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RotationIndexerTest: Rotate slightly base crystal lattice to avoid being colinear to coordinate system

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leonarski_f
2025-12-01 17:41:33 +01:00
parent 115db0ff45
commit 2fc9a68930
1 changed files with 2 additions and 1 deletions
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tests/RotationIndexerTest.cpp
+2 -1
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@@ -30,6 +30,7 @@ TEST_CASE("RotationIndexer") {
// Base lattice (non-pathological)
CrystalLattice latt_base(40, 50, 80, 90, 90, 90);
latt_base = latt_base.Multiply(RotMatrix(5.0, Coord(sqrt(2)/2,sqrt(2)/2,0)));
// Rotation axis: around X with 1 deg per image
GoniometerAxis axis("omega", 0.0f, 1.0f, Coord(1,0,0), std::nullopt);
@@ -81,5 +82,5 @@ TEST_CASE("RotationIndexer") {
<< ret->search_result.conventional.GetUnitCell().beta << " "
<< ret->search_result.conventional.GetUnitCell().gamma << std::endl;
CHECK(ret->search_result.centering == 'P');
CHECK(ret->search_result.system == gemmi::CrystalSystem::Monoclinic);
CHECK(ret->search_result.system == gemmi::CrystalSystem::Orthorhombic);
}