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* 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>
248 lines
10 KiB
C++
248 lines
10 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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#include "JFJochReceiver.h"
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#include "../common/CUDAWrapper.h"
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#include "../common/time_utc.h"
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#include "JFJochCompressor.h"
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JFJochReceiver::JFJochReceiver(const DiffractionExperiment &in_experiment,
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ImageBuffer &in_image_buffer,
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ImagePusher &in_image_pusher,
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JFJochReceiverCurrentStatus &in_current_status,
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JFJochReceiverPlots &in_plots,
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const SpotFindingSettings &spot_finding_settings,
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Logger &logger,
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const PixelMask &in_pixel_mask,
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ZMQPreviewSocket *in_zmq_preview_socket,
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ZMQMetadataSocket *in_zmq_metadata_socket,
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IndexerThreadPool *indexing_thread_pool)
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: logger(logger),
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experiment(in_experiment),
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spot_finding_settings(spot_finding_settings),
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image_buffer(in_image_buffer),
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image_pusher(in_image_pusher),
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zmq_preview_socket(in_zmq_preview_socket),
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zmq_metadata_socket(in_zmq_metadata_socket),
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current_status(in_current_status),
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plots(in_plots),
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scan_result(in_experiment),
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serialmx_filter(in_experiment),
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pixel_mask(in_pixel_mask),
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// retain_outcomes=false for now: online scaling/merge at the end is not enabled yet, so the
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// whole-run integration_outcome is unused here. Flip back to true when online scaling lands.
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indexer(experiment, indexing_thread_pool, false, /*real_time=*/true) {
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logger.Info("Initializing receiver");
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// Ensure there is nothing running for now
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if (!image_buffer.Finalize(std::chrono::seconds(1)))
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throw JFJochException(JFJochExceptionCategory::WrongDAQState,
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"There are unfinished preview/sending jobs in the buffer");
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logger.Info("Image buffer from previous run finalized");
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current_status.SetProgress(0);
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current_status.SetEfficiency({});
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current_status.SetStatus(JFJochReceiverStatus{}); // GetStatus() is virtual function and cannot be called yet!
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auto start_time_point = std::chrono::steady_clock::now();
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az_int_mapping = std::make_unique<AzimuthalIntegrationMapping>(experiment, pixel_mask);
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auto end_time_point = std::chrono::steady_clock::now();
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auto duration = std::chrono::duration<float>(end_time_point - start_time_point);
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logger.Info("Azimuthal integration mapping done in {:.5f} s with {} threads", duration.count(), az_int_mapping->GetNThreads());
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plots.Setup(experiment, *az_int_mapping);
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push_images_to_writer = (experiment.GetImageNum() > 0) && (!experiment.GetFilePrefix().empty());
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}
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JFJochReceiver::~JFJochReceiver() = default;
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SpotFindingSettings JFJochReceiver::GetSpotFindingSettings() {
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std::unique_lock ul(spot_finding_settings_mutex);
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return spot_finding_settings;
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}
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void JFJochReceiver::UpdateMaxImageSent(int64_t image_number) {
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std::unique_lock ul(max_image_number_sent_mutex);
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if (image_number + 1 > max_image_number_sent)
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max_image_number_sent = image_number + 1;
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}
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void JFJochReceiver::UpdateMaxImageReceived(int64_t image_number) {
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std::unique_lock ul(max_image_number_received_mutex);
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if (image_number + 1 > max_image_number_received)
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max_image_number_received = image_number + 1;
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}
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void JFJochReceiver::UpdateMaxDelay(uint64_t delay) {
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std::unique_lock ul(max_delay_mutex);
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if (!max_delay || (delay > max_delay))
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max_delay = delay;
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}
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JFJochReceiverStatus JFJochReceiver::GetStatus() const {
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JFJochReceiverStatus ret;
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ret.indexing_rate = plots.GetIndexingRate();
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ret.bkg_estimate = plots.GetBkgEstimate();
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if ((experiment.GetImageNum() > 0) && (compressed_size > 0)) {
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ret.compressed_ratio = static_cast<double>(uncompressed_size) / static_cast<double>(compressed_size);
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}
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ret.saturated_pixels = saturated_pixels.Read();
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ret.error_pixels = error_pixels.Read();
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ret.roi_beam_npixel = roi_beam_npixel.Read();
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ret.roi_beam_sum = roi_beam_sum.Read();
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ret.compressed_size = compressed_size;
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ret.max_receive_delay = max_delay;
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ret.max_image_number_sent = max_image_number_sent;
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ret.images_collected = images_collected;
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ret.images_sent = images_sent;
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ret.images_skipped = images_skipped;
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ret.images_written = image_pusher.GetImagesWritten();
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ret.cancelled = cancelled;
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ret.efficiency = GetEfficiency();
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return ret;
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}
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void JFJochReceiver::SendStartMessage() {
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StartMessage message{};
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experiment.FillMessage(message);
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message.arm_date = time_UTC(std::chrono::system_clock::now());
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message.az_int_q_bin_count = az_int_mapping->GetQBinCount();
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message.az_int_bin_to_q = az_int_mapping->GetBinToQ();
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message.az_int_bin_to_two_theta = az_int_mapping->GetBinToTwoTheta();
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message.az_int_phi_bin_count = az_int_mapping->GetAzimuthalBinCount();
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if (az_int_mapping->GetAzimuthalBinCount() > 1) {
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message.az_int_bin_to_phi = az_int_mapping->GetBinToPhi();
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message.az_int_map = az_int_mapping->GetPixelToBin();
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}
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message.writer_notification_zmq_addr = image_pusher.GetWriterNotificationSocketAddress();
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message.rois = experiment.ROI().ExportMetadata();
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if (!experiment.ROI().empty())
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message.roi_map = experiment.ExportROIMap();
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message.max_spot_count = experiment.GetMaxSpotCount();
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std::vector<uint32_t> nexus_mask;
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message.pixel_mask["default"] = pixel_mask.GetMask(experiment);
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SaveStartMessageToImageBuffer(message);
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if (push_images_to_writer)
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image_pusher.StartDataCollection(message);
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if (zmq_preview_socket != nullptr)
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zmq_preview_socket->StartDataCollection(message);
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if (zmq_metadata_socket != nullptr)
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zmq_metadata_socket->StartDataCollection(message);
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}
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void JFJochReceiver::SaveStartMessageToImageBuffer(const StartMessage &msg) {
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std::vector<uint8_t> buffer(MESSAGE_SIZE_FOR_START_END);
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CBORStream2Serializer serializer(buffer.data(), buffer.size());
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serializer.SerializeSequenceStart(msg);
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buffer.resize(serializer.GetBufferSize());
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image_buffer.SaveStartMessage(buffer);
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}
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void JFJochReceiver::SendEndMessage() {
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EndMessage message{};
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message.max_image_number = max_image_number_sent;
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message.images_collected_count = images_collected;
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message.images_sent_to_write_count = images_sent;
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message.max_receiver_delay = max_delay;
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message.efficiency = GetEfficiency();
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message.end_date = time_UTC(std::chrono::system_clock::now());
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message.run_number = experiment.GetRunNumber();
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message.run_name = experiment.GetRunName();
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message.bkg_estimate = plots.GetBkgEstimate();
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message.spindle_blind_fraction = plots.GetSpindleBlindFraction();
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message.ice_ring_score_mean = plots.GetIceRingScore();
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message.indexing_rate = plots.GetIndexingRate();
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message.az_int_result["dataset"] = plots.GetAzIntProfile();
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const auto rotation_indexer_ret = indexer.FinalizeRotationIndexing();
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if (rotation_indexer_ret.has_value()) {
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message.rotation_lattice = rotation_indexer_ret->lattice;
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message.rotation_lattice_type = LatticeMessage{
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.centering = rotation_indexer_ret->search_result.centering,
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.niggli_class = rotation_indexer_ret->search_result.niggli_class,
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.crystal_system = rotation_indexer_ret->search_result.system
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};
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message.rotation_extra_lattices = rotation_indexer_ret->extra_lattices;
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rotation_indexing_lattice = rotation_indexer_ret->lattice;
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rotation_indexing_lattice_type = message.rotation_lattice_type;
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}
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message.unit_cell = indexer.GetConsensusUnitCell();
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// The collection does not stop for an indexer that failed - the images are written regardless - but
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// its indexing rate is then not a statement about the crystal, and the log has to say so.
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if (const int64_t n = indexer.GetIndexerErrorCount(); n > 0) {
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try {
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indexer.RethrowIndexerError();
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} catch (const std::exception &e) {
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logger.Error("Indexing failed {} times in this collection, first with: {}. Those attempts are "
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"left out of the indexing rate, and a rotation lattice may be missing for the same "
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"reason", n, e.what());
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}
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}
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for (int i = 0; i < adu_histogram_module.size(); i++)
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message.adu_histogram["module" + std::to_string(i)] = adu_histogram_module[i]->GetHistogram();
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scan_result.FillEndMessage(message);
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if (push_images_to_writer) {
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if (!image_pusher.EndDataCollection(message))
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logger.Error("End message not sent via ZeroMQ (time-out)");
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logger.Info("Disconnected from writers");
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}
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if (zmq_metadata_socket != nullptr)
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zmq_metadata_socket->EndDataCollection(message);
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if (zmq_preview_socket != nullptr)
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zmq_preview_socket->EndDataCollection(message);
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}
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JFJochReceiverOutput JFJochReceiver::GetFinalStatistics() const {
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JFJochReceiverOutput ret;
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ret.efficiency = GetEfficiency();
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ret.start_time_ms = std::chrono::duration_cast<std::chrono::milliseconds>(start_time.time_since_epoch()).count();
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ret.end_time_ms = std::chrono::duration_cast<std::chrono::milliseconds>(end_time.time_since_epoch()).count();
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ret.writer_queue_full_warning = writer_queue_full;
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ret.status = GetStatus();
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ret.writer_err = writer_error;
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ret.scan_result = scan_result.GetResult();
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ret.scan_result.rotation_lattice = rotation_indexing_lattice;
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if (rotation_indexing_lattice_type) {
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ret.scan_result.rotation_crystal_system = rotation_indexing_lattice_type->crystal_system;
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ret.scan_result.rotation_centering = rotation_indexing_lattice_type->centering;
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}
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ret.images_written = images_written;
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ret.processing_time = plots.GetMeanProcessingTime();
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return ret;
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}
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void JFJochReceiver::Cancel(bool silent) {
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if (!silent) {
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// Remote abort: This tells FPGAs to stop but doesn't do anything to CPU code
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logger.Warning("Cancelling on request");
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cancelled = true;
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}
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}
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void JFJochReceiver::Cancel(const JFJochException &e) {
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logger.Error("Cancelling data collection due to exception");
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logger.ErrorException(e);
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// Error abort: This tells FPGAs to stop and also prevents deadlock in CPU code by setting abort to 1
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cancelled = true;
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}
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