Merge pull request #248 from pyiron/sd2

Use dataclass interface to spglib symmetry
pyiron · Aug 28, 2024 · c489507 · c489507
2 parents fcb4ade + eadcf10
commit c489507
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/structuretoolkit/analyse/symmetry.py b/structuretoolkit/analyse/symmetry.py
@@ -3,6 +3,7 @@
 # Distributed under the terms of "New BSD License", see the LICENSE file.
 
 import ast
+import dataclasses
 import string
 from functools import cached_property
 from typing import Optional
@@ -348,6 +349,8 @@ def info(self):
         )
         if info is None:
             raise SymmetryError(spglib.spglib.spglib_error.message)
+        if dataclasses.is_dataclass(info):
+            info = dataclasses.asdict(info)
         return info
 
     @property