// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute // SPDX-License-Identifier: GPL-3.0-only #include #include #include #include "../common/JFJochMath.h" #include "../image_analysis/geom_refinement/GeometryRefiner.h" #include "../image_analysis/bragg_prediction/BraggPrediction.h" // A detector of four modules (the quadrants around the beam), each displaced by a known rigid move: the // bundle adjustment with module placement must find the moves, and the fit without it must be worse. TEST_CASE("RefineGlobalGeometry_ModulePlacement") { DiffractionExperiment exp; exp.IncidentEnergy_keV(WVL_1A_IN_KEV).BeamX_pxl(1000).BeamY_pxl(1000).DetectorDistance_mm(150); const DiffractionGeometry geom = exp.GetDiffractionGeometry(); // Moves that hold none of what the gauge takes away: zero in sum, in turn and outwards. std::vector truth(4); const double centre[4][2] = {{500, 500}, {1500, 500}, {500, 1500}, {1500, 1500}}; const double move[4][3] = {{2.0, -2.0, 0.2}, {2.0, 2.0, -0.2}, {-2.0, -2.0, 0.1}, {-2.0, 2.0, -0.1}}; for (int m = 0; m < 4; m++) { truth[m].x0 = centre[m][0]; truth[m].y0 = centre[m][1]; truth[m].dx = move[m][0]; truth[m].dy = move[m][1]; truth[m].rot_rad = move[m][2] * PI / 180.0; } auto module_of = [](double x, double y) { return (x < 1000 ? 0 : 1) + (y < 1000 ? 0 : 2); }; const CrystalLattice latt(50, 60, 70, 90, 90, 90); BraggPredictionSettings settings{.high_res_A = 2.0, .ewald_dist_cutoff = 0.001}; std::mt19937 rng(7); std::uniform_real_distribution u(-1.0f, 1.0f); std::vector frames; for (int f = 0; f < 60; f++) { const Coord axis = Coord(u(rng), u(rng), u(rng)).Normalize(); const CrystalLattice rotated = latt.Multiply(RotMatrix(static_cast(PI) * u(rng), axis)); BraggPrediction prediction; const int n = prediction.Calc(exp, rotated, settings); GeomRefineFrame frame; frame.lattice = rotated; frame.ordinal = f; for (int i = 0; i < n; i++) { const auto &r = prediction.GetReflections().at(i); const int m = module_of(r.predicted_x, r.predicted_y); // where the image shows a spot whose true place is the prediction: the inverse of the move const auto &t = truth[m]; const double c = std::cos(t.rot_rad), s = std::sin(t.rot_rad); const double vx = r.predicted_x - t.x0 - t.dx, vy = r.predicted_y - t.y0 - t.dy; GeomRefineSpot spot; spot.x = static_cast(t.x0 + c * vx + s * vy); spot.y = static_cast(t.y0 - s * vx + c * vy); spot.h = r.h; spot.k = r.k; spot.l = r.l; spot.module = static_cast(m); frame.spots.push_back(spot); } if (frame.spots.size() >= 20) frames.push_back(frame); } REQUIRE(frames.size() > 30); GeometryRefinerSettings st; st.crystal_system = gemmi::CrystalSystem::Orthorhombic; st.num_threads = 2; for (const auto &t: truth) { ModuleShift start; start.x0 = t.x0; start.y0 = t.y0; st.modules.push_back(start); } const auto held = RefineGlobalGeometry(geom, latt.GetUnitCell(), frames, st); REQUIRE(held.ok); st.refine_modules = true; const auto placed = RefineGlobalGeometry(geom, latt.GetUnitCell(), frames, st); REQUIRE(placed.ok); CHECK(placed.median_residual_px < 0.1); CHECK(held.median_residual_px > 5 * placed.median_residual_px); for (int m = 0; m < 4; m++) { CHECK(placed.modules[m].dx == Catch::Approx(truth[m].dx).margin(0.1)); CHECK(placed.modules[m].dy == Catch::Approx(truth[m].dy).margin(0.1)); CHECK(placed.modules[m].rot_rad * 180.0 / PI == Catch::Approx(move[m][2]).margin(0.01)); } CHECK(placed.beam_x_px == Catch::Approx(1000).margin(0.1)); CHECK(placed.beam_y_px == Catch::Approx(1000).margin(0.1)); CHECK(placed.distance_mm == Catch::Approx(150).margin(0.05)); }