leonarski_f
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This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144. jfjoch_process: Generate a dedicated file (_process.h5), which can be used as a replacement for the _master.h5 file for a reanalyzed dataset. jfjoch_process: Improve the performance of scaling and merging, implement on the fly scaling. jfjoch_writer: All final data analysis results are repopulated in the _master.h5 file. jfjoch_scale: Dedicated tool for rescaling/merging existing data. jfjoch_viewer: Fix bugs where pixel labels where displayed on a wrong pixel. WARNING! Scaling and merging are experimental at the moment, and may not provide reasonable results for the time being. Reviewed-on: #56
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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} |