New crystalform and assemblies documentation

xchem · Oct 9, 2023 · 57d15b6 · 57d15b6
1 parent 850ff76
commit 57d15b6
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/xchemalign/aligner.py b/xchemalign/aligner.py
@@ -329,6 +329,9 @@ def _perform_alignments(self, meta):
 
         # Get the datasets
         datasets, reference_datasets, new_datasets = get_datasets_from_crystals(crystals, self.base_dir)
+        print(datasets)
+        raise Exception
+
 
         # Get assemblies
         if source_fs_model: