Files
Jungfraujoch/reader/XTC.cpp
T
leonarski_fandClaude Opus 5.5 0a515bb086 rc179: everything on rc178 after its merge into main (#88), except the CHANGELOG
The rc178 branch continued after #88 was squash-merged; this is its content from b9ada7914 (the tree
#88 squashed) to 094eee31a, as one change on main. The individual commits stay on the rc178 branch:

- still battery: --cold evicts each set's input from the page cache; Alvra pixel masks; manifest fixes
- AGIPD: converter to one rigid panel per module, int16 photons, mask folded in; still battery reads the converted sets
- DetectorModules: panel look-up by id, plane -> panel, plane bounds and a per-pixel walk; mask size checked
- tests: [PanelLayout] equivalence harness, stacked vs assembled panel layout
- Dense per-pixel maps through the panel table (panel layout stage 1)
- Panel id on spots and the panel table in the start message
- Viewer and preview show a panel detector as it lies on the detector plane
- Panel layout stage 3: per-panel spot finding (CPU+GPU, CCL) and raster algorithms on the plane raster
- Panel layout stage 2: prediction and Bragg integration through the panel table
- XTC reader: frames handed up as stored, streams indexed in parallel
- XFEL reader: integer frames stay integer, one gain, placement by panel
- EXTERNAL_TEST_DATA_STILLS.md: images used vs the entry for every set; drop "Not in the battery"
- still battery: EuXFEL sets read the depositors' Cheetah CXI files directly; AGIPD converter removed
- float32_to_int16.py: a non-finite pixel becomes -32768, the int16 error marker, not a zero count
- CrystFEL geometry: read the pixel masks and bad regions instead of ignoring them
- Panel layout stage 5: the XFEL reader hands up the stored frame and its panel table
- Panel table persisted in NXmx; modulation grid and pre-scan memo key on the plane
- still battery: Alvra sets take their pixel mask from the CrystFEL geometry, not --mask-good
- still battery: take the deposited model as mmCIF where the RCSB has no PDB-format file
- still battery: dimple gets PDB-format coordinates converted from an mmCIF-only deposition
- stills fixed cost: geometry refinement and pre-scan do the same work in less wall time
- stills geometry sample and trial spot finding run as many workers as the image pass
- Stills integration: background ring reach measured on empty apertures, radial curvature from the whole frame
- StillsPartialityRefine: the partiality width is the run's, measured on the crystals, not the prediction window's
- MergeOnTheFly: capture term and multiplicative outlier band for the stills merge (both opt-in)
- Stills given a cell: the written cell is the mean over the frames that are merged
- Stills: the radial curvature correction decided per run on the same empty apertures
- StillsPartialityRefine: measure the run width only on shells with signal
- Stills pre-scan: report the paired z of the radial-correction comparison
- module placement: the five concurrent fits each keep every thread
- still battery: score R-free against the deposited data through the same dimple protocol
- still battery: the R-free target is the lower of the deposition's dimple and published values
- Stills: background clip follows the radial curve; signal disk from the lattice spacing
- Stills keep an overloaded observation as a lower bound instead of dropping it
- Stills: drop the lattice-spacing signal disk; the correction decision back on the plain clip
- battery: R-free against the deposition without refinement only, one protocol for rotation and stills
- still battery: EuXFEL sets run on a 2,000-image subset for now
- stills geometry refinement: fit the detector distance and the cell together
- stills geometry refinement: a distance given with --detector-distance is held in the joint fit
- Metal integration engine: back to its panel-s5 kernels; Mac stills keep the old clip, no saturation count
- Metal integration test: the CPU comparison runs on a rotation experiment
- Stills: kept overloads go back to the drop where they are not concentrated at low resolution
- stills distance search: an absolute 30-3000 mm scan, a sample found without d-limits, the fit iterated
- battery results: XFEL still battery 20261022-1358 on rc178 0cf62452c - 12 sets, cold, R_free unrefined
- battery results: still summary gains the resolution of our merge and of the deposition
- Pre-scan masks a pixel at the saturation limit on most frames, as one holding the error value
- Stills keep an overload as a lower bound only where it has pixels at the limit; run-level gate removed
- XFEL reader: a per-frame mask is read the way the frames are, its chunk inflated outside the HDF5 lock
- stills distance search: every centre scanned with a wider acceptance, a larger sample where nothing indexes
- rugnux usage: --beam-center-check describes the absolute 30-3000 mm stills distance scan, not the old 60-160 % grid
- stills: detector tilt refined in the geometry pre-pass, kept where held-out frames agree
- CLAUDE.md: the changelog is written once, just before the merge into main - condensed one-liners of what users get
- broker: serve the placed model and its maps of the last rugnux live run (/rugnux/model.cif, /rugnux/map.ccp4)
- frontend: Mol* viewer of the placed model and its density on the Rugnux live page
- writer: _model.cif from rugnux live keeps the input model's metadata, as the served model.cif does
- rugnux live maps: one unit cell centred on the model; the viewer opens on all of it
- Anomalous difference map: ANOM/PHANOM in _maps.mtz, /rugnux/map.ccp4?type=anom, a magenta mesh in the viewer
- Mol* viewer: open with the maps drawn within 10 A of the centre of view
- Mol* viewer: aaredb's structure-viewer setup, on a black stage
- rugnux: the gain of a stills file that states none is read off its single-photon peak where the background resolves photons
- Mol* viewer: in line with AareDB's StructureView at its current head (8ece2c2)
- ACKNOWLEDGEMENT: the web frontend's Mol* viewer follows AareDB's setup (G. Gotthard, PSI)
- stills tilt decision: the modules stay where the run placed them
- still battery: no distance pins and no per-set tuning flags; gain from the data except where a file's baseline hides it
- battery results: rc178 6f6f69 - full still battery and full rotation battery with REFMAC
- Bragg integration: a CCD rotation sweep's sigmas at the measured gain, intensities in photons
- BackgroundGain: the gain of a frame that resolves photons is the spacing of its photon peaks, so a baseline left in the frame no longer hides it
- ShadowFinder: measure the background's azimuthal modulation instead of predicting it from the polarization
- BackgroundGain: one gain estimate for rotation and stills; the still battery no longer gives EuXFEL 152 its gain
- ShadowFinder: measure the modulation robustly under a wide one-sided shadow
- ShadowFinderTest: a one-sided shadow is not fitted as part of the background's modulation
- ShadowFinder: back to the predicted polarization factor, in the plane the background shows
- MXAnalysisAfterFPGA: the Bragg engine's edge mask in the image's layout, so raw / untransformed FPGA runs start again
- battery results: still battery on rc178 e54f55 replaces the earlier rc178 still tables
- XFELReader: per-frame mask and photon conversion without a library call or a branch per pixel
- stills geometry trial: the hypotheses a search asks are indexed side by side
- stills tilt decision: the fits start beside the pre-scan and the geometry trial
- XFELReader: a deflated frame is inflated and converted a piece at a time, while it is in the cache
- XFELReader: a byte-shuffled frame is unshuffled a piece at a time, a whole pixel per step
- GeometryRefiner: residuals carry only the blocks a fit moves; beam and distance one block
- GeometryRefiner: a spot's residual differentiates its observed and predicted halves apart
- docs: EXTERNAL_TEST_DATA lists every open-arm battery set, with corrected values and counts
- battery: doc_check.py cross-checks the manifests against the dataset pages
- stills module placement: the placement fit gets half the threads, each held-out fit an eighth
- still battery: the EuXFEL sets run on all their frames, as the published still runs did
- battery results: still battery on rc178 a0ce6c, cold on a quiet machine, replaces the earlier rc178 table
- macOS build: explicit size_t in the XFEL reader's row bounds; parentheses in the CPU preprocessor's select

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
2026-10-23 17:56:42 +02:00

157 lines
6.3 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "XTC.h"
#include <algorithm>
#include <cstring>
#include <filesystem>
#include <fstream>
#include "../common/JFJochException.h"
namespace {
constexpr size_t DGRAM_HEADER = 40; // clock time 8, timestamp 8, env 4, Xtc header 20
constexpr size_t XTC_HEADER = 20;
constexpr size_t FRAME_HEADER = 16; // Camera::FrameV1: width, height, depth, offset
constexpr uint32_t ID_XTC = 1;
constexpr uint32_t ID_FRAME = 2;
constexpr uint32_t ID_EBEAM = 15;
constexpr uint32_t ID_RAYONIX_CONFIG = 73;
constexpr uint32_t TRANSITION_L1ACCEPT = 12;
constexpr uint32_t TRANSITION_LAST = 12;
constexpr size_t EBEAM_V7_SIZE = 4 + 20 * 8;
constexpr size_t EBEAM_V7_PHOTON_ENERGY = 4 + 17 * 8;
std::ifstream Open(const std::string &path) {
std::ifstream f(path, std::ios::binary);
if (!f)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Cannot open " + path);
return f;
}
bool ReadAt(std::ifstream &f, uint64_t pos, void *dst, size_t n) {
f.clear();
f.seekg(static_cast<std::streamoff>(pos));
f.read(static_cast<char *>(dst), static_cast<std::streamsize>(n));
return f.gcount() == static_cast<std::streamsize>(n);
}
uint32_t Word(const uint8_t *p, size_t i) {
uint32_t v;
std::memcpy(&v, p + 4 * i, 4);
return v;
}
// The transition a datagram header names, from the top bits of its timestamp's first word.
uint32_t Transition(const uint8_t *dgram) {
return (Word(dgram, 2) >> 24) & 0xf;
}
// A first datagram is a Configure with a container as its outermost Xtc, whose extent covers at
// least its own header.
bool PlausibleFirstDatagram(const uint8_t *h) {
return Transition(h) <= TRANSITION_LAST && (Word(h, 8) & 0xffff) == ID_XTC && Word(h, 9) >= XTC_HEADER;
}
// Walks the Xtcs in [begin, end) of the file, adding what it knows to index: images and the beam only
// from an event (an L1Accept), the configuration from any transition.
void Walk(std::ifstream &f, const std::string &file, uint64_t begin, uint64_t end, bool event, xtc::Index &index) {
uint64_t pos = begin;
while (pos + XTC_HEADER <= end) {
uint8_t h[XTC_HEADER];
if (!ReadAt(f, pos, h, XTC_HEADER))
return;
const uint32_t damage = Word(h, 0);
const uint64_t source = (static_cast<uint64_t>(Word(h, 1)) << 32) | Word(h, 2);
const uint32_t type = Word(h, 3) & 0xffff;
const uint32_t version = (Word(h, 3) >> 16) & 0x7fff;
const bool compressed = (Word(h, 3) >> 31) != 0;
const uint32_t extent = Word(h, 4);
if (extent < XTC_HEADER || pos + extent > end)
return;
const uint64_t payload = pos + XTC_HEADER, size = extent - XTC_HEADER;
if (type == ID_XTC)
Walk(f, file, payload, pos + extent, event, index);
else if (type == ID_FRAME && event) {
uint8_t fh[FRAME_HEADER];
if (size >= FRAME_HEADER && ReadAt(f, payload, fh, FRAME_HEADER)) {
const uint32_t width = Word(fh, 0), height = Word(fh, 1), depth = Word(fh, 2);
const uint64_t npixel = static_cast<uint64_t>(width) * height;
// Only a whole, undamaged 16-bit image of the version described above is read.
if (depth > 8 && depth <= 16 && npixel > 0) {
if (damage != 0 || compressed || version != 1 || FRAME_HEADER + 2 * npixel > size)
index.damaged++;
else
index.frames.push_back({file, payload + FRAME_HEADER, width, height, Word(fh, 3), source});
}
}
} else if (type == ID_EBEAM && event && version == 7 && !compressed && damage == 0 && size >= EBEAM_V7_SIZE) {
uint8_t eb[EBEAM_V7_SIZE];
double energy = 0;
if (ReadAt(f, payload, eb, EBEAM_V7_SIZE) && Word(eb, 0) == 0) {
std::memcpy(&energy, eb + EBEAM_V7_PHOTON_ENERGY, 8);
if (energy > 100.0 && energy < 100000.0)
index.photon_energy_eV.push_back(energy);
}
} else if (type == ID_RAYONIX_CONFIG && version == 2 && !compressed && size >= 2 && size < 4096) {
std::vector<uint8_t> cfg(size);
if (ReadAt(f, payload, cfg.data(), size)) {
index.rayonix_binning = cfg[0] == cfg[1] ? cfg[0] : 0;
const std::string text(cfg.begin(), cfg.end());
const auto mx = text.find("MX");
if (mx != std::string::npos)
index.rayonix_model = text.substr(mx, text.find('\0', mx) - mx);
}
}
pos += extent;
}
}
} // namespace
namespace xtc {
bool CanRead(const std::string &path) {
std::error_code ec;
if (!std::filesystem::is_regular_file(path, ec) || !path.ends_with(".xtc") || path.ends_with(".smd.xtc"))
return false;
std::ifstream f(path, std::ios::binary);
uint8_t h[DGRAM_HEADER];
return f && ReadAt(f, 0, h, DGRAM_HEADER) && PlausibleFirstDatagram(h);
}
Index IndexFile(const std::string &file) {
std::ifstream f = Open(file);
const uint64_t file_size = std::filesystem::file_size(file);
Index index;
uint64_t pos = 0;
uint8_t h[DGRAM_HEADER];
while (ReadAt(f, pos, h, DGRAM_HEADER)) {
const uint32_t extent = Word(h, 9);
if (extent < XTC_HEADER)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
file + ": a datagram's extent is shorter than its own header");
const uint64_t payload = pos + DGRAM_HEADER, end = pos + DGRAM_HEADER - XTC_HEADER + extent;
// A partly downloaded or partly written stream ends inside its last datagram.
if (end > file_size) {
index.truncated = true;
break;
}
Walk(f, file, payload, end, Transition(h) == TRANSITION_L1ACCEPT, index);
pos = end;
}
return index;
}
void ReadPixels(const Frame &frame, uint16_t *out) {
std::ifstream f = Open(frame.file);
if (!ReadAt(f, frame.offset, out, 2 * static_cast<size_t>(frame.width) * frame.height))
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
frame.file + ": an image ends past the end of the file");
}
} // namespace xtc