Added some testing

xchem · Aug 25, 2023 · 5ae3a11 · 5ae3a11
1 parent f9f43d8
commit 5ae3a11
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/xchemalign/aligner.py b/xchemalign/aligner.py
@@ -599,7 +599,8 @@ def _perform_alignments(self, meta):
 
         new_meta[Constants.META_TRANSFORMS] = {}
         print(new_meta[Constants.META_REFERENCE_ALIGNMENTS])
-        raise Exception
+        if len(fs_model.reference_alignments) > 1:
+            raise Exception
 
         ## Get the observation to conformer site transforms
         ligand_neighbourhood_transforms = read_yaml(fs_model.ligand_neighbourhood_transforms)