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
166 lines
7.5 KiB
C++
166 lines
7.5 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 <catch2/matchers/catch_matchers_floating_point.hpp>
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#include <cmath>
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#include <random>
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#include "../image_analysis/bragg_integration/BackgroundGain.h"
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#include "../common/BraggIntegrationSettings.h"
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#include "../common/JFJochException.h"
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namespace {
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constexpr size_t W = 512, H = 512;
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// A smooth background of 100..2000 photons per pixel, read out as bias + gain * photons + read noise,
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// with a grid of bright 5x5 "Bragg" spots and a masked strip.
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std::vector<int32_t> Frame(double gain, uint32_t seed, std::vector<uint32_t> &mask) {
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std::mt19937 rng(seed);
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std::normal_distribution<double> read_noise(0.0, 3.0);
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std::vector<int32_t> img(W * H);
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mask.assign(W * H, 0);
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for (size_t y = 0; y < H; y++)
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for (size_t x = 0; x < W; x++) {
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const double photons = 100.0 + 1900.0 * (x + y) / static_cast<double>(W + H);
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std::poisson_distribution<int> p(photons);
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double v = (gain > 1.0 ? 20.0 : 0.0) + gain * p(rng) + (gain > 1.0 ? read_noise(rng) : 0.0);
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if (x % 32 >= 14 && x % 32 < 19 && y % 32 >= 14 && y % 32 < 19)
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v += 50.0 * gain * photons;
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img[y * W + x] = static_cast<int32_t>(std::lround(v));
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if (y >= 200 && y < 210)
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mask[y * W + x] = 1;
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}
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return img;
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}
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}
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TEST_CASE("BackgroundGain_CCD_gain4") {
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std::vector<background_gain::Levels> frames;
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std::vector<uint32_t> mask;
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for (uint32_t seed = 1; seed <= 3; seed++) {
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const auto img = Frame(4.0, seed, mask);
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frames.push_back(background_gain::MeasureFrame(img, W, H, mask, 1 << 30));
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}
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const auto g = background_gain::Gain(frames);
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REQUIRE(g.has_value());
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CHECK_THAT(*g, Catch::Matchers::WithinAbs(4.0, 0.25));
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}
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TEST_CASE("BackgroundGain_photon_counting") {
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std::vector<uint32_t> mask;
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const auto img = Frame(1.0, 7, mask);
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const auto g = background_gain::Gain({background_gain::MeasureFrame(img, W, H, mask, 1 << 30)});
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REQUIRE(g.has_value());
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CHECK_THAT(*g, Catch::Matchers::WithinAbs(1.0, 0.1));
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}
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TEST_CASE("BackgroundGain_saturated_and_empty") {
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std::vector<uint32_t> mask;
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const auto img = Frame(4.0, 11, mask);
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// Everything at or above the saturation limit: nothing to measure.
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CHECK_FALSE(background_gain::Gain({background_gain::MeasureFrame(img, W, H, mask, 1)}).has_value());
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CHECK_FALSE(background_gain::Gain({}).has_value());
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}
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TEST_CASE("BackgroundGain_settings") {
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BraggIntegrationSettings s;
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CHECK(s.GetBackgroundPixelGain() == 1.0f);
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s.BackgroundPixelGain(4.5f);
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CHECK(s.GetBackgroundPixelGain() == 4.5f);
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CHECK_THROWS_AS(s.BackgroundPixelGain(0.5f), JFJochException);
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}
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namespace {
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// A background of mean photons per pixel, each worth gain units, with Gaussian noise of sigma units, on a
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// baseline of pedestal units (0: subtracted); the value taken in steps of `step` (a float file of whole
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// numbers read at a fraction of its unit), over a number of frames.
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std::vector<uint64_t> PhotonHistogram(double gain, double sigma, uint32_t seed, double mean = 0.2,
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double pedestal = 0.0, int step = 1, int frames = 1) {
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std::mt19937 rng(seed);
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std::poisson_distribution<int> photons(mean);
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std::normal_distribution<double> noise(0.0, sigma);
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std::vector<int32_t> img(W * H);
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std::vector<uint64_t> histogram(background_gain::PEAK_HISTOGRAM_BINS, 0);
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for (int f = 0; f < frames; f++) {
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for (auto &v: img)
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v = step * static_cast<int32_t>(std::lround(pedestal + gain * photons(rng) + noise(rng)));
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background_gain::AddToHistogram(img, std::vector<uint32_t>(W * H, 0), 1 << 30, histogram);
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}
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return histogram;
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}
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}
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TEST_CASE("BackgroundGain_PhotonPeak") {
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// A photon of 4.57 keV in a file in keV, read at a sixteenth of a keV, 0.3 keV of noise.
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const auto g = background_gain::PhotonPeak(PhotonHistogram(4.57 * 16, 0.3 * 16, 1));
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REQUIRE(g.has_value());
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CHECK_THAT(g->gain / 16.0, Catch::Matchers::WithinAbs(4.57, 0.05));
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CHECK(g->pedestal == 0.0f);
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// Whole detector units, 12 per photon.
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const auto g12 = background_gain::PhotonPeak(PhotonHistogram(12.0, 1.0, 2));
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REQUIRE(g12.has_value());
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CHECK_THAT(g12->gain, Catch::Matchers::WithinAbs(12.0, 0.2));
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// Integer photon counts: the single photon is the first bin, no peak past the zero peak.
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CHECK_FALSE(background_gain::PhotonPeak(PhotonHistogram(1.0, 0.0, 3)).has_value());
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// 30 photons per pixel at 4 units each: one hump, with no second peak at twice its value.
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CHECK_FALSE(background_gain::PhotonPeak(PhotonHistogram(4.0, 3.0, 4, 30.0)).has_value());
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// A CCD's background (bias + gain * photons + read noise): a hump, not a pair of photon peaks.
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std::vector<uint32_t> mask;
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std::vector<uint64_t> ccd(background_gain::PEAK_HISTOGRAM_BINS, 0);
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background_gain::AddToHistogram(Frame(4.0, 5, mask), mask, 1 << 30, ccd);
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CHECK_FALSE(background_gain::PhotonPeak(ccd).has_value());
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// A CCD's pixels outside the active area, all at zero, and its background in two humps far above, the
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// second at twice the first: no photon peaks, as the zeros are a single bin with nothing beside it.
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std::vector<uint64_t> gap(background_gain::PEAK_HISTOGRAM_BINS, 0);
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gap[0] = 800000;
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for (size_t b = 1; b < gap.size(); b++)
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gap[b] = std::lround(200000.0 * std::exp(-0.5 * std::pow((b - 2600.0) / 300.0, 2))
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+ 20000.0 * std::exp(-0.5 * std::pow((b - 5200.0) / 300.0, 2)));
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CHECK_FALSE(background_gain::PhotonPeak(gap).has_value());
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}
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// A frame whose baseline was never subtracted: the zero-photon peak sits at 122 units, the photons 62 apart
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// with 14 units of noise - in whole units, and as a float file of whole numbers read at a sixteenth of its unit;
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// 16 frames, as the gain is measured on.
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TEST_CASE("BackgroundGain_PhotonPeak_Baseline") {
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const auto g = background_gain::PhotonPeak(PhotonHistogram(62.0, 14.0, 6, 0.3, 122.0, 1, 16));
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REQUIRE(g.has_value());
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CHECK_THAT(g->gain, Catch::Matchers::WithinAbs(62.0, 1.0));
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CHECK_THAT(g->pedestal, Catch::Matchers::WithinAbs(122.0, 1.0));
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const auto g16 = background_gain::PhotonPeak(PhotonHistogram(62.0, 14.0, 6, 0.3, 122.0, 16, 16));
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REQUIRE(g16.has_value());
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CHECK_THAT(g16->gain / 16.0, Catch::Matchers::WithinAbs(62.0, 1.0));
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CHECK_THAT(g16->pedestal / 16.0, Catch::Matchers::WithinAbs(122.0, 1.0));
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}
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// One estimate for every input in detector units: a CCD's frames show no photon peaks and read their variance per
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// unit mean, a background that resolves photons reads its peaks.
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TEST_CASE("BackgroundGain_Estimate") {
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std::vector<uint32_t> mask;
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const auto img = Frame(4.0, 21, mask);
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std::vector<uint64_t> ccd(background_gain::PEAK_HISTOGRAM_BINS, 0);
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background_gain::AddToHistogram(img, mask, 1 << 30, ccd);
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const auto g = background_gain::Estimate({background_gain::MeasureFrame(img, W, H, mask, 1 << 30)}, ccd);
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REQUIRE(g.has_value());
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CHECK_THAT(g->gain, Catch::Matchers::WithinAbs(4.0, 0.25));
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CHECK(g->pedestal == 0.0f);
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const auto peaks = background_gain::Estimate({}, PhotonHistogram(62.0, 14.0, 6, 0.3, 122.0, 1, 16));
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REQUIRE(peaks.has_value());
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CHECK_THAT(peaks->gain, Catch::Matchers::WithinAbs(62.0, 1.0));
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CHECK_FALSE(background_gain::Estimate({}, std::vector<uint64_t>(background_gain::PEAK_HISTOGRAM_BINS, 0)).has_value());
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}
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