Avoid using __contains__ for spglib dataset

phonopy · Aug 22, 2024 · 504aa59 · 504aa59
1 parent 9f67977
commit 504aa59
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Showing 3 changed files with 6 additions and 8 deletions.
diff --git a/phonopy/interface/phonopy_yaml.py b/phonopy/interface/phonopy_yaml.py
@@ -458,12 +458,13 @@ def _symmetry_yaml_lines(self):
 
         dataset = self._data.symmetry.dataset
         if dataset is not None:
-            if "uni_number" in dataset:
+            try:
+                uni_number = dataset.uni_number
                 lines.append("magnetic_space_group:")
-                lines.append(f"  uni_number: {dataset.uni_number}")
+                lines.append(f"  uni_number: {uni_number}")
                 lines.append(f"  msg_type: {dataset.msg_type}")
                 lines.append("")
-            else:
+            except AttributeError:
                 lines.append("space_group:")
                 spg_type = dataset.international
                 lines.append(f'  type: "{spg_type}"')

diff --git a/phonopy/utils.py b/phonopy/utils.py
@@ -57,8 +57,4 @@ def get_dot_access_dataset(dataset):
     else:
         from types import SimpleNamespace
 
-        class MySimpleNamespace(SimpleNamespace):
-            def __contains__(self, key):
-                return key in self.__dict__
-
-        return MySimpleNamespace(**dataset)
+        return SimpleNamespace(**dataset)
diff --git a/test/conftest.py b/test/conftest.py
@@ -161,6 +161,7 @@ def ph_nacl_rd_symfc() -> Phonopy:
 
     """
     pytest.importorskip("symfc")
+    pytest.importorskip("spglib", minversion="2.5")
 
     yaml_filename = cwd / "phonopy_params_NaCl-rd.yaml.xz"
     return phonopy.load(