mx/Jungfraujoch
1
1
Fork 0
Code Issues Pull Requests 1 Actions Packages Projects Releases 53 Wiki Activity

HKLKey: Test properly, fix bug with merging Friedel pairs when no SG given
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 13m15s
Details
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m51s
Details
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m43s
Details
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 16m0s
Details
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 15m59s
Details
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 16m4s
Details
Build Packages / build:rpm (rocky9) (push) Successful in 11m17s
Details
Build Packages / build:rpm (rocky8) (push) Successful in 13m20s
Details
Build Packages / XDS test (durin plugin) (push) Successful in 10m21s
Details
Build Packages / Generate python client (push) Successful in 30s
Details
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m45s
Details
Build Packages / Create release (push) Skipped
Details
Build Packages / build:rpm (ubuntu2404) (push) Successful in 11m42s
Details
Build Packages / Build documentation (push) Successful in 1m23s
Details
Build Packages / DIALS test (push) Successful in 14m17s
Details
Build Packages / XDS test (neggia plugin) (push) Successful in 5m42s
Details
Build Packages / XDS test (JFJoch plugin) (push) Successful in 7m13s
Details
Build Packages / Unit tests (push) Successful in 59m6s
Details

Browse Source
This commit is contained in:
leonarski_f
2026-05-11 08:29:41 +02:00
parent b854c0f356
commit e70b21f6de
6 changed files with 109 additions and 30 deletions
Download Patch File Download Diff File Expand all files Collapse all files
tests/MergeScaleTest.cpp
+66
View File
@@ -0,0 +1,66 @@
// 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));
}