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* jfjoch_broker: Optional live Rugnux analysis of DECTRIS rotation collections inside the broker, with merged data, maps and the placed model written beside the master file, the rotation lattice in the scan result, and a "Rugnux live" tab and dashboard row in the web frontend. * Rugnux: Faster processing, with molecular replacement and model validation spread over several GPUs and run on the Apple GPU on macOS. * Rugnux: The polarization stated in miniCBF and d*TREK headers is used, twinned crystals' space groups are decided more reliably, and a run that finds no lattice still reports every image. Reviewed-on: #86 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
196 lines
7.9 KiB
C++
196 lines
7.9 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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#include "JFJochStartMessageReader.h"
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#include <filesystem>
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#include "spdlog/fmt/fmt.h"
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#include "../common/JFJochException.h"
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namespace {
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// The data file name the writer gives file `file_number` (HDF5Metadata::DataFileName), without
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// the directory: the data files sit next to the master file.
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std::string DataFileName(const StartMessage &start, uint64_t file_number) {
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const std::string prefix = std::filesystem::path(start.file_prefix).filename().string();
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return fmt::format("{:s}_data_{:06d}.h5", prefix, file_number + 1);
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}
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}
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std::shared_ptr<JFJochReaderDataset> DatasetFromStartMessage(const StartMessage &start,
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const DiffractionExperiment &defaults) {
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auto dataset = std::make_shared<JFJochReaderDataset>();
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dataset->arm_date = start.arm_date;
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dataset->jfjoch_release = start.jfjoch_release;
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dataset->error_value = start.error_value;
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dataset->file_detect_ice_rings = start.detect_ice_rings;
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auto &x = dataset->experiment;
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x = defaults;
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// The reader hands every image out as signed 32-bit, as JFJochHDF5Reader does.
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x.BitDepthImage(32);
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x.PixelSigned(true);
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x.FilePrefix(std::filesystem::path(start.file_prefix).filename().string());
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x.BeamX_pxl(start.beam_center_x);
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x.BeamY_pxl(start.beam_center_y);
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x.DetectorDistance_mm(start.detector_distance * 1000.0f);
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x.PoniRot1_rad(start.poni_rot1.value_or(0.0f));
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x.PoniRot2_rad(start.poni_rot2.value_or(0.0f));
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x.PoniRot3_rad(start.poni_rot3.value_or(0.0f));
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x.IncidentEnergy_keV(WVL_1A_IN_KEV / start.incident_wavelength);
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if (start.incident_wavelength_spread)
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x.BandwidthFWHM(start.incident_wavelength_spread.value() / start.incident_wavelength);
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x.DetectIceRings(start.detect_ice_rings.value_or(false));
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DetectorSetup detector = DetDECTRIS(start.image_size_x, start.image_size_y, start.detector_description, {});
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detector.PixelSize_um(start.pixel_size_x * 1e6f);
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detector.MirrorY(start.mirror_y);
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detector.ImageOrientation(DetectorOrientation(start.detector_orientation_mirror_y,
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start.detector_orientation_quarter_turns));
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detector.SensorThickness_um(start.sensor_thickness * 1e6f);
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detector.SensorMaterial(start.sensor_material);
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detector.SaturationLimit(SaturationLimitFromValue(start.saturation_value));
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detector.BitDepthImage(32);
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detector.MinFrameTime(std::chrono::microseconds(0));
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detector.MinCountTime(std::chrono::microseconds(0));
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detector.ReadOutTime(std::chrono::nanoseconds(0));
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x.Detector(detector);
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x.FrameTime(std::chrono::duration_cast<std::chrono::nanoseconds>(std::chrono::duration<float>(start.frame_time)),
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std::chrono::duration_cast<std::chrono::nanoseconds>(std::chrono::duration<float>(start.count_time)));
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x.Goniometer(start.goniometer);
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x.GridScan(start.grid_scan);
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x.Smargon(start.smargon_position);
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x.NumTriggers(1);
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x.ImagesPerTrigger(static_cast<int64_t>(start.number_of_images));
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InstrumentMetadata instrument;
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instrument.SourceName(start.source_name);
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instrument.SourceType(start.source_type);
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instrument.InstrumentName(start.instrument_name);
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x.ImportInstrumentMetadata(instrument);
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x.SampleName(start.sample_name);
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x.SampleTemperature_K(start.sample_temperature_K);
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x.RingCurrent_mA(start.ring_current_mA);
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x.TotalFlux(start.total_flux);
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x.AttenuatorTransmission(start.attenuator_transmission);
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if (start.beam_size_x && start.beam_size_y) {
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x.BeamSizeX_um(start.beam_size_x.value() * 1e6f);
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x.BeamSizeY_um(start.beam_size_y.value() * 1e6f);
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}
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if (!start.pixel_mask.empty())
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dataset->pixel_mask = std::make_shared<const PixelMask>(start.pixel_mask.begin()->second);
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else
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dataset->pixel_mask = std::make_shared<const PixelMask>(
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std::vector<uint32_t>(start.image_size_x * start.image_size_y));
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return dataset;
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}
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void JFJochStartMessageReader::Open(const StartMessage &start, const std::string &master_path) {
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if (start.images_per_file <= 0)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"The start message gives no images per file");
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number_of_images_ = start.number_of_images;
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images_per_file_ = static_cast<uint64_t>(start.images_per_file);
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const uint64_t files = (number_of_images_ + images_per_file_ - 1) / images_per_file_;
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const std::filesystem::path directory = std::filesystem::path(master_path).parent_path();
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HDF5ImageLocator::Layout layout;
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layout.format = FileWriterFormat::NXmxLegacy;
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layout.images_per_file = images_per_file_;
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for (uint64_t f = 0; f < files; f++)
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layout.legacy_files.push_back({(directory / DataFileName(start, f)).string(), "/entry/data/data"});
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{
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std::unique_lock ul(hdf5_mutex);
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image_source_.Configure(std::move(layout));
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}
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{
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std::unique_lock ul(m_);
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file_images_.assign(files, -1);
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ended_ = false;
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lost_.clear();
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}
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SetStartMessage(DatasetFromStartMessage(start, default_experiment));
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}
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void JFJochStartMessageReader::FileClosed(uint64_t file_number, uint64_t image_count) {
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{
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std::unique_lock ul(m_);
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if (file_number < file_images_.size())
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file_images_[file_number] = static_cast<int64_t>(image_count);
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}
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cv_.notify_all();
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}
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void JFJochStartMessageReader::Ended() {
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{
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std::unique_lock ul(m_);
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ended_ = true;
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}
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cv_.notify_all();
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}
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void JFJochStartMessageReader::Lost(const std::string &why) {
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{
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std::unique_lock ul(m_);
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if (!ended_)
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lost_ = why;
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}
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cv_.notify_all();
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}
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uint64_t JFJochStartMessageReader::GetNumberOfImages() const {
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return number_of_images_;
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}
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void JFJochStartMessageReader::Close() {
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std::unique_lock ul(hdf5_mutex);
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image_source_.Clear();
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SetStartMessage({});
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}
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bool JFJochStartMessageReader::WaitForImage(int64_t image_number) {
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if (image_number < 0 || static_cast<uint64_t>(image_number) >= number_of_images_)
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throw JFJochException(JFJochExceptionCategory::HDF5, "Image out of bounds");
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const uint64_t f = static_cast<uint64_t>(image_number) / images_per_file_;
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std::unique_lock ul(m_);
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cv_.wait(ul, [&] { return file_images_[f] >= 0 || ended_ || !lost_.empty(); });
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if (file_images_[f] < 0) {
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if (!lost_.empty())
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throw LiveCollectionLost(lost_);
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return false; // the collection ended without this file
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}
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return static_cast<int64_t>(static_cast<uint64_t>(image_number) % images_per_file_) < file_images_[f];
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}
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bool JFJochStartMessageReader::ReadRawImage(int64_t image_number, JFJochReaderRawImage &ret) {
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if (!WaitForImage(image_number))
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return false;
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// As JFJochHDF5Reader: only the chunk lookup under the HDF5 lock, the read after it.
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std::optional<HDF5ImageSource::DirectChunk> chunk;
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{
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std::unique_lock ul(hdf5_mutex);
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const auto loc = image_source_.Resolve(image_number);
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chunk = image_source_.PrepareDirectRead(loc);
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if (!chunk) {
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ret.image = image_source_.ReadImageAt(ret.image_buffer, loc);
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return true;
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}
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}
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ret.image = HDF5ImageSource::ReadDirect(ret.image_buffer, *chunk);
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return true;
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}
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bool JFJochStartMessageReader::LoadImage_i(std::shared_ptr<JFJochReaderDataset> &dataset, DataMessage &message,
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std::vector<uint8_t> &buffer, int64_t image_number, bool) {
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if (!dataset || !WaitForImage(image_number))
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return false;
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std::unique_lock ul(hdf5_mutex);
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message.image = image_source_.ReadImageAt(buffer, image_source_.Resolve(image_number));
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message.number = image_number;
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return true;
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}
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