Add an error message if the species == 0

bjmorgan · Aug 10, 2022 · 16ad8a8 · 16ad8a8
1 parent d59e03a
commit 16ad8a8
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/kinisi/parser.py b/kinisi/parser.py
@@ -278,6 +278,8 @@ def get_indices(
                 indices.append(i)
             else:
                 framework_indices.append(i)
+        if len(indices) == 0:
+            raise ValueError("There are no species selected to calculate the mean-squared displacement of.")
         return indices, framework_indices