fix hash of SymmOp

DanielYang59 · May 14, 2024 · bf2a953 · bf2a953
1 parent 41e5851
commit bf2a953
Show file tree

Hide file tree

Showing 2 changed files with 4 additions and 1 deletion.
diff --git a/pymatgen/core/operations.py b/pymatgen/core/operations.py
@@ -64,7 +64,7 @@ def __eq__(self, other: object) -> bool:
         return np.allclose(self.affine_matrix, other.affine_matrix, atol=self.tol)
 
     def __hash__(self) -> int:
-        return 7  # DEBUG (DanielYang59): magic hash
+        return hash((tuple(map(tuple, self.affine_matrix)), self.tol))
 
     def __repr__(self) -> str:
         affine_matrix = self.affine_matrix

diff --git a/tests/core/test_operations.py b/tests/core/test_operations.py
@@ -12,6 +12,9 @@ class TestSymmOp(PymatgenTest):
     def setUp(self):
         self.op = SymmOp.from_axis_angle_and_translation([0, 0, 1], 30, translation_vec=[0, 0, 1])
 
+    def test_hash(self):
+        assert hash(self.op) == 2248719638412467238
+
     def test_properties(self):
         rot = self.op.rotation_matrix
         vec = self.op.translation_vector