From 1ca8fec789e5cbb6eca6ea570320574c9118b38f Mon Sep 17 00:00:00 2001 From: leonarski_f Date: Sun, 7 Jun 2026 19:26:38 +0200 Subject: [PATCH] NXmx: Save rotationExtraLattices (if present) --- writer/HDF5NXmx.cpp | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/writer/HDF5NXmx.cpp b/writer/HDF5NXmx.cpp index 45d6849f..dcbd0e54 100644 --- a/writer/HDF5NXmx.cpp +++ b/writer/HDF5NXmx.cpp @@ -794,6 +794,19 @@ void NXmx::Finalize(const EndMessage &end) { SaveVector(*hdf5_file, "/entry/MX/rotationLatticeIndexed", end.rotation_lattice->GetVector()) ->Units("Angstrom"); + if (!end.rotation_extra_lattices.empty()) { + std::vector latt_info(9 * end.rotation_extra_lattices.size()); + for (int i = 0; i < end.rotation_extra_lattices.size(); i++) { + auto vec = end.rotation_extra_lattices[i].GetVector(); + for (int j = 0; j < 9; j++) + latt_info[i * 9 + j] = vec[j]; + } + SaveVector(*hdf5_file, + "/entry/MX/rotationExtraLattices", + latt_info,{end.rotation_extra_lattices.size(), 9}) + ->Units("Angstrom"); + } + if (end.rotation_lattice_type) SaveScalar(*hdf5_file, "/entry/MX/rotationLatticeNiggliClass", end.rotation_lattice_type->niggli_class);