leonarski_f
1bc96d0f17
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90 lines
3.8 KiB
C++
90 lines
3.8 KiB
C++
// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#include <catch2/catch_all.hpp>
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#include "../image_analysis/scale_merge/HKLKey.h"
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TEST_CASE("HKLKey_NoSG_noMergeFriedel") {
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HKLKeyGenerator hkl_key_gen(false, 1);
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CHECK(hkl_key_gen(-1, -2, -3) != hkl_key_gen(1,2,3));
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CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
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CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
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}
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TEST_CASE("HKLKey_NoSG_MergeFriedel") {
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HKLKeyGenerator hkl_key_gen(true, 1);
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CHECK(hkl_key_gen(-1, -2, -3) == hkl_key_gen(1,2,3));
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CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
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CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
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}
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TEST_CASE("HKLKey_SG1_MergeFriedel") {
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HKLKeyGenerator hkl_key_gen(true, *gemmi::find_spacegroup_by_number(1));
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CHECK(hkl_key_gen(-1, -2, -3) == hkl_key_gen(1,2,3));
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CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
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CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
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}
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TEST_CASE("HKLKey_SG1_NoMergeFriedel") {
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HKLKeyGenerator hkl_key_gen(false, *gemmi::find_spacegroup_by_number(1));
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CHECK(hkl_key_gen(-1, -2, -3) != hkl_key_gen(1,2,3));
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CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
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CHECK(hkl_key_gen(-1,-2,-3) != hkl_key_gen(1,-2,-3));
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}
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TEST_CASE("HKLKey_SG96_MergeFriedel") {
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HKLKeyGenerator hkl_key_gen(true, *gemmi::find_spacegroup_by_number(96));
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CHECK(hkl_key_gen(-1, -2, -3) == hkl_key_gen(1,2,3));
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CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2,1,3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,-2,3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,-1,3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(1,-2,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,2,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,1,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2, -1, -3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2,-1,3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2, 1, 3));
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}
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TEST_CASE("HKLKey_SG96_NoMergeFriedel") {
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HKLKeyGenerator hkl_key_gen(false, *gemmi::find_spacegroup_by_number(96));
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CHECK(hkl_key_gen(-1, -2, -3) != hkl_key_gen(1,2,3));
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CHECK(hkl_key_gen(-1,-2,-3) == hkl_key_gen(-1,-2,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2,1,3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,-2,3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,-1,3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(1,-2,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-1,2,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(2,1,-3));
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CHECK(hkl_key_gen(1,2,3) == hkl_key_gen(-2, -1, -3));
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CHECK(hkl_key_gen(1,2,3) != hkl_key_gen(-2,-1,3));
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CHECK(hkl_key_gen(1,2,3) != hkl_key_gen(2, 1, 3));
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}
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TEST_CASE("HKLKey_pack_friedel") {
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HKLKeyGenerator hkl_key_gen(false, *gemmi::find_spacegroup_by_number(1));
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CHECK(hkl_key_gen(-1, -2, -3).pack() != hkl_key_gen(1,2,3).pack());
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CHECK(hkl_key_gen(-1,-2,-3).pack() == hkl_key_gen(-1,-2,-3).pack());
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CHECK(hkl_key_gen(-1,-2,-3).pack() != hkl_key_gen(1,-2,-3).pack());
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}
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TEST_CASE("HKLKey_pack_no_friedel") {
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HKLKeyGenerator hkl_key_gen(true, *gemmi::find_spacegroup_by_number(1));
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CHECK(hkl_key_gen(-1, -2, -3).pack() == hkl_key_gen(1,2,3).pack());
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CHECK(hkl_key_gen(-1,-2,-3).pack() == hkl_key_gen(-1,-2,-3).pack());
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CHECK(hkl_key_gen(-1,-2,-3).pack() != hkl_key_gen(1,-2,-3).pack());
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}
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TEST_CASE("HKLKey_sys_absence_P212121") {
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HKLKeyGenerator hkl_key_gen(false, *gemmi::find_spacegroup_by_number(19));
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CHECK(hkl_key_gen.IsSystematicallyAbsent(5,0,0));
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CHECK(!hkl_key_gen.IsSystematicallyAbsent(6,0,0));
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CHECK(hkl_key_gen.IsSystematicallyAbsent(0,5,0));
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CHECK(hkl_key_gen.IsSystematicallyAbsent(0,0,5));
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CHECK(!hkl_key_gen.IsSystematicallyAbsent(0,4,0));
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CHECK(!hkl_key_gen.IsSystematicallyAbsent(5,5,5));
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} |