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Jungfraujoch/viewer/JFJochProcessController.cpp
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leonarski_f a395f358ef
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1.0.0-rc.174 (#84)
* Rugnux: Performance improvements on GPU and CPU (more of the pre-scan and of scaling on the GPU, faster CPU spot finding and crystal refinement), with unchanged results.
* Rugnux: More robust processing - patches of persistently hot pixels are masked, an inconsistent merge triggers a retry at the measured beam centre, and builds targeting different CPU levels give the same results.
* Rugnux: Improved scaling and merging - reflections with an overloaded pixel are dropped, as in XDS, sparse rotation sweeps are scaled more reliably, and French-Wilson amplitudes use an anisotropic Wilson prior.
* Rugnux: Improved space-group determination - glide planes in groups without a centre of symmetry, screw axes from short or weak axial rows kept when a higher group is adopted, and more reliable decisions on twinned and pseudo-symmetric crystals.
* Rugnux: Improved small-molecule processing - spots that grow wider than the integration disk and split spots are integrated over their measured footprint, sparse lattices are integrated on every frame, and the `.hkl` file holds unmerged scaled reflections (SHELX HKLF 4).
* Rugnux: Reads Rigaku d*TREK SMV images (Saturn CCD), including detector 2theta and encoded pixel overflows; home-source (rotating-anode) datasets were added to the validation battery.
* jfjoch_viewer: Fixed processing failing at the end with "Wrong JPEG library version" on Linux; the merge window shows the space group with proper subscripts and a checklist of crystal pathologies.

Reviewed-on: #84
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-06 14:03:18 +02:00

181 lines
7.7 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "JFJochProcessController.h"
#include "../reader/JFJochCBFReader.h"
#include "../reader/JFJochMarCCDReader.h"
#include "../reader/JFJochSMVReader.h"
#include "../reader/JFJochHDF5Reader.h"
#include "../rugnux/ResultReport.h"
#include <QElapsedTimer>
#include <QMetaType>
#include <cmath>
JFJochProcessController::JFJochProcessController(QObject *parent) : QObject(parent) {
qRegisterMetaType<ProcessResult>("ProcessResult");
qRegisterMetaType<std::shared_ptr<const JFJochReaderDataset>>("std::shared_ptr<const JFJochReaderDataset>");
qRegisterMetaType<std::vector<ReportCheck>>("std::vector<ReportCheck>");
}
JFJochProcessController::~JFJochProcessController() {
cancel();
joinWorker_();
}
void JFJochProcessController::joinWorker_() {
if (worker_.joinable())
worker_.join();
}
void JFJochProcessController::start(const QString &file_path, DiffractionExperiment experiment,
PixelMask pixel_mask, ProcessConfig config) {
if (running_.exchange(true))
return; // a job is already running
cancel_pending_ = false;
joinWorker_(); // reap the previous (finished) worker, if any
worker_ = std::thread(&JFJochProcessController::run_, this,
file_path, std::move(experiment), std::move(pixel_mask), std::move(config));
emit started();
}
void JFJochProcessController::cancel() {
cancel_pending_ = true;
if (auto *p = active_.load())
p->Cancel();
}
void JFJochProcessController::run_(QString file_path, DiffractionExperiment experiment,
PixelMask pixel_mask, ProcessConfig config) {
try {
JFJochHDF5Reader hdf5_reader;
JFJochCBFReader cbf_reader;
JFJochMarCCDReader marccd_reader;
JFJochSMVReader smv_reader;
JFJochReader *reader_ptr;
const std::string path = file_path.toStdString();
if (JFJochCBFReader::CanRead(path)) {
cbf_reader.ReadFiles(path);
reader_ptr = &cbf_reader;
} else if (JFJochMarCCDReader::CanRead(path)) {
marccd_reader.ReadFiles(path);
reader_ptr = &marccd_reader;
} else if (JFJochSMVReader::CanRead(path)) {
smv_reader.ReadFiles(path);
reader_ptr = &smv_reader;
} else {
hdf5_reader.ReadFile(path);
reader_ptr = &hdf5_reader;
}
JFJochReader &reader = *reader_ptr;
// Seed the live dataset with the experiment so the chart has geometry context; per-image
// results are filled in by OnImageProcessed as the run progresses.
{
auto base = std::make_shared<JFJochReaderDataset>();
base->experiment = experiment;
std::lock_guard lock(live_mutex_);
live_dataset_ = std::move(base);
last_live_emit_ = {};
}
// The report is rendered from the run's own results after Run(); keep what it needs
// before Rugnux consumes the experiment and the config.
const DiffractionExperiment report_experiment = experiment;
const std::string output_prefix = config.output_prefix;
QElapsedTimer run_timer;
run_timer.start();
Rugnux process(reader, std::move(experiment), std::move(pixel_mask), std::move(config));
active_ = &process;
if (cancel_pending_)
process.Cancel();
ProcessResult result = process.Run(this);
// The same text the CLI writes as <prefix>_report.txt, shown in the analysis window. As
// with WriteResultReport, a run that produced results must not be lost to a report
// failure, so a throw here leaves the report empty rather than failing the job.
QString report;
std::vector<ReportCheck> checks;
if (!result.cancelled) {
try {
RunProvenance provenance;
provenance.wall_time_s = run_timer.elapsed() / 1000.0;
ReportDocument doc = BuildReportDocument(output_prefix, file_path.toStdString(),
report_experiment, result, provenance);
report = QString::fromStdString(RenderReportText(doc, provenance.developer));
checks = std::move(doc.checks);
} catch (...) {
}
}
active_ = nullptr;
running_ = false;
emit finished(result, report, checks);
} catch (const std::exception &e) {
active_ = nullptr;
running_ = false;
emit failed(QString::fromStdString(e.what()));
}
}
void JFJochProcessController::OnPhase(const std::string &phase) {
emit phaseChanged(QString::fromStdString(phase));
}
void JFJochProcessController::OnProgress(uint64_t done, uint64_t total) {
// Throttle to ~200 updates so a long run does not flood the GUI event queue.
const uint64_t step = total > 200 ? total / 200 : 1;
if (done == total || done % step == 0)
emit progress(done, total);
}
void JFJochProcessController::OnImageProcessed(const DataMessage &msg) {
std::shared_ptr<JFJochReaderDataset> snapshot;
{
std::lock_guard lock(live_mutex_);
if (!live_dataset_)
return;
// Place each available per-image result at its ordinal; gaps (images still being processed
// by other threads) read back as NaN.
const int64_t i = msg.number;
auto put = [i](std::vector<float> &v, float val) {
if (static_cast<int64_t>(v.size()) <= i)
v.resize(i + 1, NAN);
v[i] = val;
};
auto &d = *live_dataset_;
// Map this ordinal back to its original image number (for the x-axis of subset/strided runs).
if (static_cast<int64_t>(d.source_image_number.size()) <= i)
d.source_image_number.resize(i + 1, 0);
d.source_image_number[i] = static_cast<int>(msg.original_number.value_or(msg.number));
if (msg.spot_count) put(d.spot_count, *msg.spot_count);
if (msg.spot_count_indexed) put(d.spot_count_indexed, *msg.spot_count_indexed);
if (msg.spot_count_low_res) put(d.spot_count_low_res, *msg.spot_count_low_res);
if (msg.spot_count_ice_rings) put(d.spot_count_ice_rings, *msg.spot_count_ice_rings);
if (msg.indexing_result) put(d.indexing_result, *msg.indexing_result ? 1.0f : 0.0f);
if (msg.indexing_lattice_count) put(d.indexing_lattice_count, *msg.indexing_lattice_count);
if (msg.bkg_estimate) put(d.bkg_estimate, *msg.bkg_estimate);
if (msg.spindle_blind_fraction) put(d.spindle_blind_fraction, *msg.spindle_blind_fraction);
if (msg.resolution_estimate) put(d.resolution_estimate, *msg.resolution_estimate);
if (msg.profile_radius) put(d.profile_radius, *msg.profile_radius);
if (msg.mosaicity_deg) put(d.mosaicity_deg, *msg.mosaicity_deg);
if (msg.b_factor) put(d.b_factor, *msg.b_factor);
if (msg.integrated_reflections) put(d.integrated_reflections, *msg.integrated_reflections);
if (msg.image_scale_factor) put(d.image_scale_factor, *msg.image_scale_factor);
if (msg.image_scale_cc) put(d.image_scale_cc, *msg.image_scale_cc);
// Throttle to ~4 Hz so the GUI plots refresh smoothly without flooding the event queue.
const auto now = std::chrono::steady_clock::now();
if (now - last_live_emit_ < std::chrono::milliseconds(250))
return;
last_live_emit_ = now;
snapshot = std::make_shared<JFJochReaderDataset>(d); // immutable copy for the GUI thread
}
emit liveDataset(snapshot);
}