Files
Jungfraujoch/reader/HDF5ImageLocator.cpp
T
leonarski_fandjungfrau 4dc2534dbf
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 18m57s
Build Packages / Unit tests (push) Skipped
Build Packages / build:windows:nocuda (push) Successful in 16m55s
Build Packages / build:windows:cuda (push) Successful in 18m48s
Build Packages / build:viewer-tgz:cpu (push) Successful in 13m10s
Build Packages / build:viewer-tgz:cuda (push) Successful in 14m45s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 22m23s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 20m12s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 23m7s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 20m43s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 23m9s
Build Packages / XDS test (durin plugin) (push) Successful in 12m26s
Build Packages / build:rpm (rocky9) (push) Successful in 24m58s
Build Packages / Generate python client (push) Successful in 50s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 23m20s
Build Packages / Create release (push) Skipped
Build Packages / XDS test (JFJoch plugin) (push) Successful in 12m37s
Build Packages / build:rpm (rocky8) (push) Successful in 27m58s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 25m38s
Build Packages / Build documentation (push) Successful in 59s
Build Packages / DIALS test (push) Successful in 23m16s
Build Packages / XDS test (neggia plugin) (push) Successful in 6m38s
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

174 lines
7.7 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "HDF5ImageLocator.h"
#include "../common/JFJochException.h"
namespace {
// Coalesce consecutive single-image mappings into one contiguous range when the source and
// virtual images stay contiguous in the same file/dataset.
void AppendOrExtendSourceMapping(std::vector<HDF5DataSourceMessage> &ret,
const std::string &filename,
const std::string &dataset,
uint64_t source_first_image,
uint64_t virtual_first_image,
uint64_t image_count) {
if (image_count == 0)
return;
if (!ret.empty()) {
auto &last = ret.back();
if (last.filename == filename
&& last.dataset == dataset
&& last.source_first_image + last.image_count == source_first_image
&& last.virtual_first_image + last.image_count == virtual_first_image) {
last.image_count += image_count;
return;
}
}
ret.push_back(HDF5DataSourceMessage{
.filename = filename,
.dataset = dataset,
.source_first_image = source_first_image,
.virtual_first_image = virtual_first_image,
.image_count = image_count
});
}
}
void HDF5ImageLocator::Configure(Layout layout) {
file_cache_.clear();
layout_ = std::move(layout);
}
void HDF5ImageLocator::Clear() {
file_cache_.clear();
layout_ = Layout{};
}
std::shared_ptr<HDF5ReadOnlyFile> HDF5ImageLocator::OpenCached(const std::string &path) const {
auto it = file_cache_.find(path);
if (it != file_cache_.end())
return it->second;
auto file = std::make_shared<HDF5ReadOnlyFile>(path);
file_cache_[path] = file;
return file;
}
HDF5ImageLocator::Location HDF5ImageLocator::Resolve(int64_t global_image) const {
if (global_image < 0)
throw JFJochException(JFJochExceptionCategory::HDF5, "Image out of bounds");
if (layout_.format == FileWriterFormat::NXmxLegacy) {
const uint32_t file_id = global_image / layout_.images_per_file;
const uint32_t local_index = global_image % layout_.images_per_file;
const auto &path = layout_.legacy_files.at(file_id);
return {OpenCached(path), local_index, path};
}
if (layout_.format == FileWriterFormat::NXmxVDS
&& layout_.data_layout == HDF5DataSetLayout::VIRTUAL) {
const auto image = static_cast<hsize_t>(global_image);
for (const auto &mapping: layout_.vds_mappings) {
if (!mapping.ContainsVirtualImage(image))
continue;
return {OpenCached(mapping.filename), static_cast<uint32_t>(mapping.SourceImage(image)),
mapping.filename};
}
throw JFJochException(JFJochExceptionCategory::HDF5,
"Image not covered by /entry/data/data VDS mappings");
}
// Contiguous / integrated: pixels live in the master file at the global index.
if (!layout_.master_file)
throw JFJochException(JFJochExceptionCategory::HDF5, "Master file not loaded");
return {layout_.master_file, static_cast<uint32_t>(global_image), layout_.master_filename};
}
std::vector<HDF5DataSourceMessage> HDF5ImageLocator::GetSourceMapping(uint64_t first_image,
std::optional<uint64_t> image_count,
uint64_t total_images,
uint64_t stride) const {
if (stride == 0)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Image stride cannot be zero");
if (first_image > total_images)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"First image outside dataset range");
// With a stride the caller's count is the number of OUTPUT images, which spans
// (count - 1) * stride + 1 source images - not count of them.
const uint64_t requested_count =
image_count.value_or((total_images - first_image + stride - 1) / stride);
if (requested_count > 0 && first_image + (requested_count - 1) * stride >= total_images)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Requested image range outside dataset range");
std::vector<HDF5DataSourceMessage> ret;
if (requested_count == 0)
return ret;
// Integrated / contiguous source: link directly to the original master file.
if (layout_.format == FileWriterFormat::NXmxVDS && layout_.data_layout != HDF5DataSetLayout::VIRTUAL) {
// One extendable run when the images are consecutive; strided output needs one mapping per image,
// which AppendOrExtendSourceMapping leaves separate because the source indices are not adjacent.
for (uint64_t local_image = 0; local_image < requested_count; ++local_image)
AppendOrExtendSourceMapping(ret, layout_.master_filename, "/entry/data/data",
first_image + local_image * stride, local_image, 1);
return ret;
}
// VDS source: expand VDS mappings to original source files, not to the VDS master.
if (layout_.format == FileWriterFormat::NXmxVDS && layout_.data_layout == HDF5DataSetLayout::VIRTUAL) {
for (uint64_t local_image = 0; local_image < requested_count; ++local_image) {
const hsize_t virtual_image = first_image + local_image * stride;
bool found = false;
for (const auto &mapping: layout_.vds_mappings) {
if (!mapping.ContainsVirtualImage(virtual_image))
continue;
const uint64_t source_image = mapping.SourceImage(virtual_image);
const std::string dataset = mapping.dataset.empty() ? "/entry/data/data" : mapping.dataset;
AppendOrExtendSourceMapping(ret, mapping.filename, dataset, source_image, local_image, 1);
found = true;
break;
}
if (!found)
throw JFJochException(JFJochExceptionCategory::HDF5,
"Image not covered by /entry/data/data VDS mappings");
}
return ret;
}
// Legacy source: link directly to the linked data files.
if (layout_.format == FileWriterFormat::NXmxLegacy) {
if (layout_.images_per_file == 0)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Cannot generate HDF5 source mapping: images_per_file is zero");
for (uint64_t local_image = 0; local_image < requested_count; ++local_image) {
const uint64_t source_global_image = first_image + local_image * stride;
const uint64_t file_id = source_global_image / layout_.images_per_file;
const uint64_t source_image = source_global_image % layout_.images_per_file;
if (file_id >= layout_.legacy_files.size())
throw JFJochException(JFJochExceptionCategory::HDF5,
"Legacy image source file missing");
AppendOrExtendSourceMapping(ret, layout_.legacy_files.at(file_id), "/entry/data/data",
source_image, local_image, 1);
}
return ret;
}
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Unsupported HDF5 file layout for source mapping");
}