CrystalLattice: Handle Monoclinic cell to enforce obtuse beta

2026-03-03 14:36:08 +01:00
parent f3e0a15d26
commit 2e08bff4df
3 changed files with 6 additions and 34 deletions
--- a/image_analysis/IndexAndRefine.cpp
+++ b/image_analysis/IndexAndRefine.cpp
@@ -82,6 +82,9 @@ IndexAndRefine::IndexingOutcome IndexAndRefine::DetermineLatticeAndSymmetry(Data
            .crystal_system = sym_result.system
        };
        outcome.lattice_candidate = sym_result.conventional;
+
+        if (sym_result.system == gemmi::CrystalSystem::Monoclinic)
+            outcome.lattice_candidate->ReorderMonoclinic();
    }

    return outcome;