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Include lattice count
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Browse Source
This commit is contained in:
leonarski_f
2026-06-07 22:07:49 +02:00
parent 1ca8fec789
commit 8a059f3b94
26 changed files with 116 additions and 41 deletions
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writer/HDF5DataFilePluginMX.cpp
+6 -11
View File
@@ -60,24 +60,15 @@ void HDF5DataFilePluginMX::OpenFile(HDF5File &data_file, const DataMessage &msg,
spot_x.reserve(max_spots * images_per_file);
spot_y.reserve(max_spots * images_per_file);
spot_int.reserve(max_spots * images_per_file);
spot_indexed.reserve(max_spots * images_per_file);
spot_ice_ring.reserve(max_spots * images_per_file);
spot_h.reserve(max_spots * images_per_file);
spot_k.reserve(max_spots * images_per_file);
spot_l.reserve(max_spots * images_per_file);
spot_dist_ewald.reserve(max_spots * images_per_file);
spot_x.reserve(max_spots * images_per_file);
spot_y.reserve(max_spots * images_per_file);
spot_int.reserve(max_spots * images_per_file);
spot_ice_ring.reserve(max_spots * images_per_file);
spot_h.reserve(max_spots * images_per_file);
spot_k.reserve(max_spots * images_per_file);
spot_l.reserve(max_spots * images_per_file);
spot_lattice.reserve(max_spots * images_per_file);
spot_dist_ewald.reserve(max_spots * images_per_file);
if (indexing) {
spot_indexed.reserve(max_spots * images_per_file);
spot_lattice.reserve(max_spots * images_per_file);
indexed_lattice.reserve(images_per_file * 9);
extra_lattices.reserve(images_per_file * max_extra_lattices * 9);
}
@@ -156,6 +147,8 @@ void HDF5DataFilePluginMX::Write(const DataMessage &msg, uint64_t image_number)
if (indexing) {
indexed[image_number] = msg.indexing_result.value_or(0);
// Fallback value is indexing result (1 or 0 lattices)
indexing_lattice_count[image_number] = msg.indexing_lattice_count.value_or(indexed[image_number]);
profile_radius[image_number] = msg.profile_radius.value_or(NAN);
mosaicity_deg[image_number] = msg.mosaicity_deg.value_or(NAN);
b_factor[image_number] = msg.b_factor.value_or(NAN);
@@ -240,11 +233,13 @@ void HDF5DataFilePluginMX::WriteFinal(HDF5File &data_file) {
if (!indexed.empty())
data_file.SaveVector("/entry/MX/imageIndexed", indexed.vec());
if (!indexing_lattice_count.empty())
data_file.SaveVector("/entry/MX/indexingLatticeCount", indexing_lattice_count.vec());
if (!indexed_lattice.empty())
data_file.SaveVector("/entry/MX/latticeIndexed", indexed_lattice, {(hsize_t) (max_image_number + 1), 9})
->Units("Angstrom");
if (!extra_lattices.empty())
data_file.SaveVector("/entry/MX/extraLattices", extra_lattices,
data_file.SaveVector("/entry/MX/latticeIndexedExtra", extra_lattices,
{(hsize_t) (max_image_number + 1), (hsize_t) max_extra_lattices, 9})
->Units("Angstrom");