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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * **rugnux: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice. * **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster. * **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory. * **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again. **Breaking change to the rugnux command line:** * `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one. * `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride. **Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional: * `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve. * `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing. **Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional: * The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more. * `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.** Reviewed-on: #71 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
597 lines
23 KiB
C++
597 lines
23 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 <catch2/catch_all.hpp>
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#include "../common/AzimuthalIntegrationProfile.h"
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#include "../common/AzimuthalIntegrationMapping.h"
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TEST_CASE("AzimuthalIntegrationMapping_Constructor","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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REQUIRE(x.GetPixelsNum() == 2164*2068);
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std::unique_ptr<AzimuthalIntegrationMapping> radial;
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 5);
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PixelMask pixel_mask(x);
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REQUIRE_NOTHROW(radial = std::make_unique<AzimuthalIntegrationMapping>(x, pixel_mask));
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}
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TEST_CASE("AzimuthalIntegrationMapping_GetBinNumber","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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REQUIRE(mapping.GetBinNumber() == 39);
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}
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TEST_CASE("AzimuthalIntegrationMapping_GetBinNumber_mask","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 9);
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std::vector<uint32_t> pixel_mask(x.GetPixelsNum(), 0);
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auto geom = x.GetDiffractionGeometry();
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for (int row = 0; row < x.GetYPixelsNum(); row++) {
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for (int col = 0; col < x.GetXPixelsNum(); col++) {
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float d = geom.PxlToRes(col, row);
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float q = 2 * M_PI / d;
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if (q >= 3.1)
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pixel_mask[row * x.GetXPixelsNum() + col] = 1;
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}
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}
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PixelMask pixel_mask_obj(x);
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pixel_mask_obj.LoadUserMask(x, pixel_mask);
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AzimuthalIntegrationMapping mapping(x, pixel_mask_obj);
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REQUIRE(mapping.GetBinNumber() == 89);
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}
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TEST_CASE("AzimuthalIntegrationMapping_GetBinNumber_DetectorLimit","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 9.9);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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REQUIRE(mapping.GetBinNumber() == 98);
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}
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TEST_CASE("AzimuthalIntegrationMapping_GetBinToQ","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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auto bin_to_q = mapping.GetBinToQ();
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REQUIRE(bin_to_q.size() == 39);
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CHECK(bin_to_q[0] == Catch::Approx(0.15));
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CHECK(bin_to_q[1] == Catch::Approx(0.25));
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CHECK(bin_to_q[15] == Catch::Approx(1.65));
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CHECK(bin_to_q[38] == Catch::Approx(3.95));
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}
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TEST_CASE("AzimuthalIntegrationMapping_GetBinToPhi","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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AzimuthalIntegrationSettings settings;
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settings.QSpacing_recipA(0.1).QRange_recipA(0.1, 4.1).AzimuthalBinCount(4);
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x.ImportAzimuthalIntegrationSettings(settings);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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auto &bin_to_q = mapping.GetBinToQ();
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REQUIRE(bin_to_q.size() == 40 * 4);
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CHECK(bin_to_q[0] == Catch::Approx(0.15));
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CHECK(bin_to_q[1] == Catch::Approx(0.25));
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CHECK(bin_to_q[15] == Catch::Approx(1.65));
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CHECK(bin_to_q[38] == Catch::Approx(3.95));
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auto &bin_to_phi = mapping.GetBinToPhi();
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REQUIRE(bin_to_phi.size() == 40 * 4);
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CHECK(bin_to_phi[0] == Catch::Approx(0));
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CHECK(bin_to_phi[1] == Catch::Approx(0));
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CHECK(bin_to_phi[38] == Catch::Approx(0));
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CHECK(bin_to_phi[40] == Catch::Approx(90));
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}
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TEST_CASE("AzimuthalIntegrationMapping_GetBin","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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AzimuthalIntegrationSettings settings;
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settings.QSpacing_recipA(0.1).QRange_recipA(0.1, 4.1).AzimuthalBinCount(4);
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CHECK(settings.GetBin(0.11f, 0.0f) == 0);
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CHECK(settings.GetBin(0.11f, 95.0f) == 40);
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CHECK(settings.GetBin(0.11f, 185.0f) == 80);
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CHECK(settings.GetBin(4.02f, 280.0f) == 120 + 39);
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}
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#include "../preview/JFJochTIFF.h"
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TEST_CASE("AzimuthalIntegrationMapping_GetMapping","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(100).BeamX_pxl(1000).BeamY_pxl(1000);
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AzimuthalIntegrationSettings settings;
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settings.QSpacing_recipA(0.1).QRange_recipA(0.1, 4.1).AzimuthalBinCount(4);
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x.ImportAzimuthalIntegrationSettings(settings);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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auto map = mapping.GetPixelToBin();
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CompressedImage image(map, x.GetXPixelsNum(), x.GetYPixelsNum());
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WriteTIFFToFile("test.tiff", image);
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CHECK(map[x.GetXPixelsNum() * 500 + 1500] / 40 == 3);
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CHECK(map[x.GetXPixelsNum() * 500 + 500] / 40 == 2);
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CHECK(map[x.GetXPixelsNum() * 1500 + 500] / 40 == 1);
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CHECK(map[x.GetXPixelsNum() * 1500 + 1500] / 40 == 0);
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}
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TEST_CASE("AzimuthalIntegrationMapping_QToBin","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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REQUIRE(mapping.QToBin(0.0) == 0);
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REQUIRE(std::floor(mapping.QToBin(0.200001)) == 1);
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REQUIRE(mapping.QToBin(0.6) == Catch::Approx(5));
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REQUIRE(mapping.QToBin(50.0) == Catch::Approx(38));
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}
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TEST_CASE("AzimuthalIntegrationProfile","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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AzimuthalIntegrationProfile profile(mapping);
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std::vector<float> sum(mapping.GetBinNumber()), sum2(mapping.GetBinNumber());
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std::vector<uint32_t> count(mapping.GetBinNumber());
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for (int i = 0; i < mapping.GetBinNumber(); i++) {
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sum[i] = i * i * 4;
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sum2[i] = i * i * i * i * 4;
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count[i] = i;
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}
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REQUIRE_NOTHROW(profile.Add(sum, sum2, count));
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REQUIRE_NOTHROW(profile.Add(sum, sum2, count));
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std::vector<float> sum_wr(mapping.GetBinNumber() - 1);
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REQUIRE_THROWS(profile.Add(sum_wr, sum2, count));
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auto plot = profile.GetPlot();
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REQUIRE(plot.GetPlots().size() == 1);
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REQUIRE(plot.GetPlots()[0].x.size() == mapping.GetBinNumber());
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REQUIRE(plot.GetPlots()[0].y.size() == mapping.GetBinNumber());
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REQUIRE(plot.GetPlots()[0].x[0] == Catch::Approx(mapping.GetBinToQ()[0]));
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REQUIRE(std::isnan(plot.GetPlots()[0].y[0]));
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for (int i = 1; i < mapping.GetBinNumber(); i++) {
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REQUIRE(plot.GetPlots()[0].x[i] == Catch::Approx(mapping.GetBinToQ()[i]));
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REQUIRE(plot.GetPlots()[0].y[i] == Catch::Approx(i * 4));
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}
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}
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TEST_CASE("AzimuthalIntegrationProfile_GetStd","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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AzimuthalIntegrationProfile profile(mapping);
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REQUIRE(mapping.GetBinNumber() >= 4);
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std::vector<float> sum(mapping.GetBinNumber()), sum2(mapping.GetBinNumber());
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std::vector<uint32_t> count(mapping.GetBinNumber());
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sum[0] = 2 + 3 + 4 + 5;
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sum2[0] = 4 + 9 + 16 + 25;
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count[0] = 4;
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sum[1] = 1 + 1;
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sum2[1] = 1 + 1;
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count[1] = 2;
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sum[2] = 1;
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sum2[2] = 1;
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count[2] = 1;
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sum[3] = 0;
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sum2[3] = 0;
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count[3] = 0;
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REQUIRE_NOTHROW(profile.Add(sum, sum2, count));
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auto ret_mean = profile.GetResult();
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auto ret_stddev = profile.GetStd();
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auto ret_count = profile.GetPixelCount();
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REQUIRE(ret_mean.size() == mapping.GetBinNumber());
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REQUIRE(ret_stddev.size() == mapping.GetBinNumber());
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REQUIRE(ret_count.size() == mapping.GetBinNumber());
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CHECK(ret_mean[0] == Catch::Approx(3.5));
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CHECK(ret_stddev[0] == Catch::Approx(std::sqrt(5.0/ 3.0)));
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CHECK(ret_count[0] == 4);
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CHECK(ret_mean[1] == Catch::Approx(1.0));
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CHECK(ret_stddev[1] == 0.0f);
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CHECK(ret_count[1] == 2);
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CHECK(ret_mean[2] == Catch::Approx(1.0));
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CHECK(std::isnan(ret_stddev[2]));
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CHECK(ret_count[2] == 1);
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CHECK(std::isnan(ret_mean[3]));
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CHECK(std::isnan(ret_stddev[3]));
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CHECK(ret_count[3] == 0);
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}
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TEST_CASE("AzimuthalIntegrationMapping_DimensionsMatchPixelToBin","[AzimuthalIntegration]") {
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// The reported dimensions have to describe the image pixel_to_bin was built for, in both
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// geometry modes - the adaptive spot finders walk the image with them and index pixel_to_bin.
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(80).BeamX_pxl(1030).BeamY_pxl(1080);
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x.QSpacingForAzimInt_recipA(0.05).QRangeForAzimInt_recipA(0.05, 5.0);
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PixelMask converted_mask(x);
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AzimuthalIntegrationMapping converted(x, converted_mask);
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CHECK(converted.GetWidth() * converted.GetHeight() == converted.GetPixelToBin().size());
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x.GeometryTransformation(false);
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PixelMask raw_mask(x);
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AzimuthalIntegrationMapping raw(x, raw_mask);
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CHECK(raw.GetWidth() * raw.GetHeight() == raw.GetPixelToBin().size());
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}
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TEST_CASE("AzimuthalIntegrationProfile_GetStd_AfterClear","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping mapping(x, pixel_mask);
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AzimuthalIntegrationProfile profile(mapping);
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std::vector<float> sum(mapping.GetBinNumber()), sum2(mapping.GetBinNumber());
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std::vector<uint32_t> count(mapping.GetBinNumber());
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sum[0] = 2 + 3 + 4 + 5;
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sum2[0] = 4 + 9 + 16 + 25;
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count[0] = 4;
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// The same frame twice, with a Clear() in between: a profile is reused for every image of a
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// dataset, so the second image has to give exactly the first one's standard deviation.
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profile.Add(sum, sum2, count);
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const auto first = profile.GetStd();
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profile.Clear(mapping);
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profile.Add(sum, sum2, count);
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const auto second = profile.GetStd();
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CHECK(first[0] == Catch::Approx(std::sqrt(5.0 / 3.0)));
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CHECK(second[0] == Catch::Approx(first[0]));
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}
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TEST_CASE("AzimuthalIntegrationProfile_ClearToLargerMapping","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
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x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
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PixelMask pixel_mask(x);
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AzimuthalIntegrationMapping small(x, pixel_mask);
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// A wider q range - the viewer re-uses one profile across datasets, so every vector Clear()
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// touches has to end up the size the new mapping asks for.
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x.QRangeForAzimInt_recipA(0.1, 9);
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AzimuthalIntegrationMapping large(x, pixel_mask);
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REQUIRE(large.GetBinNumber() > small.GetBinNumber());
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AzimuthalIntegrationProfile profile(small);
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profile.Clear(large);
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std::vector<float> sum(large.GetBinNumber()), sum2(large.GetBinNumber());
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std::vector<uint32_t> count(large.GetBinNumber());
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// A bin that exists only in the wider mapping.
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const auto bin = small.GetBinNumber();
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sum[bin] = 2 + 3 + 4 + 5;
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sum2[bin] = 4 + 9 + 16 + 25;
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count[bin] = 4;
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profile.Add(sum, sum2, count);
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const auto stddev = profile.GetStd();
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REQUIRE(stddev.size() == large.GetBinNumber());
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CHECK(stddev[bin] == Catch::Approx(std::sqrt(5.0 / 3.0)));
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}
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TEST_CASE("AzimuthalIntegrationProfile_operatorAdd","[AzimuthalIntegration]") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
|
|
x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
|
|
|
|
PixelMask pixel_mask(x);
|
|
AzimuthalIntegrationMapping mapping(x, pixel_mask);
|
|
|
|
AzimuthalIntegrationProfile profile0(mapping), profile1(mapping);
|
|
|
|
std::vector<float> sum(mapping.GetBinNumber()), sum2(mapping.GetBinNumber());
|
|
std::vector<uint32_t> count(mapping.GetBinNumber());
|
|
|
|
for (int i = 0; i < mapping.GetBinNumber(); i++) {
|
|
sum[i] = (i + 1) * i * 4;
|
|
sum2[i] = (i+ 1) * i * 5;
|
|
count[i] = i + 1;
|
|
}
|
|
REQUIRE_NOTHROW(profile0.Add(sum, sum2, count));
|
|
REQUIRE_NOTHROW(profile1 += profile0);
|
|
|
|
auto plot = profile1.GetPlot();
|
|
|
|
REQUIRE(plot.GetPlots().size() == 1);
|
|
REQUIRE(plot.GetPlots()[0].x.size() == mapping.GetBinNumber());
|
|
REQUIRE(plot.GetPlots()[0].y.size() == mapping.GetBinNumber());
|
|
for (int i = 0; i < mapping.GetBinNumber(); i++) {
|
|
REQUIRE(plot.GetPlots()[0].x[i] == Catch::Approx(mapping.GetBinToQ()[i]));
|
|
REQUIRE(plot.GetPlots()[0].y[i] == Catch::Approx(i * 4));
|
|
}
|
|
}
|
|
|
|
TEST_CASE("AzimuthalIntegrationProfile_GetMeanValueOfBins","[AzimuthalIntegration]") {
|
|
DiffractionExperiment x(DetJF4M());
|
|
x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
|
|
x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 4);
|
|
|
|
PixelMask pixel_mask(x);
|
|
AzimuthalIntegrationMapping mapping(x, pixel_mask);
|
|
|
|
AzimuthalIntegrationProfile profile(mapping);
|
|
|
|
std::vector<float> sum(mapping.GetBinNumber());
|
|
std::vector<float> sum2(mapping.GetBinNumber());
|
|
std::vector<uint32_t> count(mapping.GetBinNumber());
|
|
|
|
for (int i = 0; i < mapping.GetBinNumber(); i++) {
|
|
sum[i] = i * i * 4;
|
|
sum2[i] = i * i * i * i * 4;
|
|
count[i] = i;
|
|
}
|
|
REQUIRE_NOTHROW(profile.Add(sum, sum2, count));
|
|
|
|
REQUIRE(profile.GetMeanValueOfBins(0,2) == Catch::Approx((sum[0] + sum[1] + sum[2]) / double(count[0] + count[1] + count[2])));
|
|
REQUIRE(profile.GetMeanValueOfBins(5,7) == Catch::Approx((sum[5] + sum[6] + sum[7]) / double (count[5] + count[6] + count[7])));
|
|
|
|
x.BkgEstimateQRange_recipA(0.7, 0.8);
|
|
|
|
REQUIRE(profile.GetBkgEstimate(x.GetAzimuthalIntegrationSettings()) == Catch::Approx((sum[5] + sum[6] + sum[7]) / double (count[5] + count[6] + count[7])));
|
|
|
|
x.BkgEstimateQRange_recipA(0.01, 0.345);
|
|
REQUIRE(profile.GetBkgEstimate(x.GetAzimuthalIntegrationSettings()) == Catch::Approx((sum[0] + sum[1] + sum[2]) / double(count[0] + count[1] + count[2])));
|
|
}
|
|
|
|
TEST_CASE("AzimuthalIntegrationProfile_GetResult1D","[AzimuthalIntegration]") {
|
|
DiffractionExperiment x(DetJF4M());
|
|
x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
|
|
|
|
AzimuthalIntegrationSettings settings;
|
|
settings.QSpacing_recipA(0.1f).QRange_recipA(0.1f, 0.4f).AzimuthalBinCount(3);
|
|
x.ImportAzimuthalIntegrationSettings(settings);
|
|
|
|
PixelMask pixel_mask(x);
|
|
AzimuthalIntegrationMapping mapping(x, pixel_mask);
|
|
AzimuthalIntegrationProfile profile(mapping);
|
|
|
|
REQUIRE(mapping.GetQBinCount() == 3);
|
|
REQUIRE(mapping.GetAzimuthalBinCount() == 3);
|
|
REQUIRE(mapping.GetBinNumber() == 9);
|
|
|
|
std::vector<float> sum(mapping.GetBinNumber(), 0.0f);
|
|
std::vector<float> sum2(mapping.GetBinNumber(), 20.0f);
|
|
std::vector<uint32_t> count(mapping.GetBinNumber(), 0);
|
|
|
|
// Layout is [azimuth][q], flattened:
|
|
// az0: q0 q1 q2
|
|
// az1: q0 q1 q2
|
|
// az2: q0 q1 q2
|
|
//
|
|
// Choose values so the correct collapsed result is easy to verify:
|
|
// q0 -> (10 + 20 + 30) / 3 = 20
|
|
// q1 -> (11 + 21 + 31) / 3 = 21
|
|
// q2 -> (12 + 22 + 32) / 3 = 22
|
|
sum[0] = 10; count[0] = 1; // az0 q0
|
|
sum[1] = 11; count[1] = 1; // az0 q1
|
|
sum[2] = 12; count[2] = 1; // az0 q2
|
|
|
|
sum[3] = 20; count[3] = 1; // az1 q0
|
|
sum[4] = 21; count[4] = 1; // az1 q1
|
|
sum[5] = 22; count[5] = 1; // az1 q2
|
|
|
|
sum[6] = 30; count[6] = 1; // az2 q0
|
|
sum[7] = 31; count[7] = 1; // az2 q1
|
|
sum[8] = 32; count[8] = 1; // az2 q2
|
|
|
|
REQUIRE_NOTHROW(profile.Add(sum, sum2, count));
|
|
|
|
auto result_1d = profile.GetResult1D();
|
|
|
|
REQUIRE(result_1d.size() == 3);
|
|
CHECK(result_1d[0] == Catch::Approx(20.0f));
|
|
CHECK(result_1d[1] == Catch::Approx(21.0f));
|
|
CHECK(result_1d[2] == Catch::Approx(22.0f));
|
|
}
|
|
|
|
template <class T>
|
|
static void RequireVectorsEqual(const std::vector<T> &ref,
|
|
const std::vector<T> &other,
|
|
const std::string &name,
|
|
int nthreads) {
|
|
INFO(name << ", threads=" << nthreads);
|
|
REQUIRE(ref.size() == other.size());
|
|
CHECK(memcmp(ref.data(), other.data(), sizeof(T) * ref.size()) == 0);
|
|
}
|
|
|
|
static void CheckAzimuthalIntegrationMappingThreadingExact(const DiffractionExperiment &experiment) {
|
|
PixelMask pixel_mask(experiment);
|
|
|
|
AzimuthalIntegrationMapping mapping_1(experiment, pixel_mask, 1);
|
|
AzimuthalIntegrationMapping mapping_2(experiment, pixel_mask, 2);
|
|
AzimuthalIntegrationMapping mapping_16(experiment, pixel_mask, 16);
|
|
AzimuthalIntegrationMapping mapping_0(experiment, pixel_mask, 0);
|
|
|
|
REQUIRE(mapping_1.GetBinNumber() == mapping_2.GetBinNumber());
|
|
REQUIRE(mapping_1.GetBinNumber() == mapping_16.GetBinNumber());
|
|
REQUIRE(mapping_1.GetBinNumber() == mapping_0.GetBinNumber());
|
|
|
|
REQUIRE(mapping_1.GetQBinCount() == mapping_2.GetQBinCount());
|
|
REQUIRE(mapping_1.GetQBinCount() == mapping_16.GetQBinCount());
|
|
REQUIRE(mapping_1.GetQBinCount() == mapping_0.GetQBinCount());
|
|
|
|
REQUIRE(mapping_1.GetAzimuthalBinCount() == mapping_2.GetAzimuthalBinCount());
|
|
REQUIRE(mapping_1.GetAzimuthalBinCount() == mapping_16.GetAzimuthalBinCount());
|
|
REQUIRE(mapping_1.GetAzimuthalBinCount() == mapping_0.GetAzimuthalBinCount());
|
|
|
|
RequireVectorsEqual(mapping_1.GetPixelToBin(), mapping_2.GetPixelToBin(), "pixel_to_bin", 2);
|
|
RequireVectorsEqual(mapping_1.GetPixelToBin(), mapping_16.GetPixelToBin(), "pixel_to_bin", 16);
|
|
RequireVectorsEqual(mapping_1.GetPixelToBin(), mapping_0.GetPixelToBin(), "pixel_to_bin", 0);
|
|
|
|
RequireVectorsEqual(mapping_1.Resolution(), mapping_2.Resolution(), "resolution", 2);
|
|
RequireVectorsEqual(mapping_1.Resolution(), mapping_16.Resolution(), "resolution", 16);
|
|
RequireVectorsEqual(mapping_1.Resolution(), mapping_0.Resolution(), "resolution", 0);
|
|
|
|
RequireVectorsEqual(mapping_1.Corrections(), mapping_2.Corrections(), "corrections", 2);
|
|
RequireVectorsEqual(mapping_1.Corrections(), mapping_16.Corrections(), "corrections", 16);
|
|
RequireVectorsEqual(mapping_1.Corrections(), mapping_0.Corrections(), "corrections", 0);
|
|
|
|
RequireVectorsEqual(mapping_1.GetBinToQ(), mapping_2.GetBinToQ(), "bin_to_q", 2);
|
|
RequireVectorsEqual(mapping_1.GetBinToQ(), mapping_16.GetBinToQ(), "bin_to_q", 16);
|
|
RequireVectorsEqual(mapping_1.GetBinToQ(), mapping_0.GetBinToQ(), "bin_to_q", 0);
|
|
|
|
RequireVectorsEqual(mapping_1.GetBinToD(), mapping_2.GetBinToD(), "bin_to_d", 2);
|
|
RequireVectorsEqual(mapping_1.GetBinToD(), mapping_16.GetBinToD(), "bin_to_d", 16);
|
|
RequireVectorsEqual(mapping_1.GetBinToD(), mapping_0.GetBinToD(), "bin_to_d", 0);
|
|
|
|
RequireVectorsEqual(mapping_1.GetBinToTwoTheta(), mapping_2.GetBinToTwoTheta(), "bin_to_2theta", 2);
|
|
RequireVectorsEqual(mapping_1.GetBinToTwoTheta(), mapping_16.GetBinToTwoTheta(), "bin_to_2theta", 16);
|
|
RequireVectorsEqual(mapping_1.GetBinToTwoTheta(), mapping_0.GetBinToTwoTheta(), "bin_to_2theta", 0);
|
|
|
|
RequireVectorsEqual(mapping_1.GetBinToPhi(), mapping_2.GetBinToPhi(), "bin_to_phi", 2);
|
|
RequireVectorsEqual(mapping_1.GetBinToPhi(), mapping_16.GetBinToPhi(), "bin_to_phi", 16);
|
|
RequireVectorsEqual(mapping_1.GetBinToPhi(), mapping_0.GetBinToPhi(), "bin_to_phi", 0);
|
|
}
|
|
|
|
TEST_CASE("AzimuthalIntegrationMapping_Threading_FixedGeometry_2000x2000", "[AzimuthalIntegration]") {
|
|
DiffractionExperiment x(DetDECTRIS(2000, 2000, "E16M", ""));
|
|
x.DetectorDistance_mm(50).BeamX_pxl(1000).BeamY_pxl(1000);
|
|
x.QSpacingForAzimInt_recipA(0.1).QRangeForAzimInt_recipA(0.1, 10);
|
|
x.PolarizationFactor(0.99f);
|
|
|
|
REQUIRE(x.IsGeometryTransformed());
|
|
|
|
CheckAzimuthalIntegrationMappingThreadingExact(x);
|
|
}
|
|
|
|
TEST_CASE("AzimuthalIntegrationMapping_Threading_RawGeometry_18Modules", "[AzimuthalIntegration]") {
|
|
DiffractionExperiment x(DetJF9M());
|
|
x.Raw();
|
|
x.DetectorDistance_mm(100).BeamX_pxl(1500).BeamY_pxl(1500);
|
|
x.QSpacingForAzimInt_recipA(0.05).QRangeForAzimInt_recipA(0.1, 8.0);
|
|
x.PolarizationFactor(0.99f);
|
|
|
|
REQUIRE(!x.IsGeometryTransformed());
|
|
REQUIRE(x.GetModulesNum() == 18);
|
|
|
|
CheckAzimuthalIntegrationMappingThreadingExact(x);
|
|
}
|
|
|
|
TEST_CASE("AzimuthalIntegrationMapping_Threading_ConvertedGeometry_18Modules", "[AzimuthalIntegration]") {
|
|
DiffractionExperiment x(DetJF9M());
|
|
x.Conversion();
|
|
x.DetectorDistance_mm(100).BeamX_pxl(1500).BeamY_pxl(1500);
|
|
x.QSpacingForAzimInt_recipA(0.05).QRangeForAzimInt_recipA(0.1, 8.0);
|
|
x.PolarizationFactor(0.99f);
|
|
|
|
REQUIRE(x.IsGeometryTransformed());
|
|
REQUIRE(x.GetModulesNum() == 18);
|
|
|
|
CheckAzimuthalIntegrationMappingThreadingExact(x);
|
|
}
|
|
|
|
// The ice score on an explicit profile: flat means no ice (1.0), and a bump planted on a hexagonal
|
|
// ring is reported at its own height over the background. Uses the static entry point, which is what
|
|
// feeds the score the peak-excluded per-ring background instead of the plain profile.
|
|
TEST_CASE("AzimuthalIntegrationProfile_IceRingScore","[AzimuthalIntegration]") {
|
|
AzimuthalIntegrationSettings settings;
|
|
settings.QSpacing_recipA(0.01f).QRange_recipA(0.1f, 4.5f);
|
|
|
|
const int q_bins = settings.GetQBinCount();
|
|
REQUIRE(q_bins > 400);
|
|
|
|
auto bin_of = [&](float d_A) {
|
|
const float q = 6.283185307f / d_A;
|
|
return static_cast<int>(std::lround((q - settings.GetLowQ_recipA()) / settings.GetQSpacing_recipA() - 0.5f));
|
|
};
|
|
|
|
std::vector<float> profile(q_bins, 100.0f);
|
|
CHECK(AzimuthalIntegrationProfile::IceRingScore(profile, q_bins, settings, 0.03f) == Catch::Approx(1.0f));
|
|
|
|
// A bump at the 2.249 A hexagonal ring, on a background the running median still reads as 100.
|
|
profile[bin_of(2.249f)] = 250.0f;
|
|
CHECK(AzimuthalIntegrationProfile::IceRingScore(profile, q_bins, settings, 0.03f) == Catch::Approx(2.5f));
|
|
|
|
// A bump of the same size well away from every ring is not ice and must not be reported.
|
|
std::vector<float> off_ring(q_bins, 100.0f);
|
|
off_ring[bin_of(2.500f)] = 250.0f;
|
|
CHECK(AzimuthalIntegrationProfile::IceRingScore(off_ring, q_bins, settings, 0.03f) == Catch::Approx(1.0f));
|
|
}
|
|
|
|
// A profile given per (q, azimuth) bin is averaged over azimuth first, so a ring seen in every sector
|
|
// scores the same as the equivalent 1-D profile.
|
|
TEST_CASE("AzimuthalIntegrationProfile_IceRingScore_Azimuthal","[AzimuthalIntegration]") {
|
|
AzimuthalIntegrationSettings settings;
|
|
settings.QSpacing_recipA(0.01f).QRange_recipA(0.1f, 4.5f).AzimuthalBinCount(4);
|
|
|
|
const int q_bins = settings.GetQBinCount();
|
|
const float q = 6.283185307f / 2.249f;
|
|
const int ring = static_cast<int>(std::lround((q - settings.GetLowQ_recipA()) / settings.GetQSpacing_recipA() - 0.5f));
|
|
|
|
std::vector<float> flat(q_bins, 100.0f);
|
|
std::vector<float> sectors(static_cast<size_t>(q_bins) * 4, 100.0f);
|
|
flat[ring] = 250.0f;
|
|
for (int az = 0; az < 4; az++)
|
|
sectors[static_cast<size_t>(az) * q_bins + ring] = 250.0f;
|
|
|
|
CHECK(AzimuthalIntegrationProfile::IceRingScore(sectors, q_bins, settings, 0.03f)
|
|
== Catch::Approx(AzimuthalIntegrationProfile::IceRingScore(flat, q_bins, settings, 0.03f)));
|
|
}
|