jfjoch_process: Add space group number handling

2026-05-11 13:06:28 +02:00
parent b53f0d6474
commit 9ec8ebcde8
1 changed files with 2 additions and 1 deletions
@@ -141,7 +141,7 @@ int main(int argc, char **argv) {
    bool refine_beam_center = true;
    bool run_scaling = false;
    bool anomalous_mode = false;
-    std::optional<int> space_group_number;
+    std::optional<int64_t> space_group_number;
    std::optional<UnitCell> fixed_reference_unit_cell;
    std::optional<int64_t> max_spot_count_override;
    float sigma_spot_finding = 3.0;
@@ -328,6 +328,7 @@ int main(int argc, char **argv) {
    experiment.OverwriteExistingFiles(true);
    experiment.PolarizationFactor(0.99);
    experiment.SetFileWriterFormat(FileWriterFormat::NXmxLegacy);
+    experiment.SpaceGroupNumber(space_group_number);

    if (fixed_reference_unit_cell.has_value())
        experiment.SetUnitCell(*fixed_reference_unit_cell);