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
119 lines
5.2 KiB
C++
119 lines
5.2 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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#include <catch2/catch_test_macros.hpp>
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#include <cmath>
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#include <random>
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#include "../image_analysis/bragg_integration/BackgroundAperture.h"
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#include "../common/JFJochMath.h"
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namespace {
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constexpr int W = 600, H = 600;
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// A background of `level` counts a pixel with Poisson noise, modulated by `ripple` (relative) with a
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// period of 20 px along x - the structure a ring further from the disk reads wrong.
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ImagePreprocessorBuffer Frame(double level, double ripple, uint32_t seed) {
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std::mt19937 rng(seed);
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ImagePreprocessorBuffer img(static_cast<size_t>(W) * H);
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for (int y = 0; y < H; y++)
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for (int x = 0; x < W; x++) {
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std::poisson_distribution<int> p(level * (1.0 + ripple * std::sin(2.0 * PI * x / 20.0)));
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img[static_cast<size_t>(y) * W + x] = p(rng);
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}
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return img;
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}
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const RingBackground no_rings({}, 0, 0.0f, 0.0f);
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DiffractionGeometry Geometry() {
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DiffractionGeometry g;
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g.BeamX_pxl(300.0f).BeamY_pxl(300.0f).DetectorDistance_mm(60.0f).PixelSize_mm(0.075f).Wavelength_A(1.0f);
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return g;
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}
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int BestR3(double level, double ripple) {
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const auto r3 = background_aperture::CandidateR3(8.0f, 14.0f);
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background_aperture::Tally tally;
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for (uint32_t seed = 1; seed <= 4; seed++) {
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auto img = Frame(level, ripple, seed);
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background_aperture::MeasureFrame(img, W, H, {}, 6.0f, 8.0f, r3, 4.0f, 1.0f, no_rings, Geometry(),
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DetectorModules(), tally);
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}
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REQUIRE(tally.apertures > 100);
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CHECK(tally.apertures_radial == 0);
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return static_cast<int>(r3[background_aperture::Best(tally.MeanSquare(false))]);
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}
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} // namespace
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TEST_CASE("BackgroundAperture_CandidateR3", "[Integration]") {
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const auto r3 = background_aperture::CandidateR3(8.0f, 14.0f);
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REQUIRE(r3.size() == 5);
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CHECK(r3.front() == 10.0f);
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CHECK(r3.back() == 14.0f);
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}
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// A few counts a pixel on a flat background: the noise wins, and the widest ring is kept.
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TEST_CASE("BackgroundAperture_FlatNoisyKeepsWidestRing", "[Integration]") {
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CHECK(BestR3(0.5, 0.0) == 14);
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}
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// Thousands of counts a pixel on a background that varies over the stencil's own scale: the structure
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// wins, and the narrowest ring is kept.
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TEST_CASE("BackgroundAperture_StructuredBrightTakesNarrowestRing", "[Integration]") {
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CHECK(BestR3(2000.0, 0.05) == 10);
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}
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// An aperture over an unreadable pixel is not used.
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TEST_CASE("BackgroundAperture_SkipsUnreadablePixels", "[Integration]") {
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const auto r3 = background_aperture::CandidateR3(8.0f, 14.0f);
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auto img = Frame(1.0, 0.0, 7);
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background_aperture::Tally all;
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background_aperture::MeasureFrame(img, W, H, {}, 6.0f, 8.0f, r3, 4.0f, 1.0f, no_rings, Geometry(),
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DetectorModules(), all);
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for (size_t i = 0; i < static_cast<size_t>(W) * H; i += 97)
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img[i] = INT32_MIN;
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background_aperture::Tally masked;
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background_aperture::MeasureFrame(img, W, H, {}, 6.0f, 8.0f, r3, 4.0f, 1.0f, no_rings, Geometry(),
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DetectorModules(), masked);
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CHECK(masked.apertures == 0);
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CHECK(all.apertures > 0);
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}
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// A bright background that is a curved function of the radius alone: the radial correction, read off
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// the frame's ring background, makes the ring predict the disk better than it does without it.
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TEST_CASE("BackgroundAperture_RadialCorrectionHelpsOnARadialBackground", "[Integration]") {
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const DiffractionGeometry g = Geometry();
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const auto background = [](double r) { return 2000.0 + 0.2 * (r - 150.0) * (r - 150.0); };
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std::mt19937 rng(3);
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ImagePreprocessorBuffer img(static_cast<size_t>(W) * H);
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for (int y = 0; y < H; y++)
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for (int x = 0; x < W; x++) {
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std::poisson_distribution<int> p(background(std::hypot(x - 300.0, y - 300.0)));
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img[static_cast<size_t>(y) * W + x] = p(rng);
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}
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const float low_q = 0.05f, dq = 0.005f;
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std::vector<float> profile(1000);
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for (size_t i = 0; i < profile.size(); i++) {
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const double q = low_q + (i + 0.5) * dq;
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const double r = 60.0 / 0.075 * std::tan(2.0 * std::asin(q * 1.0 / (4.0 * PI)));
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profile[i] = static_cast<float>(background(r));
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}
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const RingBackground rings(profile, static_cast<int32_t>(profile.size()), low_q, dq);
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const auto r3 = background_aperture::CandidateR3(8.0f, 14.0f);
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background_aperture::Tally tally;
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// Unclipped: a gradient this steep would put the high side of the ring above a photon clip.
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background_aperture::MeasureFrame(img, W, H, {}, 6.0f, 8.0f, r3, 0.0f, 1.0f, rings, g, DetectorModules(), tally);
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REQUIRE(tally.apertures_radial == tally.apertures);
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REQUIRE(tally.apertures > 100);
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const auto plain = tally.MeanSquare(false), radial = tally.MeanSquare(true);
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// The pre-scan's question: at the ring the plain differences choose, does the correction help.
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const int best = background_aperture::Best(plain);
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CHECK(radial[best] < 0.8 * plain[best]);
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// With the curvature taken out, the noise wins again and a wide ring is best.
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CHECK(r3[background_aperture::Best(radial)] >= 12.0f);
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}
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