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Jungfraujoch/tests/MergeScaleTest.cpp
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HKLKey: Test properly, fix bug with merging Friedel pairs when no SG given
2026-05-11 08:29:41 +02:00

67 lines
2.8 KiB
C++

// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <catch2/catch_all.hpp>
#include "../image_analysis/scale_merge/HKLKey.h"
TEST_CASE("HKLKey_NoSG_noMergeFriedel") {
HKLKeyGenerator hkl_key_gen(false, std::nullopt);
CHECK(hkl_key_gen(-1, -2, -3) != hkl_key_gen(1,2,3));
CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
}
TEST_CASE("HKLKey_NoSG_MergeFriedel") {
HKLKeyGenerator hkl_key_gen(true, std::nullopt);
CHECK(hkl_key_gen(-1, -2, -3) == hkl_key_gen(1,2,3));
CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
}
TEST_CASE("HKLKey_SG1_MergeFriedel") {
HKLKeyGenerator hkl_key_gen(true, *gemmi::find_spacegroup_by_number(1));
CHECK(hkl_key_gen(-1, -2, -3) == hkl_key_gen(1,2,3));
CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
}
TEST_CASE("HKLKey_SG1_NoMergeFriedel") {
HKLKeyGenerator hkl_key_gen(false, *gemmi::find_spacegroup_by_number(1));
CHECK(hkl_key_gen(-1, -2, -3) != hkl_key_gen(1,2,3));
CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
}
TEST_CASE("HKLKey_SG96_MergeFriedel") {
HKLKeyGenerator hkl_key_gen(true, *gemmi::find_spacegroup_by_number(96));
CHECK(hkl_key_gen(-1, -2, -3) == hkl_key_gen(1,2,3));
CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2,1,3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,-2,3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,-1,3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(1,-2,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,2,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,1,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2, -1, -3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2,-1,3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2, 1, 3));
}
TEST_CASE("HKLKey_SG96_NoMergeFriedel") {
HKLKeyGenerator hkl_key_gen(false, *gemmi::find_spacegroup_by_number(96));
CHECK(hkl_key_gen(-1, -2, -3) != hkl_key_gen(1,2,3));
CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2,1,3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,-2,3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,-1,3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(1,-2,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,2,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,1,-3));
CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2, -1, -3));
CHECK(hkl_key_gen(1,2,3) != hkl_key_gen(-2,-1,3));
CHECK(hkl_key_gen(1,2,3) != hkl_key_gen(2, 1, 3));
}