HKLKeyGenerator: Make HKLKeyGenerator having already prebuilt gemmi data structures

image_analysis/scale_merge/ScaleOnTheFly.cpp

@@ -92,10 +92,10 @@ ScaleOnTheFly::ScaleOnTheFly(const std::vector<MergedReflection> &ref, const Dif
       model(x.GetPartialityModel()),
       s(x.GetScalingSettings()),
       rot_wedge_deg(x.GetRotationWedgeForScaling()),
-      refine_rot_wedge(x.GetRefineRotationWedgeInScaling()) {
-    const HKLKeyGenerator key_generator(s.GetMergeFriedel(), sg);
+      refine_rot_wedge(x.GetRefineRotationWedgeInScaling()),
+      hkl_key_generator(s.GetMergeFriedel(), x.GetSpaceGroupNumber().value_or(1)) {
     for (const auto &r: ref) {
-        const auto key = key_generator(r);
+        const auto key = hkl_key_generator(r);
         reference_data[key] = r.I;
     }
 }
@@ -137,13 +137,12 @@ ScaleOnTheFlyResult ScaleOnTheFly::Scale(std::vector<Reflection> &reflections, s
     }
 
     size_t n_reflections = 0;
-    HKLKeyGenerator key_generator(s.GetMergeFriedel(), sg);
     for (const auto &r: reflections) {
-        const HKLKey key = key_generator(r);
-
         if (!Accept(r))
             continue;
 
+        const HKLKey key = hkl_key_generator(r);
+
         if (!reference_data.contains(key))
             continue;