The rc178 branch continued after #88 was squash-merged; this is its content fromb9ada7914(the tree #88 squashed) to094eee31a, 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 rc1780cf62452c- 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
157 lines
6.3 KiB
C++
157 lines
6.3 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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#include "XTC.h"
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#include <algorithm>
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#include <cstring>
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#include <filesystem>
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#include <fstream>
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#include "../common/JFJochException.h"
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namespace {
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constexpr size_t DGRAM_HEADER = 40; // clock time 8, timestamp 8, env 4, Xtc header 20
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constexpr size_t XTC_HEADER = 20;
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constexpr size_t FRAME_HEADER = 16; // Camera::FrameV1: width, height, depth, offset
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constexpr uint32_t ID_XTC = 1;
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constexpr uint32_t ID_FRAME = 2;
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constexpr uint32_t ID_EBEAM = 15;
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constexpr uint32_t ID_RAYONIX_CONFIG = 73;
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constexpr uint32_t TRANSITION_L1ACCEPT = 12;
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constexpr uint32_t TRANSITION_LAST = 12;
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constexpr size_t EBEAM_V7_SIZE = 4 + 20 * 8;
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constexpr size_t EBEAM_V7_PHOTON_ENERGY = 4 + 17 * 8;
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std::ifstream Open(const std::string &path) {
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std::ifstream f(path, std::ios::binary);
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if (!f)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Cannot open " + path);
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return f;
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}
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bool ReadAt(std::ifstream &f, uint64_t pos, void *dst, size_t n) {
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f.clear();
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f.seekg(static_cast<std::streamoff>(pos));
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f.read(static_cast<char *>(dst), static_cast<std::streamsize>(n));
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return f.gcount() == static_cast<std::streamsize>(n);
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}
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uint32_t Word(const uint8_t *p, size_t i) {
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uint32_t v;
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std::memcpy(&v, p + 4 * i, 4);
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return v;
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}
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// The transition a datagram header names, from the top bits of its timestamp's first word.
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uint32_t Transition(const uint8_t *dgram) {
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return (Word(dgram, 2) >> 24) & 0xf;
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}
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// A first datagram is a Configure with a container as its outermost Xtc, whose extent covers at
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// least its own header.
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bool PlausibleFirstDatagram(const uint8_t *h) {
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return Transition(h) <= TRANSITION_LAST && (Word(h, 8) & 0xffff) == ID_XTC && Word(h, 9) >= XTC_HEADER;
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}
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// Walks the Xtcs in [begin, end) of the file, adding what it knows to index: images and the beam only
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// from an event (an L1Accept), the configuration from any transition.
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void Walk(std::ifstream &f, const std::string &file, uint64_t begin, uint64_t end, bool event, xtc::Index &index) {
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uint64_t pos = begin;
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while (pos + XTC_HEADER <= end) {
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uint8_t h[XTC_HEADER];
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if (!ReadAt(f, pos, h, XTC_HEADER))
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return;
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const uint32_t damage = Word(h, 0);
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const uint64_t source = (static_cast<uint64_t>(Word(h, 1)) << 32) | Word(h, 2);
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const uint32_t type = Word(h, 3) & 0xffff;
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const uint32_t version = (Word(h, 3) >> 16) & 0x7fff;
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const bool compressed = (Word(h, 3) >> 31) != 0;
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const uint32_t extent = Word(h, 4);
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if (extent < XTC_HEADER || pos + extent > end)
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return;
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const uint64_t payload = pos + XTC_HEADER, size = extent - XTC_HEADER;
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if (type == ID_XTC)
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Walk(f, file, payload, pos + extent, event, index);
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else if (type == ID_FRAME && event) {
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uint8_t fh[FRAME_HEADER];
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if (size >= FRAME_HEADER && ReadAt(f, payload, fh, FRAME_HEADER)) {
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const uint32_t width = Word(fh, 0), height = Word(fh, 1), depth = Word(fh, 2);
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const uint64_t npixel = static_cast<uint64_t>(width) * height;
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// Only a whole, undamaged 16-bit image of the version described above is read.
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if (depth > 8 && depth <= 16 && npixel > 0) {
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if (damage != 0 || compressed || version != 1 || FRAME_HEADER + 2 * npixel > size)
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index.damaged++;
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else
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index.frames.push_back({file, payload + FRAME_HEADER, width, height, Word(fh, 3), source});
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}
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}
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} else if (type == ID_EBEAM && event && version == 7 && !compressed && damage == 0 && size >= EBEAM_V7_SIZE) {
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uint8_t eb[EBEAM_V7_SIZE];
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double energy = 0;
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if (ReadAt(f, payload, eb, EBEAM_V7_SIZE) && Word(eb, 0) == 0) {
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std::memcpy(&energy, eb + EBEAM_V7_PHOTON_ENERGY, 8);
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if (energy > 100.0 && energy < 100000.0)
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index.photon_energy_eV.push_back(energy);
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}
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} else if (type == ID_RAYONIX_CONFIG && version == 2 && !compressed && size >= 2 && size < 4096) {
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std::vector<uint8_t> cfg(size);
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if (ReadAt(f, payload, cfg.data(), size)) {
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index.rayonix_binning = cfg[0] == cfg[1] ? cfg[0] : 0;
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const std::string text(cfg.begin(), cfg.end());
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const auto mx = text.find("MX");
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if (mx != std::string::npos)
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index.rayonix_model = text.substr(mx, text.find('\0', mx) - mx);
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}
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}
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pos += extent;
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}
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}
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} // namespace
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namespace xtc {
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bool CanRead(const std::string &path) {
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std::error_code ec;
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if (!std::filesystem::is_regular_file(path, ec) || !path.ends_with(".xtc") || path.ends_with(".smd.xtc"))
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return false;
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std::ifstream f(path, std::ios::binary);
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uint8_t h[DGRAM_HEADER];
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return f && ReadAt(f, 0, h, DGRAM_HEADER) && PlausibleFirstDatagram(h);
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}
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Index IndexFile(const std::string &file) {
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std::ifstream f = Open(file);
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const uint64_t file_size = std::filesystem::file_size(file);
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Index index;
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uint64_t pos = 0;
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uint8_t h[DGRAM_HEADER];
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while (ReadAt(f, pos, h, DGRAM_HEADER)) {
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const uint32_t extent = Word(h, 9);
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if (extent < XTC_HEADER)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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file + ": a datagram's extent is shorter than its own header");
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const uint64_t payload = pos + DGRAM_HEADER, end = pos + DGRAM_HEADER - XTC_HEADER + extent;
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// A partly downloaded or partly written stream ends inside its last datagram.
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if (end > file_size) {
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index.truncated = true;
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break;
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}
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Walk(f, file, payload, end, Transition(h) == TRANSITION_L1ACCEPT, index);
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pos = end;
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}
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return index;
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}
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void ReadPixels(const Frame &frame, uint16_t *out) {
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std::ifstream f = Open(frame.file);
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if (!ReadAt(f, frame.offset, out, 2 * static_cast<size_t>(frame.width) * frame.height))
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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frame.file + ": an image ends past the end of the file");
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}
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} // namespace xtc
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