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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * **rugnux: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice. * **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster. * **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory. * **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again. **Breaking change to the rugnux command line:** * `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one. * `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride. **Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional: * `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve. * `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing. **Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional: * The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more. * `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.** Reviewed-on: #71 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
216 lines
8.1 KiB
C++
216 lines
8.1 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 "JFJochHDF5Reader.h"
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#include "../common/JFJochException.h"
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void JFJochHDF5Reader::ReadFile(const std::string &filename) {
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std::unique_lock ul(hdf5_mutex);
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image_source_.Clear();
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snapshots_.clear();
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active_metadata_.reset();
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active_snapshot_.clear();
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number_of_images = 0;
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try {
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auto metadata = std::make_shared<HDF5MetadataSource>();
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auto open_result = metadata->Open(filename, default_experiment);
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image_source_.Configure(std::move(open_result.image_layout));
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// Original file: per-image metadata is co-located with the pixels.
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metadata->UseImageSourceForMetadata(&image_source_);
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number_of_images = open_result.number_of_images;
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snapshots_["Original"] = metadata;
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active_metadata_ = metadata;
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active_snapshot_ = "Original";
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SetStartMessage(metadata->Dataset());
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} catch (const std::exception &e) {
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image_source_.Clear();
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snapshots_.clear();
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active_metadata_.reset();
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active_snapshot_.clear();
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number_of_images = 0;
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SetStartMessage({});
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throw;
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}
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}
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uint64_t JFJochHDF5Reader::GetNumberOfImages() const {
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std::unique_lock ul(hdf5_mutex);
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return number_of_images;
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}
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void JFJochHDF5Reader::Close() {
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std::unique_lock ul(hdf5_mutex);
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image_source_.Clear();
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snapshots_.clear();
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active_metadata_.reset();
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active_snapshot_.clear();
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number_of_images = 0;
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SetStartMessage({});
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}
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HDF5ImageLocator::Location JFJochHDF5Reader::GetImageLocation(int64_t image_number) const {
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if (image_number >= static_cast<int64_t>(number_of_images) || image_number < 0)
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throw JFJochException(JFJochExceptionCategory::HDF5, "Image out of bounds");
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return image_source_.Resolve(image_number);
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}
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std::shared_ptr<JFJochReaderRawImage> JFJochHDF5Reader::GetRawImage(int64_t image_number) {
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std::unique_lock ul(hdf5_mutex);
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if (!active_metadata_)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Cannot load image if file not loaded");
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auto loc = GetImageLocation(image_number);
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auto ret = std::make_shared<JFJochReaderRawImage>();
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ret->image = image_source_.ReadImageAt(ret->image_buffer, loc);
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return ret;
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}
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bool JFJochHDF5Reader::LoadImage_i(std::shared_ptr<JFJochReaderDataset> &dataset,
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DataMessage &message,
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std::vector<uint8_t> &buffer,
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int64_t image_number,
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bool update_dataset) {
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std::unique_lock ul(hdf5_mutex);
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(void) update_dataset;
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if (!dataset)
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return false;
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if (!active_metadata_)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Cannot load image if file not loaded");
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// Pixels from the shared image source, per-image metadata from the active snapshot.
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auto loc = GetImageLocation(image_number);
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message.image = image_source_.ReadImageAt(buffer, loc);
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message.number = image_number;
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active_metadata_->FillPerImage(message, image_number, dataset);
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return true;
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}
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std::vector<HDF5DataSourceMessage> JFJochHDF5Reader::GetHDF5DataSource(uint64_t first_image,
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std::optional<uint64_t> image_count,
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uint64_t stride) const {
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std::unique_lock ul(hdf5_mutex);
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if (!active_metadata_)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Cannot generate HDF5 source mapping if file not loaded");
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return image_source_.GetSourceMapping(first_image, image_count, number_of_images, stride);
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}
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std::vector<IntegrationOutcome> JFJochHDF5Reader::ReadReflections(size_t start_image,
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std::optional<size_t> end_image) const {
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std::unique_lock ul(hdf5_mutex);
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if (!active_metadata_)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Cannot read reflections if file not loaded");
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return active_metadata_->ReadReflections(start_image, end_image);
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}
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std::vector<SpotToSave> JFJochHDF5Reader::ReadSpots(int64_t image) const {
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std::unique_lock ul(hdf5_mutex);
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if (!active_metadata_)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Cannot read spots if file not loaded");
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return active_metadata_->ReadSpots(image);
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}
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bool JFJochHDF5Reader::HasStoredSpots() const {
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std::unique_lock ul(hdf5_mutex);
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return active_metadata_ && active_metadata_->HasSpots();
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}
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CompressedImage JFJochHDF5Reader::ReadCalibration(std::vector<uint8_t> &tmp, const std::string &name) const {
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std::unique_lock ul(hdf5_mutex);
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if (!active_metadata_)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Master file not loaded");
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return active_metadata_->ReadCalibration(tmp, name);
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}
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void JFJochHDF5Reader::RegisterSnapshot(const std::string &name, const std::string &master_path) {
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std::unique_lock ul(hdf5_mutex);
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if (!active_metadata_)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Open a dataset before registering a snapshot");
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auto metadata = std::make_shared<HDF5MetadataSource>();
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auto open_result = metadata->Open(master_path, default_experiment);
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// A snapshot may cover a subset of the images (a sub-range or filtered reprocessing); its
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// /entry/detector/number map (read in Open) ties each snapshot image back to an original one.
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// It just must not claim more images than the dataset has.
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if (open_result.number_of_images > number_of_images)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Snapshot has more images than the open dataset");
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// Snapshot pixels come from the existing image source; its own (integrated) master holds the
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// per-image metadata at the global index.
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metadata->UseImageSourceForMetadata(nullptr);
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snapshots_[name] = metadata;
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}
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void JFJochHDF5Reader::RemoveSnapshot(const std::string &name) {
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std::unique_lock ul(hdf5_mutex);
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if (name == "Original")
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return; // the original file metadata is always kept
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snapshots_.erase(name);
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if (active_snapshot_ == name) {
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active_metadata_ = snapshots_.at("Original");
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active_snapshot_ = "Original";
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SetStartMessage(active_metadata_->Dataset());
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}
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}
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void JFJochHDF5Reader::SetActiveSnapshot(const std::string &name) {
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std::unique_lock ul(hdf5_mutex);
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auto it = snapshots_.find(name);
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if (it == snapshots_.end())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Unknown snapshot: " + name);
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active_metadata_ = it->second;
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active_snapshot_ = name;
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SetStartMessage(active_metadata_->Dataset());
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}
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std::vector<std::string> JFJochHDF5Reader::SnapshotNames() const {
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std::unique_lock ul(hdf5_mutex);
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std::vector<std::string> names;
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names.reserve(snapshots_.size());
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for (const auto &[name, _]: snapshots_)
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names.push_back(name);
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return names;
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}
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std::string JFJochHDF5Reader::ActiveSnapshot() const {
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std::unique_lock ul(hdf5_mutex);
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return active_snapshot_;
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}
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std::vector<std::pair<std::string, std::shared_ptr<const JFJochReaderDataset>>>
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JFJochHDF5Reader::AllSnapshotDatasets() const {
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std::unique_lock ul(hdf5_mutex);
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std::vector<std::pair<std::string, std::shared_ptr<const JFJochReaderDataset>>> out;
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out.reserve(snapshots_.size());
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// "Original" first, then the rest, so overlay colours stay stable across updates.
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if (auto it = snapshots_.find("Original"); it != snapshots_.end())
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out.emplace_back(it->first, it->second->Dataset());
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for (const auto &[name, source]: snapshots_)
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if (name != "Original")
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out.emplace_back(name, source->Dataset());
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return out;
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}
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