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Jungfraujoch/reader/HDF5ImageLocator.h
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v1.0.0.rc-162 (#72)
**Files written by Jungfraujoch now import correctly in DIALS, XDS and pyFAI.** A tilted detector, a grid scan, a still recorded at a goniometer position, and saturated or unreadable pixels were each described in a way that a third-party program acted on wrongly. If you process Jungfraujoch data outside Jungfraujoch, prefer this release to any earlier one.

* HDF5: the detector tilt (`rot1`/`rot2`/`rot3`) is exported correctly in the NXmx transformation chain; untilted geometries are unaffected.
* HDF5: a still recorded at a goniometer position is no longer read back as a single image, and a grid scan records a stationary spindle so a program that requires a rotation axis can open it.
* HDF5: the sample transformation chain is written in mounting order, with a Smargon head position told apart from the spindle, one entry per image, `module_offset` as a float unit vector, and `offset_units` on every offset.
* HDF5: saturated, underloaded and unreadable pixels are described so a downstream program masks them - `saturation_value`, `underload_value`, `error_value` and `bit_depth_readout` are written correctly, and a data file missing next to a VDS master reads as the error marker rather than as zero counts.
* HDF5: the rotation axis is read back under whatever name it carries, and `mirror_y` records whether the assembled image is mirrored in Y relative to the detector's raw readout.
* A grid scan and a goniometer axis can both be set; they are no longer alternatives.
* `images_per_file` is chosen from the acquisition when it is not given: a rotation sweep of at most 20000 images goes into a single data file, a grid scan splits on whole fast-axis rows, and stills and serial keep 1000.
* The writer refuses a stream whose start message declares a different pixel format than its images carry, and a DECTRIS detector sending signed images is no longer declared unsigned.
* The image stream can carry the sample transformation chain (`transformations`, in the END message); a producer that does not send it gets the same chain built by the writer.
* rugnux: fixing the space group with `-S` no longer prevents the lattice from being found - a lattice indexed in a different setting is reindexed into that group's own setting, and a run whose crystal does not have that group's lattice stops and names the cell it indexed as, rather than reporting statistics that cannot describe it.
* rugnux: the per-image resolution estimate now predicts the resolution the merged data reach rather than the highest-resolution spot found, and is reported as `SPOT_RESOLUTION_ESTIMATE`.
* rugnux: two runs of the same command on the same images produce the same merged intensities; the azimuthal profile written alongside them is not yet reproducible in the same way.
* rugnux: the offline lattice refinement is bounded by iterations rather than by a wall clock, so a loaded machine can no longer refine to a different lattice; a live acquisition keeps its real-time bound.
* rugnux: the detector-frame modulation correction is fitted on a grid spanning the detector, so whether it is applied no longer depends on how far integration reached.
* rugnux: the geometry pre-pass no longer writes `<prefix>_01.mtz`, `_01.cif`, `_01.hkl` and `_01_image.dat`; the refined second pass writes those files under `<prefix>`, and that is the result to use.
* rugnux: `_process.h5` describes the pixel format of the images it links to, and is written on a thread of its own.
* rugnux: the detector geometry is also logged in XDS's convention (`ORGX`/`ORGY`, detector axis vectors, rotation axis), so it can be compared with an XDS refinement.
* rugnux: an image integrated in pyFAI through the `.poni` file written by `--mode calibration` comes out with the correct azimuth, and the file declares pyFAI's `orientation`, which needs pyFAI 2024.01 or newer. Radial integration is unchanged.
* rugnux: a rotation run is substantially faster throughout - beam-stop detection, first-pass indexing, geometry refinement, integration, scaling and merging - and observations outside the scaling resolution range are dropped as they are ingested. The refined geometry, the space group chosen and the merged statistics are unchanged.
* Faster spot finding and indexing, on the broker as well as in rugnux; the spots found and the lattices indexed are unchanged.
* A run reserves substantially less GPU memory: nothing is allocated for buffers that are never read, and a worker builds only the engines it uses.
* rugnux: with `-N` left at its default the per-image loop of `--mode mx` uses at most 16 workers per GPU, rather than one per hardware thread; an explicit `-N` is obeyed as given.
* CUDA 12 builds now contain device code for Volta, so the RHEL 8 packages and the portable Linux `.tgz` run on a V100; the CUDA 13 artefacts (RHEL 9, Ubuntu, Windows) remain Turing and newer.
* The build resolves a single Eigen for the whole project, and refuses to configure if Ceres picks up a different one; a build that mixed two Eigen versions was undefined behaviour and crashed at -O2.
* Documentation: a security page, and the supported GPU generations and minimum NVIDIA driver version of every released artefact.

**Breaking change to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.162, `frontend/src/client`):
* `dataset_settings.images_per_file` is no longer `default: 1000` and no longer accepts `0`; it is optional, and its minimum is 1. A client sending `0` (previously "one file for the whole run") is now rejected - omit the field instead, which for a rotation sweep gives the same single file.
* `file_writer_format` now defaults to `NXmxVDS`, matching the server's own default and the layout recommended for DIALS, XDS and CrystFEL. A generated client that fills in schema defaults and does not set the format explicitly will write VDS masters where it previously wrote legacy ones; set `NXmxLegacy` explicitly to keep them.

---------

Co-authored-by: jungfrau <jungfrau@mx-aare-test.psi.ch>
Reviewed-on: #72
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-08-25 08:21:39 +02:00

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// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <map>
#include <memory>
#include <optional>
#include <string>
#include <vector>
#include "../writer/HDF5Objects.h" // HDF5ReadOnlyFile, HDF5VirtualDatasetMapping, HDF5DataSetLayout
#include "../common/JFJochMessages.h" // FileWriterFormat, HDF5DataSourceMessage
// Turns a global image number into the HDF5 file + local index that physically holds its pixels,
// for all three on-disk layouts (legacy linked data files, VDS, contiguous/integrated). This is
// the part of the reader whose "links to files stay" constant: it knows where the raw images
// live, independent of which master file the per-image metadata is read from.
//
// Open data-file handles are cached, so scanning many images (e.g. reprocessing) does not reopen
// the same file on every read. HDF5 is not thread-safe, so every call must be made with the
// global hdf5_mutex held by the caller; the locator does no locking of its own.
class HDF5ImageLocator {
public:
struct Location {
std::shared_ptr<HDF5ReadOnlyFile> file;
uint32_t local_index = 0;
// Path the file was opened from. Needed to open it a second time as a plain file, for the
// positional reads HDF5ImageSource does outside the mutex.
std::string path;
};
// Layout description, filled by the reader once the master file has been parsed. All paths
// are absolute: legacy data files and VDS mapping filenames are resolved relative to the
// master before being handed over, so the locator never deals with relative paths.
struct Layout {
FileWriterFormat format = FileWriterFormat::NoFile;
HDF5DataSetLayout data_layout = HDF5DataSetLayout::CONTIGUOUS;
std::shared_ptr<HDF5ReadOnlyFile> master_file;
std::string master_filename;
std::vector<std::string> legacy_files;
size_t images_per_file = 1;
std::vector<HDF5VirtualDatasetMapping> vds_mappings;
};
void Configure(Layout layout);
void Clear();
// Resolve a global image number to {file, local index}. Throws if the image is not covered
// by the layout. Does not bounds-check against the total image count - the caller does that.
Location Resolve(int64_t global_image) const;
// Source mapping for re-writing a derived file (e.g. _process.h5) so it links back to the
// original pixel sources rather than to a master. total_images is supplied by the caller.
// stride is the step between consecutive images of the derived file in the SOURCE: image i of the
// output comes from source image first_image + i * stride. It has to match the stride the caller
// processed with, or the pictures and the per-image analysis in the derived file describe
// different frames.
std::vector<HDF5DataSourceMessage> GetSourceMapping(uint64_t first_image,
std::optional<uint64_t> image_count,
uint64_t total_images,
uint64_t stride = 1) const;
private:
Layout layout_;
mutable std::map<std::string, std::shared_ptr<HDF5ReadOnlyFile> > file_cache_;
std::shared_ptr<HDF5ReadOnlyFile> OpenCached(const std::string &path) const;
};