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**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>
132 lines
6.2 KiB
C++
132 lines
6.2 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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#pragma once
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#include <cstdint>
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#include <map>
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#include <memory>
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#include <optional>
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#include <vector>
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#include "HDF5ImageLocator.h"
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#include "../common/CompressedImage.h"
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// Raw-pixel side of the reader. Turns a global image number into a CompressedImage, using
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// HDF5ImageLocator to find the file (with its open-file cache). This is the part whose "links
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// to files stay" constant: switching which master the per-image metadata is read from never
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// touches it. Caller must hold the global hdf5_mutex (HDF5 is not thread-safe).
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// Bit depth and signedness of /entry/data/data as it is STORED. Deliberately not the same thing as
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// the experiment's image format: the reader hands every image out in a signed 32-bit container
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// whatever the file holds (see HDF5MetadataSource), so an output file that links to the original
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// images rather than writing its own must describe them with this, not with the experiment.
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struct StoredPixelFormat {
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int64_t bit_depth = 0;
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bool is_signed = false;
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};
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class HDF5ImageSource {
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public:
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// Plain positional-read handle on a data file, opened alongside the HDF5 one. Owns the handle.
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class RawFile {
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public:
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explicit RawFile(const std::string &path);
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~RawFile();
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RawFile(const RawFile &) = delete;
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RawFile &operator=(const RawFile &) = delete;
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bool IsOpen() const { return handle_ != -1; }
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// Read `size` bytes from byte `address`. Positional and stateless, so any number of threads
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// may call it on the same handle at once. Throws on a short read.
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void ReadAt(void *dst, size_t size, uint64_t address) const;
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private:
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intptr_t handle_ = -1; // a file descriptor on POSIX, a HANDLE on Windows
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};
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// Where the bytes of one image are, and what they decode to. Everything needed to read an image
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// without calling HDF5 again.
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struct DirectChunk {
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// Shared, not borrowed: GetRawImage drops the HDF5 lock before reading through this, so a
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// concurrent Clear() - which ReadFile() and Close() both do - would otherwise free the file
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// and close its descriptor under the reader.
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std::shared_ptr<const RawFile> file;
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uint64_t address = 0;
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uint32_t size = 0;
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hsize_t width = 0;
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hsize_t height = 0;
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CompressedImageMode mode{};
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CompressionAlgorithm algorithm = CompressionAlgorithm::NO_COMPRESSION;
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};
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void Configure(HDF5ImageLocator::Layout layout);
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void Clear();
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[[nodiscard]] StoredPixelFormat GetStoredPixelFormat() const;
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// Where image `global` physically lives. Also used by the metadata source to find the data
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// file that holds a legacy/VDS image's per-image metadata.
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HDF5ImageLocator::Location Resolve(int64_t global) const;
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// Read the pixels at a resolved location into a CompressedImage backed by `buffer`. Templated on
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// the allocator so a caller can hand over a buffer that does not zero what it is about to
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// overwrite (RawByteBuffer).
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template<class Alloc>
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CompressedImage ReadImageAt(std::vector<uint8_t, Alloc> &buffer, const HDF5ImageLocator::Location &loc) const {
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const auto &ds = GetDataset(loc);
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const std::vector<hsize_t> start = {static_cast<hsize_t>(loc.local_index), 0, 0};
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if (ds.direct_chunk)
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ds.dataset->ReadDirectChunk(buffer, start);
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else
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ds.dataset->ReadVectorToU8(buffer, start, {1, ds.height, ds.width});
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return {buffer.data(), buffer.size(), ds.width, ds.height, ds.mode, ds.algorithm};
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}
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// Ask HDF5 where image `loc` is in the file rather than asking it for the image. This is a
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// lookup in the chunk index and nothing else - no read - so the mutex is held for a fraction of
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// what an actual read costs, and the read itself then happens on any number of threads at once
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// through ReadDirect(). Caller must hold hdf5_mutex.
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//
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// Empty when this file cannot be served that way: one chunk per image is what makes an image a
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// single contiguous run of bytes, and a chunk that has never been written has no address at all.
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// The caller falls back to ReadImageAt() then.
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std::optional<DirectChunk> PrepareDirectRead(const HDF5ImageLocator::Location &loc) const;
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// Read what PrepareDirectRead() found. Touches no HDF5 and no shared state, so it needs no
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// mutex; this is the whole point of the two-step split.
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static CompressedImage ReadDirect(RawByteBuffer &buffer, const DirectChunk &chunk);
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std::vector<HDF5DataSourceMessage> GetSourceMapping(uint64_t first_image,
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std::optional<uint64_t> image_count,
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uint64_t total_images,
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uint64_t stride = 1) const;
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private:
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HDF5ImageLocator locator_;
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// /entry/data/data and everything asked of it here - its rank and dimensions, its element type,
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// its chunking, its compression - are properties of the file, identical for every image in it.
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// They used to be looked up again for each image: four HDF5 object opens per frame, inside the
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// global hdf5_mutex that every worker thread queues on. Resolve them once per file instead.
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//
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// The entry keeps the file alive, so the pointer it is keyed by cannot be recycled underneath it
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// and the dataset handle cannot outlive the file it belongs to.
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struct OpenDataset {
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std::shared_ptr<HDF5ReadOnlyFile> file;
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std::unique_ptr<HDF5DataSet> dataset;
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std::shared_ptr<RawFile> raw;
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// HDF5 addresses count from the end of the user block, so they are file offsets only once
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// its size is added. Zero for everything this project writes, but not for every file.
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uint64_t user_block = 0;
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hsize_t width = 0;
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hsize_t height = 0;
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CompressedImageMode mode{};
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CompressionAlgorithm algorithm = CompressionAlgorithm::NO_COMPRESSION;
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bool direct_chunk = false;
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};
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mutable std::map<const HDF5ReadOnlyFile *, OpenDataset> dataset_cache_;
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const OpenDataset &GetDataset(const HDF5ImageLocator::Location &loc) const;
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};
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