Update docs/source/user_guide/python.rst

Co-authored-by: Jacob Wilkins <[email protected]>
stfc · Nov 8, 2024 · ee72b37 · ee72b37
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diff --git a/docs/source/user_guide/python.rst b/docs/source/user_guide/python.rst
@@ -14,7 +14,7 @@ Jupyter Notebook tutorials illustrating the use of currently available calculati
 Calculation outputs
 ===================
 
-By default, calculations performed will modify the underlying `ase.Atoms <https://wiki.fysik.dtu.dk/ase/ase/atoms.html>`_ object
+By default, calculations performed will modify the underlying :class:`ase.Atoms` object
 to store information in the ``Atoms.info`` and ``Atoms.arrays`` dictionaries about the MLIP used.
 
 Additional dictionary keys include ``arch``, corresponding to the MLIP architecture used,

diff --git a/tests/test_singlepoint_cli.py b/tests/test_singlepoint_cli.py
@@ -53,11 +53,11 @@ def test_singlepoint():
         assert summary_path.exists
 
     finally:
-        # Check atoms can read read, then delete file
         # Ensure files deleted if command fails
         log_path.unlink(missing_ok=True)
         summary_path.unlink(missing_ok=True)
 
+        # Check atoms file can be read, then delete
         atoms = read_atoms(results_path)
         assert "mace_mp_energy" in atoms.info