliseconds timeout);
void Trigger();
void Cancel();
void SetCalibrationStatistics(const std::vector<JFCalibrationModuleStatistics> &input);
DetectorSettings GetDetectorSettings() const;
void LoadDetectorSettings(const DetectorSettings& settings);
InstrumentMetadata GetInstrumentMetadata() const;
void LoadInstrumentMetadata(const InstrumentMetadata& settings);
FileWriterSettings GetFileWriterSettings() const;
void LoadFileWriterSettings(const FileWriterSettings& settings);
ImageFormatSettings GetImageFormatSettings() const;
void LoadImageFormatSettings(const ImageFormatSettings& settings);
void RawImageFormatSettings();
void ConvImageFormatSettings();
// return by value to ensure thread safety
std::optional<MeasurementStatistics> GetMeasurementStatistics() const;
std::vector<JFCalibrationModuleStatistics> GetCalibrationStatistics() const;
BrokerStatus GetStatus() const;
MultiLinePlot GetPlots(const PlotRequest &request) const;
void GetPlotRaw(std::vector<float> &v,PlotType type, const std::string &roi) const;
void SetSpotFindingSettings(const SpotFindingSettings& settings);
SpotFindingSettings GetSpotFindingSettings() const;
DetectorList GetDetectorsList() const;
void SelectDetector(int64_t id);
std::optional<DetectorStatus> GetDetectorStatus() const;
void SetRadialIntegrationSettings(const AzimuthalIntegrationSettings& settings);
AzimuthalIntegrationSettings GetRadialIntegrationSettings() const;
std::string GetPreviewJPEG(const PreviewImageSettings& settings, int64_t image_number) const;
std::string GetPreviewTIFF(int64_t image_number) const;
std::string GetPedestalTIFF(size_t gain_level, size_t sc) const;
void LoadInternalGeneratorImage(const void *data, size_t size, uint64_t image_number);
void LoadInternalGeneratorImageTIFF(const std::string &s, uint64_t image_number);
// Not thread safe - only for configuration in serial context
DiffractionExperiment Experiment();
// Function for debug only - UNSAFE for real operation
void DebugOnly_SetState(JFJochState state,
const std::optional<std::string> &message = {},
BrokerStatus::MessageSeverity message_severity = BrokerStatus::MessageSeverity::Info);
void SetROIDefinition(const ROIDefinition& input);
ROIDefinition GetROIDefintion() const;
std::vector<uint64_t> GetXFELPulseID() const;
std::vector<uint64_t> GetXFELEventCode() const;
std::string GetFullPixelMaskTIFF() const;
std::string GetUserPixelMaskTIFF() const;
std::vector<uint32_t> GetFullPixelMask() const;
std::vector<uint32_t> GetUserPixelMask() const;
void SetUserPixelMask(const std::vector<uint32_t> &v);
void SetUserPixelMask(const CompressedImage &image);
std::vector<DeviceStatus> GetDeviceStatus() const;
void SetPreviewSocketSettings(const ZMQPreviewSettings &input);
ZMQPreviewSettings GetPreviewSocketSettings();
void SetMetadataSocketSettings(const ZMQMetadataSettings &input);
ZMQMetadataSettings GetMetadataSocketSettings();
void SetIndexingSettings(const IndexingSettings &input);
IndexingSettings GetIndexingSettings() const;
void SetBraggIntegrationSettings(const BraggIntegrationSettings &input);
BraggIntegrationSettings GetBraggIntegrationSettings() const;
PixelMaskStatistics GetPixelMaskStatistics() const;
void GetStartMessageFromBuffer(std::vector<uint8_t> &v);
void GetImageFromBuffer(std::vector<uint8_t> &v, int64_t image_number = -1);
ImageBufferStatus GetImageBufferStatus() const;
void ClearImageBuffer() const;
void AddDetectorSetup(const DetectorSetup& setup); // Not thread safe, only during setup
std::optional<ScanResult> GetScanResult() const;
void SetDarkMaskSettings(const DarkMaskSettings& settings);
DarkMaskSettings GetDarkMaskSettings() const;
ImagePusherStatus GetImagePusherStatus() const;
};