HKLKeyGenerator: Make HKLKeyGenerator having already prebuilt gemmi data structures

2026-05-12 19:38:15 +02:00
parent e45d1ff4d3
commit 2fa9293fda
6 changed files with 26 additions and 18 deletions
@@ -41,7 +41,7 @@ namespace {

        auto scaling_settings = x.GetScalingSettings();

-        HKLKeyGenerator key_generator(scaling_settings.GetMergeFriedel(), x.GetGemmiSpaceGroup() );
+        HKLKeyGenerator key_generator(scaling_settings.GetMergeFriedel(), x.GetSpaceGroupNumber().value_or(1) );

        for (const auto &image: observations) {
            for (const auto &r: image) {