Filip Leonarski
b02c412d59
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This is an UNSTABLE release and not recommended for production use (please use rc.111 instead). * jfjoch_viewer: Fix issue when HTTP sync silently disconnected when it was enabled when the broker was starting measurement. * jfjoch_broker: Add protections on time of geometry optimization and reduce rotation recalculations Reviewed-on: #25 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch> Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
90 lines
3.1 KiB
C++
90 lines
3.1 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 <iostream>
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#include "../image_analysis/RotationIndexer.h"
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#include "../image_analysis/bragg_integration/BraggPrediction.h"
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TEST_CASE("RotationIndexer") {
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DiffractionExperiment exp_i;
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exp_i.IncidentEnergy_keV(WVL_1A_IN_KEV)
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.BeamX_pxl(1000)
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.BeamY_pxl(1000)
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.PoniRot1_rad(0.01)
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.PoniRot2_rad(0.02)
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.DetectorDistance_mm(200)
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.ImagesPerTrigger(50);
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IndexingSettings settings;
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#ifdef JFJOCH_USE_CUDA
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settings.Algorithm(IndexingAlgorithmEnum::FFT);
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#elif JFJOCH_USE_FFTW
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settings.Algorithm(IndexingAlgorithmEnum::FFTW);
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#else
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return;
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#endif
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settings.RotationIndexing(true).RotationIndexingAngularStride_deg(1.0).RotationIndexingMinAngularRange_deg(30.0);
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exp_i.ImportIndexingSettings(settings);
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// Base lattice (non-pathological)
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CrystalLattice latt_base(40, 50, 80, 90, 90, 90);
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latt_base = latt_base.Multiply(RotMatrix(2.0, Coord(sqrt(3)/3,sqrt(3)/3,sqrt(3)/3)));
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// Rotation axis: around X with 1 deg per image
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GoniometerAxis axis("omega", 0.0f, 1.0f, Coord(1,0,0), std::nullopt);
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exp_i.Goniometer(axis);
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BraggPredictionSettings prediction_settings{
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.high_res_A = 1.3,
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.ewald_dist_cutoff = 0.002
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};
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IndexerThreadPool indexer_thread_pool(exp_i.GetIndexingSettings());
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RotationIndexer indexer(exp_i, indexer_thread_pool);
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BraggPrediction prediction;
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int cnt = 0;
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// Predict reflections for images at 0-30 deg.
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for (int img = 0; img < 50; ++img) {
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std::vector<SpotToSave> spots;
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// For a rotated image, per-image lattice is obtained as Multiply(rot.transpose())
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const RotMatrix rot = axis.GetTransformation(img);
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const CrystalLattice latt_img = latt_base.Multiply(rot.transpose());
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const auto n = prediction.Calc(exp_i, latt_img, prediction_settings);
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for (int i = 0; i < n; ++i) {
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const auto& r = prediction.GetReflections().at(i);
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SpotToSave s{};
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s.x = r.predicted_x;
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s.y = r.predicted_y;
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s.image = img; // provide image index for rotation-aware refinement
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s.intensity = 1.0f; // minimal positive value
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s.ice_ring = false;
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s.indexed = true;
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spots.push_back(s);
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}
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if (indexer.ProcessImage(img, spots).has_value())
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cnt++;
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}
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CHECK(cnt == 20);
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auto ret = indexer.GetLattice();
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REQUIRE(ret.has_value());
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auto uc = ret->lattice.GetUnitCell();
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auto uc_ref = latt_base.GetUnitCell();
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REQUIRE(std::fabs(uc.a - uc_ref.a) < 0.02 );
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REQUIRE(std::fabs(uc.b - uc_ref.b) < 0.02 );
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REQUIRE(std::fabs(uc.c - uc_ref.c) < 0.02 );
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REQUIRE(std::fabs(uc.alpha - uc_ref.alpha) < 0.1);
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REQUIRE(std::fabs(uc.beta - uc_ref.beta) < 0.1);
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REQUIRE(std::fabs(uc.gamma - uc_ref.gamma) < 0.1);
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CHECK(ret->search_result.centering == 'P');
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CHECK(ret->search_result.system == gemmi::CrystalSystem::Orthorhombic);
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}
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