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
182 lines
7.2 KiB
C++
182 lines
7.2 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 "BackgroundAperture.h"
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#include <algorithm>
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#include <cmath>
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#include "../../common/JFJochMath.h"
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std::vector<float> background_aperture::CandidateR3(float r2, float max_r3) {
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std::vector<float> out;
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for (float r3 = r2 + 2.0f; r3 <= max_r3 + 1e-3f; r3 += 1.0f)
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out.push_back(r3);
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return out;
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}
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void background_aperture::MeasureFrame(ImagePreprocessorBuffer &image, int width, int height,
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const std::vector<DiffractionSpot> &spots, float r1, float r2,
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const std::vector<float> &r3, float clip_nsigma, float gain,
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const RingBackground &rings, const DiffractionGeometry &geometry,
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const DetectorModules &modules, Tally &tally) {
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if (r3.empty())
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return;
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tally.sum_d2.resize(r3.size(), 0.0);
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tally.sum_d2_radial.resize(r3.size(), 0.0);
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tally.sum_dd2.resize(r3.size(), 0.0);
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const float r_max = r3.back();
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const int half = static_cast<int>(std::ceil(r_max));
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const int side = 2 * half + 1;
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// A grid of centres, at least one aperture apart, kept clear of every found spot.
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const double area = static_cast<double>(width) * height;
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const int step = std::max(side, static_cast<int>(std::ceil(std::sqrt(area / MAX_APERTURES_PER_FRAME))));
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const float clear = r_max + SPOT_CLEARANCE_PX;
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std::vector<int32_t> cx, cy;
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for (int y = half; y + half < height; y += step)
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for (int x = half; x + half < width; x += step) {
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bool near_spot = false;
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for (const auto &s : spots) {
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const Coord c = s.RawCoord();
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if ((c.x - x) * (c.x - x) + (c.y - y) * (c.y - y) < clear * clear) {
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near_spot = true;
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break;
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}
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}
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if (!near_spot) {
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cx.push_back(x);
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cy.push_back(y);
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}
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}
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if (cx.empty())
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return;
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const int32_t *tiles = image.GatherTiles(cx, cy, width, half);
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struct Pixel {
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int32_t v;
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float d2; // squared distance from the aperture centre
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double b; // the ring background at this pixel's resolution
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};
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std::vector<Pixel> disk, ring;
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for (size_t a = 0; a < cx.size(); ++a) {
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const int32_t *t = tiles + a * static_cast<size_t>(side) * side;
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const int64_t panel = modules.ModuleOfImagePixel(cx[a], cy[a]);
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bool readable = true;
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disk.clear();
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ring.clear();
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for (int dy = -half; dy <= half && readable; ++dy)
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for (int dx = -half; dx <= half; ++dx) {
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const float d2 = static_cast<float>(dx * dx + dy * dy);
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if (d2 >= r_max * r_max || (d2 >= r1 * r1 && d2 < r2 * r2))
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continue;
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const int32_t v = t[(dy + half) * side + dx + half];
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if (v == INT32_MIN || v == INT32_MAX) {
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readable = false;
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break;
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}
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double b = 0.0;
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if (!rings.empty()) {
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const auto [px, py] = modules.ImageToPlane(panel, cx[a] + dx, cy[a] + dy);
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b = rings.At(2.0 * PI / geometry.PxlToRes(static_cast<float>(px), static_cast<float>(py)));
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}
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(d2 < r1 * r1 ? disk : ring).push_back({v, d2, b});
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}
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if (!readable || disk.empty())
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continue;
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double disk_v = 0.0, disk_b = 0.0;
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for (const auto &p : disk) {
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disk_v += p.v;
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disk_b += p.b;
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}
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disk_v /= static_cast<double>(disk.size());
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disk_b /= static_cast<double>(disk.size());
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// Every candidate ring as the integrator reads it: the mean, then one high-side clip pass. The
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// radial correction is taken over the ring's geometry, as the integrator's kernel is.
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std::vector<double> d_plain(r3.size()), d_radial(r3.size());
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bool measured = true;
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for (size_t k = 0; k < r3.size() && measured; ++k) {
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const float r3_sq = r3[k] * r3[k];
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double sum = 0.0, sum_b = 0.0;
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int n = 0;
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for (const auto &p : ring)
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if (p.d2 < r3_sq) {
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sum += p.v;
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sum_b += p.b;
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++n;
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}
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if (n == 0) {
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measured = false;
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break;
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}
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const double mean = sum / n;
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const double thr = mean + clip_nsigma * std::sqrt(gain * std::max(mean, 1.0));
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double kept = 0.0;
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int n_kept = 0;
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for (const auto &p : ring)
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if (p.d2 < r3_sq && (clip_nsigma <= 0.0f || p.v <= thr)) {
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kept += p.v;
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++n_kept;
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}
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measured = n_kept > 0;
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if (measured) {
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d_plain[k] = disk_v - kept / n_kept;
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d_radial[k] = d_plain[k] - (disk_b - sum_b / n);
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}
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}
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if (!measured)
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continue;
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for (size_t k = 0; k < r3.size(); ++k) {
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tally.sum_d2[k] += d_plain[k] * d_plain[k];
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if (!rings.empty()) {
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tally.sum_d2_radial[k] += d_radial[k] * d_radial[k];
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const double dd = d_radial[k] * d_radial[k] - d_plain[k] * d_plain[k];
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tally.sum_dd2[k] += dd * dd;
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}
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}
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++tally.apertures;
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if (!rings.empty())
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++tally.apertures_radial;
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}
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}
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void background_aperture::Tally::Add(const Tally &other) {
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sum_d2.resize(std::max(sum_d2.size(), other.sum_d2.size()), 0.0);
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sum_d2_radial.resize(std::max(sum_d2_radial.size(), other.sum_d2_radial.size()), 0.0);
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for (size_t k = 0; k < other.sum_d2.size(); ++k)
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sum_d2[k] += other.sum_d2[k];
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for (size_t k = 0; k < other.sum_d2_radial.size(); ++k)
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sum_d2_radial[k] += other.sum_d2_radial[k];
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sum_dd2.resize(std::max(sum_dd2.size(), other.sum_dd2.size()), 0.0);
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for (size_t k = 0; k < other.sum_dd2.size(); ++k)
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sum_dd2[k] += other.sum_dd2[k];
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apertures += other.apertures;
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apertures_radial += other.apertures_radial;
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}
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std::vector<double> background_aperture::Tally::MeanSquare(bool radial) const {
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const size_t n = radial ? apertures_radial : apertures;
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std::vector<double> out;
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if (n == 0)
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return out;
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for (const double v : radial ? sum_d2_radial : sum_d2)
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out.push_back(v / static_cast<double>(n));
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return out;
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}
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double background_aperture::Tally::RadialZ(size_t k) const {
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if (apertures_radial < 2 || apertures_radial != apertures || k >= sum_dd2.size())
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return 0.0;
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const double n = static_cast<double>(apertures_radial);
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const double mean = (sum_d2_radial[k] - sum_d2[k]) / n;
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const double var = std::max(sum_dd2[k] / n - mean * mean, 0.0);
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return var > 0.0 ? -mean / std::sqrt(var / n) : 0.0;
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}
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int background_aperture::Best(const std::vector<double> &mean_square) {
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if (mean_square.empty())
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return -1;
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return static_cast<int>(std::min_element(mean_square.begin(), mean_square.end()) - mean_square.begin());
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}
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