Fixed bug where SS and Rg metrics only computed for subset of diffused atoms

The code was set up to always compute SS and Rg metrics for the diffused parts only, regardless of whether `compute_non_clash_metrics_for_diffused_region_only` was set to True/False.

Author: nickjf

models/rfd3/src/rfd3/metrics/design_metrics.py

@@ -135,14 +135,13 @@ def get_all_backbone_metrics(
     )
 
     if verbose:
+        
         if compute_non_clash_metrics_for_diffused_region_only:
             # Subset to diffused region only
             atom_array = atom_array[~atom_array.is_motif_atom_with_fixed_coord]
 
-        # ... Add additional metrics
-        o |= get_ss_metrics_and_rg(
-            atom_array[~atom_array.is_motif_atom_with_fixed_coord]
-        )
+        # SS and Rg metrics
+        o |= get_ss_metrics_and_rg(atom_array)
 
         # Basic compositional statistics
         starts = get_token_starts(atom_array)