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
173 lines
6.5 KiB
C++
173 lines
6.5 KiB
C++
// SPDX-FileCopyrightText: 2024 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 "MXAnalysisAfterFPGA.h"
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#include <span>
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#include "spot_finding/DetModuleSpotFinder_cpu.h"
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#include "../common/CUDAWrapper.h"
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#include "../common/JFJochException.h"
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#include "spot_finding/SpotUtils.h"
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#include "bragg_prediction/BraggPredictionFactory.h"
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double stddev(const std::vector<float> &v) {
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if (v.size() <= 1)
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return 0.0;
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double mean = 0.0f;
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for (const auto &i: v)
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mean += i;
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mean /= v.size();
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double stddev = 0.0f;
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for (const auto &i: v)
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stddev += (i - mean) * (i - mean);
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return sqrt(stddev / (v.size() - 1));
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}
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MXAnalysisAfterFPGA::MXAnalysisAfterFPGA(const DiffractionExperiment &in_experiment,
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const AzimuthalIntegrationMapping &in_integration,
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IndexAndRefine &indexer)
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: experiment(in_experiment),
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integration(in_integration),
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indexer(indexer),
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prediction(CreateBraggPrediction(experiment.IsRotationIndexing())),
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// No pixel mask reaches this path: the FPGA image marks its own masked pixels, so only a
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// saturated pixel is read as an overload here. The edge mask is taken in the image's own layout,
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// which is the raw one when the geometry is not transformed.
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bragg_engine(std::make_unique<BraggIntegrationEngineCPU>(
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in_experiment, PixelMask(PixelMask(in_experiment).GetMask(in_experiment)))) {
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if (experiment.IsSpotFindingEnabled())
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find_spots = true;
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if (experiment.GetAzimuthalIntegrationSettings().IsForceCPUinFPGAWorkflow())
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cpu_azint = std::make_unique<AzIntEngineCPU>(integration);
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}
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void MXAnalysisAfterFPGA::RunAzimuthalIntegration(const void *image, AzimuthalIntegrationProfile &profile) {
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if (!cpu_azint)
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return;
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const size_t npixel = experiment.GetPixelsNum();
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auto run = [&](auto tag) {
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using pixel_t = decltype(tag);
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cpu_azint->RunAzint(std::span<const pixel_t>(static_cast<const pixel_t *>(image), npixel), profile);
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};
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switch (experiment.GetByteDepthImage()) {
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case 1:
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experiment.IsPixelSigned() ? run(int8_t{}) : run(uint8_t{});
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break;
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case 2:
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experiment.IsPixelSigned() ? run(int16_t{}) : run(uint16_t{});
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break;
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case 4:
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experiment.IsPixelSigned() ? run(int32_t{}) : run(uint32_t{});
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break;
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default:
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Pixel depth unsupported");
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}
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}
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void MXAnalysisAfterFPGA::ReadFromFPGA(const DeviceOutput *output, const SpotFindingSettings &settings, size_t module_number) {
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if (state == State::Disabled || !find_spots || !settings.enable) {
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state = State::Disabled;
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} else {
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const auto t0 = std::chrono::steady_clock::now();
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StrongPixelSet strong_pixel_set;
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strong_pixel_set.ReadFPGAOutput(experiment, *output);
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strong_pixel_set.FindSpots(experiment, settings, spots, module_number);
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const auto t1 = std::chrono::steady_clock::now();
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spot_finding_time_total += (t1 - t0);
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spot_finding_timing_active = true;
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state = State::Enabled;
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}
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}
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void MXAnalysisAfterFPGA::ReadFromCPU(DeviceOutput *output, const SpotFindingSettings &settings, size_t module_number) {
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std::unique_lock ul(read_from_cpu_mutex);
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if (state == State::Disabled || !find_spots || !settings.enable) {
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state = State::Disabled;
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} else {
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const auto t0 = std::chrono::steady_clock::now();
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state = State::Enabled;
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std::vector<float> d_map(RAW_MODULE_SIZE);
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experiment.CalcSpotFinderResolutionMap(d_map.data(), module_number);
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arr_mean.resize(RAW_MODULE_SIZE);
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arr_sttdev.resize(RAW_MODULE_SIZE);
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arr_valid_count.resize(RAW_MODULE_SIZE);
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arr_strong_pixel.resize(RAW_MODULE_SIZE);
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if (experiment.GetByteDepthImage() == 2)
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FindSpots(*output,
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settings,
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d_map.data(),
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arr_mean.data(),
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arr_sttdev.data(),
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arr_valid_count.data(),
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arr_strong_pixel.data());
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else if (experiment.GetByteDepthImage() == 4)
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FindSpots<int32_t>(*output,
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settings,
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d_map.data(),
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arr_mean.data(),
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arr_sttdev.data(),
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arr_valid_count.data(),
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arr_strong_pixel.data());
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else if (experiment.GetByteDepthImage() == 1)
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FindSpots<int8_t>(*output,
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settings,
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d_map.data(),
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arr_mean.data(),
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arr_sttdev.data(),
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arr_valid_count.data(),
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arr_strong_pixel.data());
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StrongPixelSet strong_pixel_set;
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strong_pixel_set.ReadFPGAOutput(experiment, *output);
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strong_pixel_set.FindSpots(experiment, settings, spots, module_number);
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const auto t1 = std::chrono::steady_clock::now();
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spot_finding_time_total += (t1 - t0);
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spot_finding_timing_active = true;
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}
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}
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void MXAnalysisAfterFPGA::Process(DataMessage &message, const SpotFindingSettings& spot_finding_settings) {
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if (find_spots && (state == State::Enabled)) {
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const auto t0 = std::chrono::steady_clock::now();
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SpotAnalyze(experiment, spot_finding_settings, spots, message);
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const auto t1 = std::chrono::steady_clock::now();
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spot_finding_time_total += (t1 - t0);
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if (spot_finding_settings.indexing)
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indexer.ProcessImage(message, spot_finding_settings, *prediction,
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[this, &message](const std::vector<Reflection> &predicted, size_t npredicted, int64_t image_number) {
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return bragg_engine->Run(message.image, predicted, npredicted, image_number);
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});
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}
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if (spot_finding_timing_active) {
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// total spot-finding time for the whole image
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message.spot_finding_time_s = spot_finding_time_total.count() / 1e6;
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// report/store ms here
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spot_finding_time_total = std::chrono::duration<double, std::micro>{0.0};
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spot_finding_timing_active = false;
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}
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spots.clear();
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state = State::Idle;
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}
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