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**Files written by Jungfraujoch now import correctly in DIALS, XDS and pyFAI.** A tilted detector, a grid scan, a still recorded at a goniometer position, and saturated or unreadable pixels were each described in a way that a third-party program acted on wrongly. If you process Jungfraujoch data outside Jungfraujoch, prefer this release to any earlier one. * HDF5: the detector tilt (`rot1`/`rot2`/`rot3`) is exported correctly in the NXmx transformation chain; untilted geometries are unaffected. * HDF5: a still recorded at a goniometer position is no longer read back as a single image, and a grid scan records a stationary spindle so a program that requires a rotation axis can open it. * HDF5: the sample transformation chain is written in mounting order, with a Smargon head position told apart from the spindle, one entry per image, `module_offset` as a float unit vector, and `offset_units` on every offset. * HDF5: saturated, underloaded and unreadable pixels are described so a downstream program masks them - `saturation_value`, `underload_value`, `error_value` and `bit_depth_readout` are written correctly, and a data file missing next to a VDS master reads as the error marker rather than as zero counts. * HDF5: the rotation axis is read back under whatever name it carries, and `mirror_y` records whether the assembled image is mirrored in Y relative to the detector's raw readout. * A grid scan and a goniometer axis can both be set; they are no longer alternatives. * `images_per_file` is chosen from the acquisition when it is not given: a rotation sweep of at most 20000 images goes into a single data file, a grid scan splits on whole fast-axis rows, and stills and serial keep 1000. * The writer refuses a stream whose start message declares a different pixel format than its images carry, and a DECTRIS detector sending signed images is no longer declared unsigned. * The image stream can carry the sample transformation chain (`transformations`, in the END message); a producer that does not send it gets the same chain built by the writer. * rugnux: fixing the space group with `-S` no longer prevents the lattice from being found - a lattice indexed in a different setting is reindexed into that group's own setting, and a run whose crystal does not have that group's lattice stops and names the cell it indexed as, rather than reporting statistics that cannot describe it. * rugnux: the per-image resolution estimate now predicts the resolution the merged data reach rather than the highest-resolution spot found, and is reported as `SPOT_RESOLUTION_ESTIMATE`. * rugnux: two runs of the same command on the same images produce the same merged intensities; the azimuthal profile written alongside them is not yet reproducible in the same way. * rugnux: the offline lattice refinement is bounded by iterations rather than by a wall clock, so a loaded machine can no longer refine to a different lattice; a live acquisition keeps its real-time bound. * rugnux: the detector-frame modulation correction is fitted on a grid spanning the detector, so whether it is applied no longer depends on how far integration reached. * rugnux: the geometry pre-pass no longer writes `<prefix>_01.mtz`, `_01.cif`, `_01.hkl` and `_01_image.dat`; the refined second pass writes those files under `<prefix>`, and that is the result to use. * rugnux: `_process.h5` describes the pixel format of the images it links to, and is written on a thread of its own. * rugnux: the detector geometry is also logged in XDS's convention (`ORGX`/`ORGY`, detector axis vectors, rotation axis), so it can be compared with an XDS refinement. * rugnux: an image integrated in pyFAI through the `.poni` file written by `--mode calibration` comes out with the correct azimuth, and the file declares pyFAI's `orientation`, which needs pyFAI 2024.01 or newer. Radial integration is unchanged. * rugnux: a rotation run is substantially faster throughout - beam-stop detection, first-pass indexing, geometry refinement, integration, scaling and merging - and observations outside the scaling resolution range are dropped as they are ingested. The refined geometry, the space group chosen and the merged statistics are unchanged. * Faster spot finding and indexing, on the broker as well as in rugnux; the spots found and the lattices indexed are unchanged. * A run reserves substantially less GPU memory: nothing is allocated for buffers that are never read, and a worker builds only the engines it uses. * rugnux: with `-N` left at its default the per-image loop of `--mode mx` uses at most 16 workers per GPU, rather than one per hardware thread; an explicit `-N` is obeyed as given. * CUDA 12 builds now contain device code for Volta, so the RHEL 8 packages and the portable Linux `.tgz` run on a V100; the CUDA 13 artefacts (RHEL 9, Ubuntu, Windows) remain Turing and newer. * The build resolves a single Eigen for the whole project, and refuses to configure if Ceres picks up a different one; a build that mixed two Eigen versions was undefined behaviour and crashed at -O2. * Documentation: a security page, and the supported GPU generations and minimum NVIDIA driver version of every released artefact. **Breaking change to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.162, `frontend/src/client`): * `dataset_settings.images_per_file` is no longer `default: 1000` and no longer accepts `0`; it is optional, and its minimum is 1. A client sending `0` (previously "one file for the whole run") is now rejected - omit the field instead, which for a rotation sweep gives the same single file. * `file_writer_format` now defaults to `NXmxVDS`, matching the server's own default and the layout recommended for DIALS, XDS and CrystFEL. A generated client that fills in schema defaults and does not set the format explicitly will write VDS masters where it previously wrote legacy ones; set `NXmxLegacy` explicitly to keep them. --------- Co-authored-by: jungfrau <jungfrau@mx-aare-test.psi.ch> Reviewed-on: #72 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
298 lines
11 KiB
C++
298 lines
11 KiB
C++
// SPDX-FileCopyrightText: 2025 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 "JFJochReaderImage.h"
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#include "../common/PixelMask.h"
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#include "JFJochDecompress.h"
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#include <queue>
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#include <algorithm>
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#include <cmath>
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JFJochReaderImage::JFJochReaderImage(const DataMessage &in_message,
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const std::shared_ptr<const JFJochReaderDataset> &in_dataset)
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: message(in_message),
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dataset(in_dataset),
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image(in_dataset->experiment.GetPixelsNum(), 0) {
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ProcessInputImage(in_message.image);
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message.image = CompressedImage(image, in_dataset->experiment.GetXPixelsNum(),
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in_dataset->experiment.GetYPixelsNum());
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}
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JFJochReaderImage::JFJochReaderImage(const JFJochReaderImage &other)
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: dataset(other.dataset),
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image(other.image),
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message(other.message),
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saturated_pixel(other.saturated_pixel),
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error_pixel(other.error_pixel),
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valid_pixel(other.valid_pixel),
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valid_min(other.valid_min),
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valid_max(other.valid_max),
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valid_count(other.valid_count),
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has_valid(other.has_valid),
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top_pixels_acc(other.top_pixels_acc),
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top_pixels(other.top_pixels),
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count_histogram(other.count_histogram),
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auto_foreground(other.auto_foreground) {
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// Need to make image use local copy
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message.image = CompressedImage(image, dataset->experiment.GetXPixelsNum(),
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dataset->experiment.GetYPixelsNum());
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}
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void JFJochReaderImage::ProcessInputImage(const CompressedImage &in_image) {
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size_t npixel = in_image.GetWidth() * in_image.GetHeight();
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if (npixel == 0)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Image size cannot be zero");
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std::vector<uint8_t> tmp;
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const auto compression_start_time = std::chrono::steady_clock::now();
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const uint8_t *image_ptr = in_image.GetUncompressedPtr(tmp);
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const auto compression_end_time = std::chrono::steady_clock::now();
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if (in_image.GetCompressionAlgorithm() != CompressionAlgorithm::NO_COMPRESSION)
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message.compression_time_s = std::chrono::duration<float>(compression_end_time - compression_start_time).count();
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switch (in_image.GetMode()) {
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case CompressedImageMode::Int8:
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ProcessInputImage<int8_t>(image_ptr, npixel, INT8_MAX, INT8_MIN);
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break;
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case CompressedImageMode::Int16:
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ProcessInputImage<int16_t>(image_ptr, npixel, INT16_MAX, INT16_MIN);
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break;
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case CompressedImageMode::Int32:
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ProcessInputImage<int32_t>(image_ptr, npixel, INT32_MAX, INT32_MIN);
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break;
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case CompressedImageMode::Uint8:
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ProcessInputImage<uint8_t>(image_ptr, npixel, UINT8_MAX, INT64_MAX);
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break;
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case CompressedImageMode::Uint16:
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ProcessInputImage<uint16_t>(image_ptr, npixel, UINT16_MAX, INT64_MAX);
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break;
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case CompressedImageMode::Uint32:
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ProcessInputImage<uint32_t>(image_ptr, npixel, INT32_MAX, INT64_MAX);
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break;
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default:
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Floating point images not supported");
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}
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}
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template<class T>
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void JFJochReaderImage::ProcessInputImage(const void *data, size_t npixel, int64_t sat_value, int64_t special_value) {
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if (npixel != image.size())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Mismatch in input size");
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const T* img_ptr = reinterpret_cast<const T*>(data);
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// Reset per-image stats
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saturated_pixel.clear();
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error_pixel.clear();
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valid_count = 0;
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has_valid = false;
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top_pixels_acc.Clear();
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top_pixels.clear();
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top_pixels.reserve(top_pixels_acc.Capacity());
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bool has_input_mask = false;
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const auto &mask = dataset->pixel_mask->GetMask();
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if (mask.size() == npixel)
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has_input_mask = true;
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for (size_t i = 0; i < npixel; i++) {
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int32_t val;
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if (img_ptr[i] <= INT32_MAX)
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val = static_cast<int32_t>(img_ptr[i]);
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else
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val = INT32_MAX;
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uint32_t mask_val = 0;
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if (has_input_mask)
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mask_val = mask[i];
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if ((mask_val & (
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(1<<PixelMask::ModuleGapPixelBit)
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| (1<<PixelMask::ChipGapPixelBit)
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| (1<<PixelMask::ModuleEdgePixelBit))) != 0) {
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image[i] = GAP_PXL_VALUE;
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} else if ((mask_val & (1u << PixelMask::BeamStopPixelBit)) != 0) {
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image[i] = BEAM_STOP_PXL_VALUE;
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} else if ((mask_val != 0) || (img_ptr[i] == special_value)) {
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image[i] = ERROR_PXL_VALUE;
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error_pixel.emplace(static_cast<int64_t>(i));
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} else if (val >= sat_value) {
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image[i] = SATURATED_PXL_VALUE;
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saturated_pixel.emplace(static_cast<int64_t>(i));
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} else {
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image[i] = val;
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if (!has_valid) {
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has_valid = true;
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valid_min = val;
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valid_max = val;
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} else {
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valid_min = std::min(valid_min, val);
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valid_max = std::max(valid_max, val);
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}
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valid_count++;
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count_histogram.Add(val);
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top_pixels_acc.Add(val, static_cast<int32_t>(i));
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}
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}
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auto_foreground = count_histogram.Percentile(auto_foreground_range).value_or(10);
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// Export top pixels (already sorted descending) into the existing vector interface
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for (int i = 0; i < top_pixels_acc.Size(); i++) {
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const auto &e = top_pixels_acc[i];
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top_pixels.emplace_back(e.value, e.index);
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}
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}
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std::optional<std::pair<int32_t, int32_t>> JFJochReaderImage::ValidMinMax() const {
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if (!has_valid)
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return {};
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return std::make_pair(valid_min, valid_max);
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}
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const std::vector<std::pair<int32_t, int32_t>> &JFJochReaderImage::GetTopPixels() const {
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return top_pixels;
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}
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const DataMessage &JFJochReaderImage::ImageData() const {
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return message;
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}
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DataMessage &JFJochReaderImage::ImageData() {
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return message;
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}
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const std::vector<int32_t> &JFJochReaderImage::Image() const {
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return image;
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}
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const std::unordered_set<int64_t> &JFJochReaderImage::SaturatedPixels() const {
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return saturated_pixel;
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}
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const std::unordered_set<int64_t> &JFJochReaderImage::ErrorPixels() const {
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return error_pixel;
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}
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const JFJochReaderDataset &JFJochReaderImage::Dataset() const {
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if (!dataset)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Dataset not set");
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return *dataset;
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}
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void JFJochReaderImage::AddImage(const JFJochReaderImage &other) {
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if (other.Image().size() != image.size())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Mismatch in size");
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message.indexing_result = false;
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message.resolution_estimate = {};
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message.bkg_estimate = {};
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message.spots = {};
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error_pixel.clear();
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saturated_pixel.clear();
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valid_count = 0;
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has_valid = false;
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top_pixels_acc.Clear();
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top_pixels.clear();
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top_pixels.reserve(top_pixels_acc.Capacity());
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count_histogram.clear();
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for (size_t i = 0; i < image.size(); i++) {
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if (image[i] == GAP_PXL_VALUE || other.image[i] == GAP_PXL_VALUE) {
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image[i] = GAP_PXL_VALUE;
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} else if (image[i] == BEAM_STOP_PXL_VALUE || other.image[i] == BEAM_STOP_PXL_VALUE) {
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image[i] = BEAM_STOP_PXL_VALUE;
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} else if (image[i] == ERROR_PXL_VALUE || other.image[i] == ERROR_PXL_VALUE) {
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image[i] = ERROR_PXL_VALUE;
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error_pixel.emplace(static_cast<int64_t>(i));
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} else if (image[i] == SATURATED_PXL_VALUE || other.image[i] == SATURATED_PXL_VALUE) {
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image[i] = SATURATED_PXL_VALUE;
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saturated_pixel.emplace(static_cast<int64_t>(i));
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} else {
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int64_t sum = static_cast<int64_t>(image[i]) + static_cast<int64_t>(other.image[i]);
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if (sum < MIN_REAL_PXL_VALUE) [[unlikely]] {
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image[i] = ERROR_PXL_VALUE;
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error_pixel.emplace(static_cast<int64_t>(i));
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} else if (sum >= dataset->experiment.GetSaturationLimit()) [[unlikely]] {
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image[i] = SATURATED_PXL_VALUE;
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saturated_pixel.emplace(static_cast<int64_t>(i));
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} else {
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const int32_t val = static_cast<int32_t>(sum);
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image[i] = val;
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if (!has_valid) {
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has_valid = true;
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valid_min = val;
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valid_max = val;
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} else {
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valid_min = std::min(valid_min, val);
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valid_max = std::max(valid_max, val);
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}
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valid_count++;
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count_histogram.Add(val);
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top_pixels_acc.Add(val, static_cast<int32_t>(i));
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}
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}
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}
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auto_foreground = count_histogram.Percentile(auto_foreground_range).value_or(10);
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for (int i = 0; i < top_pixels_acc.Size(); i++) {
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const auto &e = top_pixels_acc[i];
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top_pixels.emplace_back(e.value, e.index);
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}
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}
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std::vector<float> JFJochReaderImage::GetAzInt1D() const {
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if (dataset->azimuthal_bins <= 1) {
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return message.az_int_profile;
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} else if (message.az_int_profile.size() == dataset->azimuthal_bins * dataset->q_bins
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&& dataset->azimuthal_bins * dataset->q_bins > 0 ) {
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std::vector<float> tmp(dataset->q_bins);
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for (int i = 0; i < message.az_int_profile.size(); i++)
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tmp[i % dataset->q_bins] += message.az_int_profile[i];
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return tmp;
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} else
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return {};
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}
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std::vector<float> JFJochReaderImage::GetAzInt1D_BinToQ() const {
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if (dataset->azimuthal_bins <= 1) {
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return dataset->az_int_bin_to_q;
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} else if (dataset->az_int_bin_to_q.size() == dataset->azimuthal_bins * dataset->q_bins
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&& dataset->azimuthal_bins * dataset->q_bins > 0 ) {
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std::vector<float> tmp(dataset->q_bins);
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for (int i = 0; i < dataset->q_bins; i++)
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tmp[i] = dataset->az_int_bin_to_q[i];
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return tmp;
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} else
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return {};
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}
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std::shared_ptr<JFJochReaderDataset> JFJochReaderImage::CreateMutableDataset() {
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std::shared_ptr<JFJochReaderDataset> new_dataset = std::make_shared<JFJochReaderDataset>(*dataset);
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dataset = new_dataset;
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return new_dataset;
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}
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int32_t JFJochReaderImage::GetAutoContrastValue() const {
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return auto_foreground;
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}
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std::vector<float> JFJochReaderImage::GetHistogram() const {
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return count_histogram.GetCount();
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}
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