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
171 lines
9.5 KiB
C++
171 lines
9.5 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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#pragma once
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#include "BraggIntegrationEngine.h"
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#include "BraggPassA.h"
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#include "BraggPassB.h"
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#include "../../common/PixelMask.h"
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class CompressedImage;
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// Plain-C++ reference/fallback engine: a faithful serial re-expression of BraggIntegrate2D (box
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// sum) and ProfileIntegrate2D (Kabsch profile fit) reading the preprocessed int32 image. Also the
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// numeric oracle the CUDA engine is checked against, and the engine the Metal engine extends.
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class BraggIntegrationEngineCPU : public BraggIntegrationEngine {
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// Core integrator, templated on a pixel sampler so it reads either the preprocessed int32 buffer
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// or a raw CompressedImage of any pixel type - both presented per-pixel in the INT32_MIN(masked)/
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// INT32_MAX(saturated) convention - without ever materialising a second full-image copy.
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// Full-frame scratch of RunImpl: the reflection mask and the signal-region owner map. A call writes
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// only around its reflections, so these keep only the 16x16-pixel tiles written since the last
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// Clear(): a frame-sized array was mostly never read, yet over a sweep every page of it got
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// touched, in every worker. Reading a tile nothing wrote gives `empty`.
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template <class T>
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class TiledFrame {
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static constexpr int TILE = 16;
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int tiles_x;
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T empty;
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std::vector<int32_t> tile_start; // per tile: where it starts in `pixels`, -1 = not written
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std::vector<int32_t> written; // the tiles written, for Clear()
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std::vector<T> pixels;
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public:
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TiledFrame(int width, int height, T empty)
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: tiles_x((width + TILE - 1) / TILE), empty(empty),
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tile_start(static_cast<size_t>(tiles_x) * ((height + TILE - 1) / TILE), -1) {}
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T Get(int x, int y) const {
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const int32_t start = tile_start[(y / TILE) * tiles_x + x / TILE];
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return start < 0 ? empty : pixels[start + (y % TILE) * TILE + x % TILE];
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}
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T &At(int x, int y) {
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const int t = (y / TILE) * tiles_x + x / TILE;
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if (tile_start[t] < 0) {
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tile_start[t] = static_cast<int32_t>(pixels.size());
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pixels.resize(pixels.size() + TILE * TILE, empty);
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written.push_back(t);
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}
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return pixels[tile_start[t] + (y % TILE) * TILE + x % TILE];
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}
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void Clear() {
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for (int t : written)
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tile_start[t] = -1;
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written.clear();
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pixels.clear();
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}
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};
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TiledFrame<uint8_t> refl_mask;
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TiledFrame<uint32_t> owner;
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// Marks every predicted reflection's r2 region in refl_mask (MASK_FLUX / MASK_TAIL), on its own panel,
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// visiting them in `order` (any order gives the same mask).
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void MarkNeighbours(const std::vector<Reflection> &predicted, const std::vector<BraggPanel> &panels,
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const std::vector<uint32_t> &order);
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template <class Sampler>
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std::vector<Reflection> RunImpl(const Sampler &img, const std::vector<Reflection> &predicted,
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size_t npredicted, int64_t image_number);
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// Pass B's single-precision part for reflection i, as the Metal engine's kernel does it: the profile
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// (the shell's learned one, or the Gaussian, built in `cells`), how much of it is readable, and the
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// fit. fit_pixels is scratch: the pixels the fit reads, gathered once.
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struct FitPixel { float Pp, signal; };
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template <class Sampler, class OwnerMap>
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BraggFitOut FitProfile(const Sampler &img, const OwnerMap &owner_map, const BraggFitSetup &s,
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const BraggPanel &pn, size_t i,
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const std::vector<float> &shell_profiles, std::vector<float> &cells,
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std::vector<FitPixel> &fit_pixels) const;
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// Whether enough of a reflection's profile is readable, and its own, for the fit to be kept.
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bool FitKept(const BraggFitOut &o) const;
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protected:
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// The run's pixel mask, packed 32 pixels to a word (PixelMask::GetPackedMask). An unreadable pixel
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// it does not explain was unreadable on this frame only - an overload (see Reflection::overloaded).
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std::vector<uint32_t> static_mask;
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// Identity sampler over the preprocessed int32 buffer (already in the engine's convention).
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struct BufferSampler {
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const int32_t *p;
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int32_t operator[](size_t i) const { return p[i]; }
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const void *address(size_t i) const { return p + i; }
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};
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// The owner map as one frame-sized array, as the Metal engine builds it (TiledFrame's Get otherwise).
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struct FlatOwnerMap {
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const uint32_t *p;
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size_t width;
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uint32_t Get(int x, int y) const { return p[static_cast<size_t>(y) * width + x]; }
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};
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// Pass A's result for one reflection: the box sum, its background, centroid and strong flag.
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struct Rough {
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double I = 0.0, sigma = NAN, bkg = 0.0, obs_x = 0.0, obs_y = 0.0;
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double bkg_var = 0.0; // variance of the background ESTIMATE itself, bkg / n_bkg
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double var_bkg = 0.0; // total non-signal variance carried to the merge
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int64_t I_sum = 0; // kept so I can be rebuilt after the radial background correction
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int n_inner = 0;
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int n_disk = 0, n_own = 0; // signal-disk pixels, and how many of them are this reflection's
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int r_bin = 0; // rounded distance from the beam centre, indexes the radial curve
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int k_bin = 0; // which radial-background kernel this reflection's stencil needs
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int cx = 0, cy = 0, shell = -1;
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bool ok = false, strong = false, has_obs = false;
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bool full = false; // every pixel of the signal disk was readable
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bool overloaded = false; // a pixel of the signal disk was saturated
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int saturated = 0; // signal-disk pixels at the saturation limit
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};
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// Everything pass A hands the profile passes.
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struct PassA {
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std::vector<Rough> rough;
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// Radial background curve, accumulated from the ring pixels the background clip keeps. Integer
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// sums, so the order the pixels arrive in does not matter.
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int n_rad = 0;
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std::vector<int64_t> rad_sum;
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std::vector<int> rad_cnt;
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double inv_d2_min = 0.0, inv_d2_max = 0.0; // resolution range of the complete reflections
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};
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PassA StartPassA(size_t npredicted) const;
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// Whether pass A sigma-clips this reflection's background ring, and the clip threshold: the ring
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// pixels at or below it are kept. A pixel value is an integer, so the threshold is one too.
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bool ClipsRing(const BraggBoxSums &s) const;
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int32_t ClipThreshold(const BraggBoxSums &s) const;
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// Pass A's result for reflection i from what its box walk counted, and from its clip sums where
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// ClipsRing. bkg_vals holds the ring pixels for the trimmed-mean background, and is sorted here.
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void FinishPassA(PassA &a, size_t i, const Reflection &r, const BraggStencil &st, const BraggBoxSums &s,
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const BraggClipSums &clip, std::vector<int32_t> &bkg_vals);
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// Everything after pass A: the radial background correction, then either the box-sum results or
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// the profile learning and pass B. Defined for BufferSampler with either owner map, and for the
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// CompressedImage samplers with the tiled one.
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// Pass B's single-precision part for every reflection with setups[i].fit, on a device - the
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// learned profiles side by side in shell_profiles, empty for the Gaussian. False where there is no
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// device, and the CPU fits them instead.
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virtual bool FitOnDevice(const std::vector<BraggFitSetup> &setups, const std::vector<float> &shell_profiles,
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std::vector<BraggFitOut> &fits) { return false; }
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template <class Sampler, class OwnerMap>
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std::vector<Reflection> ProfilePasses(const Sampler &img, const OwnerMap &owner_map,
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const std::vector<Reflection> &predicted, size_t npredicted,
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const std::vector<BraggPanel> &panels, PassA &a,
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int64_t image_number);
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public:
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BraggIntegrationEngineCPU(const DiffractionExperiment &experiment, const PixelMask &mask);
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using BraggIntegrationEngine::Run; // keep the preprocessed-buffer overload visible
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std::vector<Reflection> Run(const ImagePreprocessorBuffer &image,
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const std::vector<Reflection> &predicted, size_t npredicted,
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int64_t image_number) override;
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// Only the neighbour count of these predicted reflections at this engine's stencil
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// (BraggIntegrationCounts::predicted and bkg_starved_by_neighbour), reading no image: what a pass
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// integrating at one radius measures of another. A ring pixel counts as readable unless the run's
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// mask excludes it, so an overload on one frame is read as readable here.
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void CountNeighbourCrowding(const std::vector<Reflection> &predicted, size_t npredicted);
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// FPGA workflow: integrate straight off the assembled detector image, reading only the pixels
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// inside each reflection disk (no whole-image conversion - the FPGA host cannot afford one at its
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// frame rate). Masked pixels carry the type minimum and saturated the type maximum.
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std::vector<Reflection> Run(const CompressedImage &image,
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const std::vector<Reflection> &predicted, size_t npredicted,
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int64_t image_number);
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};
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