// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute // SPDX-License-Identifier: GPL-3.0-only #include #include #include #include #include #include "../common/Definitions.h" #include "../common/JFJochMath.h" #include "../image_analysis/geom_refinement/Calibrants.h" #include "../rugnux/RugnuxCalibration.h" TEST_CASE("Calibrants_LookupIsCaseInsensitive", "[DetGeomCalib]") { CHECK(CalibrantRings("LaB6") == CalibrantRings("lab6")); CHECK(CalibrantRings("AgBh") == CalibrantRings("agbh")); CHECK(CalibrantRings("nonsense").empty()); } // The innermost ring of a cubic standard is its (100), so the first q is 2*pi/a. This is what fixes // the distance in GuessInitialGeometry, so a wrong table would put every calibration off by that scale. TEST_CASE("Calibrants_CubicStandardsHaveTheirLatticeConstant", "[DetGeomCalib]") { const std::map a_A = {{"lab6", LAB6_CELL_A}, {"ceo2", 5.4115}, {"si", 5.43102}}; for (const auto &[name, a] : a_A) { const auto q = CalibrantRings(name); REQUIRE(!q.empty()); CHECK(q.front() == Catch::Approx(2.0 * PI / a).epsilon(1e-5)); } } // Ice is the reason the calibrant abstraction is a ring list and not a UnitCell: its entries are // measured ring positions, and enumerating hkl from the hexagonal cell would add rings that are // systematically absent in P6_3/mmc. TEST_CASE("Calibrants_IceIsTheMeasuredRingList", "[DetGeomCalib]") { const auto q = CalibrantRings("ice"); REQUIRE(q.size() == ICE_RING_RES_A.size()); CHECK(std::is_sorted(q.begin(), q.end())); CHECK(q.front() == Catch::Approx(2.0 * PI / ICE_RING_RES_A[0]).epsilon(1e-5)); // 3.895 A, the widest } // pyFAI's Poni1 is the SLOW axis (rows, our y) and Poni2 the FAST axis (columns, our x), both in // metres. Transposing them produces a file that is silently wrong, so pin the mapping with a geometry // whose two axes differ. TEST_CASE("Calibration_PoniFileAxisConvention", "[DetGeomCalib]") { DiffractionExperiment x(DetJF4M()); x.BeamX_pxl(1000.0f).BeamY_pxl(1275.0f).DetectorDistance_mm(150.0f); DiffractionGeometry geom = x.GetDiffractionGeometry(); geom.PoniRot1_rad(0.01f).PoniRot2_rad(-0.02f); const std::string path = "poni_test.poni"; WritePoniFile(path, x, geom); std::map keys; std::ifstream f(path); std::string line; while (std::getline(f, line)) { const auto colon = line.find(':'); if (line.empty() || line[0] == '#' || colon == std::string::npos) continue; keys[line.substr(0, colon)] = line.substr(colon + 2); } f.close(); std::remove(path.c_str()); const double pixel_m = geom.GetPixelSize_mm() * 1e-3; CHECK(keys["poni_version"] == "2"); CHECK(std::stod(keys["Poni1"]) == Catch::Approx(1275.0 * pixel_m)); // slow axis = y CHECK(std::stod(keys["Poni2"]) == Catch::Approx(1000.0 * pixel_m)); // fast axis = x CHECK(std::stod(keys["Distance"]) == Catch::Approx(0.150)); // rot2 and rot3 are NEGATED into pyFAI's frame and rot1 is not: pyFAI's slow axis runs bottom to // top where the MX convention runs top to bottom, so the frames differ by a reflection in y. That // reverses the sense of a rotation about x or about the beam, while for a rotation about y itself // the axis reverses too and the two cancel. Cross-checked against pyFAI on a real LaB6 image - the // unflipped file integrates rings broader than a zero-tilt one. Do not "fix" these signs to match // the stored values without repeating that check. CHECK(std::stod(keys["Rot1"]) == Catch::Approx(0.01)); CHECK(std::stod(keys["Rot2"]) == Catch::Approx(0.02)); CHECK(std::stod(keys["Rot3"]) == Catch::Approx(0.0)); CHECK(std::stod(keys["Wavelength"]) == Catch::Approx(geom.GetWavelength_A() * 1e-10)); // max_shape is [rows, cols] - the same slow-then-fast order as Poni1/Poni2. const std::string shape = "[" + std::to_string(x.GetYPixelsNumConv()) + ", " + std::to_string(x.GetXPixelsNumConv()) + "]"; CHECK(keys["Detector_config"].find(shape) != std::string::npos); }