fix bad merge behaviour

Author: DanielYang59

src/pymatgen/util/testing.py

@@ -8,7 +8,7 @@
 from __future__ import annotations
 
 import json
-import pickle  # use pickle, not cPickle so that we get the traceback in case of errors
+import pickle  # use pickle over cPickle to get traceback in case of errors
 import string
 from pathlib import Path
 from typing import TYPE_CHECKING
@@ -19,12 +19,15 @@
 from monty.json import MontyDecoder, MontyEncoder, MSONable
 from monty.serialization import loadfn
 
-from pymatgen.core import ROOT, SETTINGS, Structure
+from pymatgen.core import ROOT, SETTINGS
 
 if TYPE_CHECKING:
     from collections.abc import Sequence
     from typing import Any, ClassVar
 
+    from pymatgen.core import Structure
+    from pymatgen.util.typing import PathLike
+
 _MODULE_DIR: Path = Path(__file__).absolute().parent
 
 STRUCTURES_DIR: Path = _MODULE_DIR / "structures"
@@ -33,10 +36,10 @@
 VASP_IN_DIR: str = f"{TEST_FILES_DIR}/io/vasp/inputs"
 VASP_OUT_DIR: str = f"{TEST_FILES_DIR}/io/vasp/outputs"
 
-# fake POTCARs have original header information, meaning properties like number of electrons,
+# Fake POTCARs have original header information, meaning properties like number of electrons,
 # nuclear charge, core radii, etc. are unchanged (important for testing) while values of the and
 # pseudopotential kinetic energy corrections are scrambled to avoid VASP copyright infringement
-FAKE_POTCAR_DIR = f"{VASP_IN_DIR}/fake_potcars"
+FAKE_POTCAR_DIR: str = f"{VASP_IN_DIR}/fake_potcars"
 
 
 class MatSciTest:
@@ -50,36 +53,53 @@ class MatSciTest:
     """
 
     # dict of lazily-loaded test structures (initialized to None)
-    TEST_STRUCTURES: ClassVar[dict[str | Path, Structure | None]] = dict.fromkeys(STRUCTURES_DIR.glob("*"))
+    TEST_STRUCTURES: ClassVar[dict[PathLike, Structure | None]] = dict.fromkeys(STRUCTURES_DIR.glob("*"))
 
-    @pytest.fixture(autouse=True)  # make all tests run a in a temporary directory accessible via self.tmp_path
+    @pytest.fixture(autouse=True)
     def _tmp_dir(self, tmp_path: Path, monkeypatch: pytest.MonkeyPatch) -> None:
-        # https://pytest.org/en/latest/how-to/unittest.html#using-autouse-fixtures-and-accessing-other-fixtures
-        monkeypatch.chdir(tmp_path)  # change to pytest-provided temporary directory
-        self.tmp_path = tmp_path
+        """Make all tests run a in a temporary directory accessible via self.tmp_path.
 
-    @classmethod
-    def get_structure(cls, name: str) -> Structure:
+        References:
+            https://docs.pytest.org/en/stable/how-to/tmp_path.html
         """
-        Load a structure from `pymatgen.util.structures`.
+        monkeypatch.chdir(tmp_path)  # change to temporary directory
+        self.tmp_path = tmp_path
+
+    @staticmethod
+    def assert_msonable(obj: MSONable, test_is_subclass: bool = True) -> str:
+        """Test if an object is MSONable and verify the contract is fulfilled,
+        and return the serialized object.
+
+        By default, the method tests whether obj is an instance of MSONable.
+        This check can be deactivated by setting `test_is_subclass` to False.
 
         Args:
-            name (str): Name of the structure file, for example "LiFePO4".
+            obj (Any): The object to be checked.
+            test_is_subclass (bool): Check if object is an instance of MSONable
+                or its subclasses.
 
         Returns:
-            Structure
+            str: Serialized object.
         """
-        try:
-            struct = cls.TEST_STRUCTURES.get(name) or loadfn(f"{STRUCTURES_DIR}/{name}.json")
-        except FileNotFoundError as exc:
-            raise FileNotFoundError(f"structure for {name} doesn't exist") from exc
+        obj_name = obj.__class__.__name__
 
-        cls.TEST_STRUCTURES[name] = struct
+        # Check if is an instance of MONable (or its subclasses)
+        if test_is_subclass and not isinstance(obj, MSONable):
+            raise TypeError(f"{obj_name} object is not MSONable")
 
-        return struct.copy()
+        # Check if the object can be accurately reconstructed from its dict representation
+        if obj.as_dict() != type(obj).from_dict(obj.as_dict()).as_dict():
+            raise ValueError(f"{obj_name} object could not be reconstructed accurately from its dict representation.")
+
+        # Verify that the deserialized object's class is a subclass of the original object's class
+        json_str = json.dumps(obj.as_dict(), cls=MontyEncoder)
+        round_trip = json.loads(json_str, cls=MontyDecoder)
+        if not issubclass(type(round_trip), type(obj)):
+            raise TypeError(f"The reconstructed {round_trip.__class__.__name__} object is not a subclass of {obj_name}")
+        return json_str
 
     @staticmethod
-    def assert_str_content_equal(actual, expected):
+    def assert_str_content_equal(actual: str, expected: str) -> None:
         """Test if two strings are equal, ignoring whitespaces.
 
         Args:
@@ -99,7 +119,32 @@ def assert_str_content_equal(actual, expected):
                 f"{expected}\n"
             )
 
-    def serialize_with_pickle(self, objects: Any, protocols: Sequence[int] | None = None, test_eq: bool = True):
+    @classmethod
+    def get_structure(cls, name: str) -> Structure:
+        """
+        Load a structure from `pymatgen.util.structures`.
+
+        Args:
+            name (str): Name of the structure file, for example "LiFePO4".
+
+        Returns:
+            Structure
+        """
+        try:
+            struct = cls.TEST_STRUCTURES.get(name) or loadfn(f"{STRUCTURES_DIR}/{name}.json")
+        except FileNotFoundError as exc:
+            raise FileNotFoundError(f"structure for {name} doesn't exist") from exc
+
+        cls.TEST_STRUCTURES[name] = struct
+
+        return struct.copy()
+
+    def serialize_with_pickle(
+        self,
+        objects: Any,
+        protocols: Sequence[int] | None = None,
+        test_eq: bool = True,
+    ):
         """Test whether the object(s) can be serialized and deserialized with
         `pickle`. This method tries to serialize the objects with `pickle` and the
         protocols specified in input. Then it deserializes the pickled format
@@ -163,38 +208,6 @@ def serialize_with_pickle(self, objects: Any, protocols: Sequence[int] | None =
             return [o[0] for o in objects_by_protocol]
         return objects_by_protocol
 
-    def assert_msonable(self, obj: MSONable, test_is_subclass: bool = True) -> str:
-        """Test if an object is MSONable and verify the contract is fulfilled,
-        and return the serialized object.
-
-        By default, the method tests whether obj is an instance of MSONable.
-        This check can be deactivated by setting `test_is_subclass` to False.
-
-        Args:
-            obj (Any): The object to be checked.
-            test_is_subclass (bool): Check if object is an instance of MSONable
-                or its subclasses.
-
-        Returns:
-            str: Serialized object.
-        """
-        obj_name = obj.__class__.__name__
-
-        # Check if is an instance of MONable (or its subclasses)
-        if test_is_subclass and not isinstance(obj, MSONable):
-            raise TypeError(f"{obj_name} object is not MSONable")
-
-        # Check if the object can be accurately reconstructed from its dict representation
-        if obj.as_dict() != type(obj).from_dict(obj.as_dict()).as_dict():
-            raise ValueError(f"{obj_name} object could not be reconstructed accurately from its dict representation.")
-
-        # Verify that the deserialized object's class is a subclass of the original object's class
-        json_str = json.dumps(obj.as_dict(), cls=MontyEncoder)
-        round_trip = json.loads(json_str, cls=MontyDecoder)
-        if not issubclass(type(round_trip), type(obj)):
-            raise TypeError(f"The reconstructed {round_trip.__class__.__name__} object is not a subclass of {obj_name}")
-        return json_str
-
 
 @deprecated(MatSciTest, deadline=(2026, 1, 1))
 class PymatgenTest(TestCase, MatSciTest):