One changeset, developed together in response to a review of this branch, so the files carry several of the changes at once. Full test suite passes (733 cases). Spot finding - Split ImageSpotFinder into Detect() (flag strong pixels - the expensive per-pixel pass) and ExtractSpots() (CCL + min/max-pix + resolution mask), with Run() = both. The per-image min-pix escalation now detects ONCE and repeats only the cheap extraction, instead of re-running the whole finder four times per frame as it did on the default path. It also keeps the winning attempt's spot list rather than re-extracting it, so the frame that is integrated is exactly the frame that was scored - which a GPU re-extract could not guarantee (float atomic ordering). - spot_finding_time_s no longer swallows indexing time, and indexing_time_s now sums every escalation call instead of reporting only the last. Detection limits follow the detector - The azimuthal-integration upper q and the spot-finding high-resolution limit are now std::optional, in the C++ structs AND in the OpenAPI schema, and resolve to the detector's own maximum (DiffractionExperiment::GetDetectorMaxQ_ recipA). Adaptive detection reads a pixel's ring from the azimuthal bins, so a pixel outside that q range could never be strong - the integration range silently bounded what detection could see, regardless of the requested resolution limit. Regenerated the C++ and TypeScript clients; the viewer and the web frontend each gained a "to detector edge" switch. Detection defaults are now per workflow (measured, not assumed) - Stills: adaptive detection, min-pix chosen per image, no resolution clipping. - Rotation: fixed-threshold finder, min-pix 2, 1.5 A limit. On a 33-crystal rotation battery, adaptive detection helped four hard crystals but deterministically broke three (a lost space group, a halved indexing rate, a collapsed merge), and the detector-edge limit cost indexing on a strong rotation set (100.0 -> 96.8%). Each is still overridable by its flag, and --no-adaptive-spots is new. Indexer seed escalation - Stop escalating once a seed's lattice explains >= 90% of the seed spots. Previously any frame with >= 80 spots always paid three indexer calls, online broker included. Merge-consistency filter - --min-image-cc gated on a per-image CC computed BEFORE the stills partiality post-refinement and never refreshed; the refiner now recomputes it, so the reported CC describes the data that are actually merged. - Replaced the per-call cc_mask argument with one MergeOnTheFly flag, so the merge, the error model and MergeStats can no longer disagree about which images are in (the --scale path merged unfiltered while its statistics were filtered). Per-image B-factor refinement (-B) removed - Measured on four serial-stills datasets: it is a no-op where the per-image fit is well conditioned and actively harmful where it is not (CC1/2 -8.1, R_meas +23.2 on the weakest large-cell set, whose fits hit their [-50, 200] bounds on 14-25% of images). It had also been silently DISCARDED since the partiality post-refinement landed - reported but not applied. Rather than fix and keep a knob with no demonstrated benefit, the flag and the whole image_scale_b_factor chain are gone: setting, scaling fit, message field, CBOR, HDF5 write and read-back, per-image plot, OpenAPI enum, viewer column and checkbox, docs. ScaleOnTheFly no longer needs Ceres at all - the fit is a linear IRLS. (The Wilson per-image b_factor is a different quantity and stays.) Stills partiality width now fits both of its components - sigma^2 = gamma0^2 + (gamma_e*d*)^2 instead of a purely angular gamma_e*d* with gamma0 pinned to 0. Fitted per crystal by least squares of dist_ewald^2 on d*^2. The angular-only width is fitted over a d*^2-dense population, so it was pinned by the high-resolution edge and collapsed at low d*: median partiality 0.008 beyond 13 A for reflections that were plainly recorded, 55% of them under the merge's partiality floor, and the survivors divided by those values - which inflated the merged low-resolution intensity scale 3.6x (~ +9 A^2 of apparent B). Measured on 5000 stills: the ramp flattens to 0.89x, no observation is dropped any more (701750 -> 716811), shell-mean CC1/2 and R-free improve slightly. Note CC1/2, R_meas, completeness and a B-refining R-free are all blind to that ramp, which is why it survived earlier validation; the cost is high-resolution R_meas (98.5 -> 101.9 shell-averaged). Removed dead code from add-then-remove churn - Prediction-time "still partiality" (unreachable: no setter), the phantom IndexingSettings::min_indexed_spot_fraction knob (getter, no setter - now the constant it always was), StillsPartialityRefine's caller-less Settings constructor and its reference to a long-gone env var, ProcessImage's unread bool return, an unused include, and a dead viewer overlay hook. Also - Viewer: the magnifier compared a QImage with itself, so its scene rect was set once ever and it could not pan into a larger dataset; the hover tail timer could fire after leaveEvent and resurrect the resolution readout outside the image. - update_version.sh regenerated the frontend lock file BEFORE bumping the version (every release shipped an off-by-one lock), and did git rm/git add on a path that has not existed since the client moved to src/client - with no set -e, both failed silently. - fpga/pcie_driver/postinstall.sh tested "[ ! occurrences > 0 ]", which is a redirect, not a test, so dkms add never ran. - Unit tests for the adaptive-threshold host functions, which had none. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
259 lines
8.6 KiB
C++
259 lines
8.6 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 <catch2/catch_all.hpp>
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#include "../common/DiffractionExperiment.h"
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#include "../writer/FileWriter.h"
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#include "../xds-plugin/plugin.h"
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namespace {
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void CleanupFiles(const std::string& prefix, int file_count) {
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remove((prefix + "_master.h5").c_str());
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for (int i = 1; i <= file_count; ++i) {
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char data_file[256];
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snprintf(data_file, sizeof(data_file), "%s_data_%06d.h5", prefix.c_str(), i);
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remove(data_file);
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}
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}
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void ClosePlugin() {
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int error_flag = 0;
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plugin_close(&error_flag);
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REQUIRE(error_flag == 0);
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}
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}
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TEST_CASE("XDSPlugin_GetData_VDS", "[HDF5][XDS][Plugin]") {
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DiffractionExperiment x(DetJF(1));
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x.FilePrefix("test_xds_vds").ImagesPerTrigger(3).ImagesPerFile(1).OverwriteExistingFiles(true);
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x.SetFileWriterFormat(FileWriterFormat::NXmxVDS);
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x.BitDepthImage(16).PixelSigned(false);
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x.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
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.IncidentEnergy_keV(WVL_1A_IN_KEV)
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.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
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x.Compression(CompressionAlgorithm::NO_COMPRESSION);
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RegisterHDF5Filter();
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std::vector<uint32_t> pixel_mask(x.GetPixelsNum(), 0);
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std::vector<uint16_t> image(x.GetPixelsNum(), 7);
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image[0] = UINT16_MAX;
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image[1] = 123;
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{
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StartMessage start_message;
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x.FillMessage(start_message);
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start_message.pixel_mask["default"] = pixel_mask;
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FileWriter file_set(start_message);
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for (int i = 0; i < 3; ++i) {
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DataMessage message{};
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image[5678] = static_cast<uint16_t>(200 + i);
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message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
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message.number = i;
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REQUIRE_NOTHROW(file_set.WriteHDF5(message));
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}
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EndMessage end_message;
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end_message.max_image_number = 3;
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file_set.WriteHDF5(end_message);
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file_set.Finalize();
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}
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{
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int info[1024] = {};
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int error_flag = 0;
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REQUIRE_NOTHROW(plugin_open("test_xds_vds_master.h5", info, &error_flag));
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REQUIRE(error_flag == 0);
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int nx = 0, ny = 0, nbytes = 0, number_of_frames = 0;
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float qx = 0.0f, qy = 0.0f;
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REQUIRE_NOTHROW(plugin_get_header(&nx, &ny, &nbytes, &qx, &qy, &number_of_frames, info, &error_flag));
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REQUIRE(error_flag == 0);
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CHECK(nx == static_cast<int>(x.GetXPixelsNum()));
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CHECK(ny == static_cast<int>(x.GetYPixelsNum()));
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CHECK(nbytes == 2);
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CHECK(number_of_frames == 3);
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std::vector<int> data(static_cast<size_t>(nx) * static_cast<size_t>(ny), 0);
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int frame_number = 2;
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REQUIRE_NOTHROW(plugin_get_data(&frame_number, &nx, &ny, data.data(), info, &error_flag));
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REQUIRE(error_flag == 0);
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CHECK(data[0] == -1);
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CHECK(data[1] == 123);
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CHECK(data[5678] == 201);
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ClosePlugin();
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}
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CleanupFiles("test_xds_vds", 3);
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REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
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}
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TEST_CASE("XDSPlugin_GetData_Legacy", "[HDF5][XDS][Plugin]") {
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DiffractionExperiment x(DetJF(1));
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x.FilePrefix("test_xds_legacy").ImagesPerTrigger(2).ImagesPerFile(1).OverwriteExistingFiles(true);
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x.SetFileWriterFormat(FileWriterFormat::NXmxLegacy);
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x.BitDepthImage(16).PixelSigned(true);
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x.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
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.IncidentEnergy_keV(WVL_1A_IN_KEV)
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.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
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x.Compression(CompressionAlgorithm::NO_COMPRESSION);
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RegisterHDF5Filter();
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std::vector<uint32_t> pixel_mask(x.GetPixelsNum(), 0);
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std::vector<int16_t> image(x.GetPixelsNum(), 0);
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image[0] = INT16_MAX;
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image[1] = INT16_MIN;
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image[2] = 456;
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{
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StartMessage start_message;
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x.FillMessage(start_message);
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start_message.pixel_mask["default"] = pixel_mask;
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FileWriter file_set(start_message);
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for (int i = 0; i < 2; ++i) {
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DataMessage message{};
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image[5678] = static_cast<int16_t>(10 + i);
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message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
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message.number = i;
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REQUIRE_NOTHROW(file_set.WriteHDF5(message));
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}
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EndMessage end_message;
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end_message.max_image_number = 2;
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file_set.WriteHDF5(end_message);
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file_set.Finalize();
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}
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{
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int info[1024] = {};
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int error_flag = 0;
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REQUIRE_NOTHROW(plugin_open("test_xds_legacy_master.h5", info, &error_flag));
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REQUIRE(error_flag == 0);
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int nx = 0, ny = 0, nbytes = 0, number_of_frames = 0;
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float qx = 0.0f, qy = 0.0f;
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REQUIRE_NOTHROW(plugin_get_header(&nx, &ny, &nbytes, &qx, &qy, &number_of_frames, info, &error_flag));
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REQUIRE(error_flag == 0);
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REQUIRE(number_of_frames == 2);
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std::vector<int> data(static_cast<size_t>(nx) * static_cast<size_t>(ny), 0);
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int frame_number = 1;
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REQUIRE_NOTHROW(plugin_get_data(&frame_number, &nx, &ny, data.data(), info, &error_flag));
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REQUIRE(error_flag == 0);
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CHECK(data[0] == -1);
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CHECK(data[1] == -1);
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CHECK(data[2] == 456);
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CHECK(data[5678] == 10);
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frame_number = 2;
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REQUIRE_NOTHROW(plugin_get_data(&frame_number, &nx, &ny, data.data(), info, &error_flag));
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REQUIRE(error_flag == 0);
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CHECK(data[5678] == 11);
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ClosePlugin();
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}
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CleanupFiles("test_xds_legacy", 2);
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REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
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}
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TEST_CASE("XDSPlugin_GetData_Integrated", "[HDF5][XDS][Plugin]") {
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DiffractionExperiment x(DetJF(1));
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x.FilePrefix("test_xds_integrated").ImagesPerTrigger(3).OverwriteExistingFiles(true);
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x.SetFileWriterFormat(FileWriterFormat::NXmxIntegrated);
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x.BitDepthImage(16).PixelSigned(false);
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x.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
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.IncidentEnergy_keV(WVL_1A_IN_KEV)
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.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
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x.Compression(CompressionAlgorithm::NO_COMPRESSION);
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RegisterHDF5Filter();
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AzimuthalIntegrationSettings azint_settings;
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azint_settings.AzimuthalBinCount(4);
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x.ImportAzimuthalIntegrationSettings(azint_settings);
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// Unset high q = "as far as the detector reaches"; the experiment resolves it against the geometry.
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azint_settings = x.GetAzimuthalIntegrationSettings();
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std::vector<uint16_t> image(x.GetPixelsNum(), 0);
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image[0] = UINT16_MAX;
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image[1] = 321;
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image[5678] = 777;
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{
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StartMessage start_message;
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x.FillMessage(start_message);
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start_message.pixel_mask["default"] = std::vector<uint32_t>(x.GetPixelsNum(), 0);
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FileWriter file_set(start_message);
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for (int i = 0; i < 3; ++i) {
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DataMessage message{};
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image[5678] = static_cast<uint16_t>(777 + i);
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message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
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message.number = i;
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message.az_int_profile = std::vector<float>(azint_settings.GetBinCount(), static_cast<float>(10 + i));
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REQUIRE_NOTHROW(file_set.WriteHDF5(message));
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}
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EndMessage end_message;
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end_message.max_image_number = 3;
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file_set.WriteHDF5(end_message);
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file_set.Finalize();
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}
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{
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int info[1024] = {};
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int error_flag = 0;
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REQUIRE_NOTHROW(plugin_open("test_xds_integrated_master.h5", info, &error_flag));
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REQUIRE(error_flag == 0);
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int nx = 0, ny = 0, nbytes = 0, number_of_frames = 0;
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float qx = 0.0f, qy = 0.0f;
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REQUIRE_NOTHROW(plugin_get_header(&nx, &ny, &nbytes, &qx, &qy, &number_of_frames, info, &error_flag));
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REQUIRE(error_flag == 0);
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CHECK(nx == static_cast<int>(x.GetXPixelsNum()));
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CHECK(ny == static_cast<int>(x.GetYPixelsNum()));
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CHECK(qx == Catch::Approx(0.075));
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CHECK(qy == Catch::Approx(0.075));
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CHECK(nbytes == 2);
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CHECK(number_of_frames == 3);
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std::vector<int> data(static_cast<size_t>(nx) * static_cast<size_t>(ny), 0);
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int frame_number = 3;
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REQUIRE_NOTHROW(plugin_get_data(&frame_number, &nx, &ny, data.data(), info, &error_flag));
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REQUIRE(error_flag == 0);
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CHECK(data[0] == -1);
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CHECK(data[1] == 321);
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CHECK(data[5678] == 779);
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ClosePlugin();
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}
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remove("test_xds_integrated_master.h5");
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REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
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} |