// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute // SPDX-License-Identifier: GPL-3.0-only #include #include "../writer/HDF5Objects.h" #include "../image_analysis/indexing/IndexerFactory.h" inline double round_err(double x) { return std::abs(x - std::round(x)); } #ifdef JFJOCH_USE_CUDA #include TEST_CASE("FastFeedbackIndexer","[Indexing]") { std::vector hkl; for (int i = 1; i < 7; i++) for (int j = 1; j<6; j++) for (int k = 1; k < 4; k++) hkl.emplace_back(i,j,k); std::vector cells; cells.emplace_back(30,40,50,90,90,90); cells.emplace_back(80,80,90,90,90,120); cells.emplace_back(40,45,80,90,82.5,90); DiffractionExperiment experiment; experiment.SetUnitCell(cells[0]); experiment.IndexingAlgorithm(IndexingAlgorithmEnum::FFBIDX); REQUIRE(experiment.GetIndexingAlgorithm() == IndexingAlgorithmEnum::FFBIDX); std::unique_ptr indexer = CreateIndexer(experiment); for (auto &c: cells) { CrystalLattice l(c); Eigen::Matrix3f m; m << l.Vec0().x, l.Vec0().y, l.Vec0().z, l.Vec1().x, l.Vec1().y, l.Vec1().z, l.Vec2().x, l.Vec2().y, l.Vec2().z; auto m1 = m.transpose().inverse(); CrystalLattice recip_l(Coord(m1(0,0), m1(0,1), m1(0,2)), Coord(m1(1,0), m1(1,1), m1(1,2)), Coord(m1(2,0), m1(2,1), m1(2,2))); std::vector recip; recip.reserve(hkl.size()); for (const auto &i: hkl) recip.emplace_back(i.x * recip_l.Vec0() + i.y * recip_l.Vec1() + i.z * recip_l.Vec2()); experiment.SetUnitCell(c); indexer->Setup(experiment); auto ret = indexer->Run(recip, recip.size()); REQUIRE(!ret.empty()); //auto uc = ret[0].GetUnitCell(); //REQUIRE(c.a == Catch::Approx(uc.a)); //REQUIRE(c.b == Catch::Approx(uc.b)); //REQUIRE(c.c == Catch::Approx(uc.c)); double err[3] = {0.0, 0.0, 0.0}; for (const auto &iter: recip) { err[0] += round_err(ret[0].Vec0() * iter); err[1] += round_err(ret[0].Vec1() * iter); err[2] += round_err(ret[0].Vec2() * iter); } REQUIRE (err[0] < 0.001 * recip.size()); REQUIRE (err[1] < 0.001 * recip.size()); REQUIRE (err[2] < 0.001 * recip.size()); } } #endif