fix return types

materialsproject · Mar 11, 2025 · 7ffec98 · 7ffec98
1 parent 0b4d315
commit 7ffec98
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/src/pymatgen/core/structure.py b/src/pymatgen/core/structure.py
@@ -3296,14 +3296,14 @@ def from_file(
         struct.__class__ = cls
         return struct
 
-    def from_ase_atoms(self, **kwargs) -> Self:
+    def from_ase_atoms(self, **kwargs) -> Structure:
         """Convert ase.Atoms to pymatgen Structure.
 
         Args:
             kwargs: Passed to AseAtomsAdaptor.get_structure.
 
         Returns:
-            IStructure
+            Structure
         """
         from pymatgen.io.ase import AseAtomsAdaptor
 
@@ -4133,14 +4133,14 @@ def from_file(cls, filename: PathLike) -> Self | None:
             return new
         raise ValueError("Cannot determine file type.")
 
-    def from_ase_atoms(self, **kwargs) -> Self:
+    def from_ase_atoms(self, **kwargs) -> Molecule:
         """Convert ase.Atoms to pymatgen Molecule.
 
         Args:
             kwargs: Passed to AseAtomsAdaptor.get_molecule.
 
         Returns:
-            IMolecule
+            Molecule
         """
         from pymatgen.io.ase import AseAtomsAdaptor
 

diff --git a/tests/core/test_structure.py b/tests/core/test_structure.py
@@ -2104,7 +2104,7 @@ def test_to_conventional(self):
         assert struct.formula == "Dy8 Sb6"
         assert conventional.formula == "Dy16 Sb12"
 
-    def test_to_ase_atoms(self):
+    def test_to_from_ase_atoms(self):
         pytest.importorskip("ase")
         atoms = self.struct.to_ase_atoms()
         assert isinstance(atoms, Atoms)