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Jungfraujoch/reader/HDF5MetadataSource.h
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v1.0.0-rc.158 (#68)
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.

* Analysis: The azimuthal-integration solid-angle correction now follows the incidence angle to the detector normal (`cos^3` of that angle) instead of `cos^3(2*theta)`, so it is correct for a tilted detector and matches PyFAI `solidAngleArray` and MAX IV azint (unchanged for an untilted detector). Crystal geometry refinement (`XtalOptimizer`) no longer silently ignores an imported PONI `rot3` (rotation about the beam): it is applied as a fixed rotation in the residual so refinement stays consistent with the rest of the pipeline. Polarization and azimuthal binning already honoured `rot3` through the full PONI rotation.
* jfjoch_viewer: Open datasets on the WSL2/UNC filesystem (paths starting `\\`); write processing outputs next to the input file, with a Browse button and independent `_process.h5` / merged `.mtz`/`.cif` toggles; and show the determined space group in the merge-statistics window.
* rugnux: Accept an absolute `-o` output prefix in offline processing.
* Packaging: The self-contained Linux viewer `.tgz` now bundles cuFFT, so it runs without a system CUDA toolkit (`.deb`/`.rpm` are unchanged, distro-managed).
* Docs: Bring the analysis references up to date with the code. `docs/CPU_DATA_ANALYSIS.md` now reflects the unified profile-fit Bragg integration engine, multi-lattice indexing, azimuthal phi binning, the radial parallax/bandwidth profile with sub-pixel centring, the rot3d capture-fraction handling and the automatic CC1/2 resolution cutoff, and drops the descriptions of features that were never implemented (French-Wilson amplitudes, the still excitation-error partiality model); `docs/RUGNUX.md` documents the new `--resolution-cutoff`/`--resolution-cc-target`/`--resolution-shells`, `--min-captured-fraction`, `--mosaicity`, `--reference-column`, the azimuthal correction toggles and the geometry-override options, and corrects the `-N` default. The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-12 19:42:29 +02:00

80 lines
3.9 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <memory>
#include <optional>
#include <string>
#include <unordered_map>
#include <vector>
#include "JFJochReaderDataset.h"
#include "HDF5ImageSource.h"
#include "../common/JFJochMessages.h"
#include "../common/SpotToSave.h"
#include "../common/GoniometerAxis.h"
#include "../common/DiffractionExperiment.h"
#include "../common/DiffractionGeometry.h"
#include "../image_analysis/IntegrationOutcome.h"
// Metadata side of the reader: everything read from one master file that is NOT raw pixels -
// dataset-level metadata (geometry, mask, ROI definitions, azimuthal mapping, the per-image plot
// arrays) and per-image metadata (spots, reflections, MX scalars, azimuthal profile, lattice).
//
// This is the swappable part: a dataset can have several metadata sources over the same images
// (the original _master.h5 plus reprocessing _process.h5 snapshots). Per-image metadata is
// located either through the shared image source (original file: metadata sits in the same files
// as the pixels) or in this master at the global index (integrated _process.h5 snapshot).
//
// HDF5 is not thread-safe; all calls must be made with the global hdf5_mutex held by the caller.
class HDF5MetadataSource {
public:
struct OpenResult {
HDF5ImageLocator::Layout image_layout; // layout implied by this master (for the image source)
uint64_t number_of_images = 0;
};
// Parse a master file's dataset-level metadata into a JFJochReaderDataset. default_experiment
// seeds the dataset's experiment. Returns the image layout it implies; the caller decides
// whether to use it to configure the shared image source.
OpenResult Open(const std::string &filename, const DiffractionExperiment &default_experiment);
// How per-image metadata is located: with image_source set, metadata is co-located with the
// pixels (original file); when null it lives in this master at the global index.
void UseImageSourceForMetadata(const HDF5ImageSource *image_source) { image_source_ = image_source; }
std::shared_ptr<JFJochReaderDataset> Dataset() const { return dataset_; }
uint64_t NumberOfImages() const { return number_of_images; }
// Per-image metadata (spots, azimuthal profile, MX scalars, lattice, reflections) into msg.
void FillPerImage(DataMessage &message, int64_t image_number,
const std::shared_ptr<const JFJochReaderDataset> &dataset) const;
std::vector<SpotToSave> ReadSpots(int64_t image) const;
// True if the file stores spot-finding results (/entry/MX); a plain DECTRIS file has none.
[[nodiscard]] bool HasSpots() const;
std::vector<IntegrationOutcome> ReadReflections(size_t start_image, std::optional<size_t> end_image) const;
CompressedImage ReadCalibration(std::vector<uint8_t> &tmp, const std::string &name) const;
private:
std::shared_ptr<HDF5ReadOnlyFile> master_file;
std::string master_filename;
std::shared_ptr<JFJochReaderDataset> dataset_;
DiffractionGeometry cached_geom;
uint64_t number_of_images = 0;
const HDF5ImageSource *image_source_ = nullptr;
// Inverse of dataset_->source_image_number (original image number -> local index in this
// master). Empty for a 1:1 source; populated when this metadata covers a subset of images.
std::unordered_map<int64_t, int64_t> image_to_local_;
// Translate a global/original image number to the local index in this metadata source, or
// nullopt if this source does not cover that image. Identity for a 1:1 source.
std::optional<int64_t> ToLocalIndex(int64_t image_number) const;
HDF5ImageLocator::Location ResolveMeta(int64_t global) const;
std::optional<GoniometerAxis> ReadAxis(HDF5Object *file, const std::string &name);
void ReadROIMetadata(HDF5ReadOnlyFile &file, JFJochReaderDataset &dataset) const;
};