RotationIndexerTest: Use FFT or FFTW indexing (if available)
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@@ -17,18 +17,26 @@ TEST_CASE("RotationIndexer") {
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.DetectorDistance_mm(200);
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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, 95, 90);
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CrystalLattice latt_base(40, 50, 80, 90, 90, 90);
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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 = 1.5,
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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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@@ -65,7 +73,7 @@ TEST_CASE("RotationIndexer") {
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CHECK (cnt == 20);
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auto ret = indexer.Finalize(false);
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REQUIRE(ret);
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REQUIRE(ret.has_value());
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CHECK(ret->search_result.centering == 'P');
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CHECK(ret->search_result.system == gemmi::CrystalSystem::Monoclinic);
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}
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