Add CCSD test to cif ensemble

bobleesj · Oct 27, 2024 · 57dd584 · 57dd584
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diff --git a/news/MP.rst b/news/MP.rst
@@ -1,6 +1,7 @@
 **Added:**
 
 * CifEnsemble support for ICSD, COD, MP files
+* Support CCDC CIF files
 
 **Changed:**
 

diff --git a/tests/core/models/test_cif_ensemble.py b/tests/core/models/test_cif_ensemble.py
@@ -521,6 +521,7 @@ def test_init_without_preprocessing(
         ("tests/data/cif/sources/MP", 2, {108: 1, 594: 1}),
         ("tests/data/cif/sources/PCD", 1, {364: 1}),
         ("tests/data/cif/sources/MS", 1, {2988: 1}),
+        ("tests/data/cif/sources/CCSD", 1, {3844: 1}),
     ],
 )
 @pytest.mark.fast