From 2fc9a68930861883c2132bb192017f86df452e3c Mon Sep 17 00:00:00 2001 From: Filip Leonarski Date: Mon, 1 Dec 2025 17:41:33 +0100 Subject: [PATCH] RotationIndexerTest: Rotate slightly base crystal lattice to avoid being colinear to coordinate system --- tests/RotationIndexerTest.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/tests/RotationIndexerTest.cpp b/tests/RotationIndexerTest.cpp index d0889b74..b8de88c2 100644 --- a/tests/RotationIndexerTest.cpp +++ b/tests/RotationIndexerTest.cpp @@ -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); }