fix pyright

deepmodeling · Jun 5, 2024 · b3e18ae · b3e18ae
2 parents c7bf8fc + 54c7c98
commit b3e18ae
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Showing 2 changed files with 17 additions and 6 deletions.
diff --git a/dpdata/system.py b/dpdata/system.py
@@ -776,7 +776,9 @@ def replicate(self, ncopy: list[int] | tuple[int, int, int]):
         tmp.data["atom_numbs"] = list(
             np.array(np.copy(data["atom_numbs"])) * np.prod(ncopy)
         )
-        tmp.data["atom_types"] = np.tile(np.copy(data["atom_types"]), (int(np.prod(ncopy)),) + (1,))
+        tmp.data["atom_types"] = np.tile(
+            np.copy(data["atom_types"]), (int(np.prod(ncopy)),) + (1,)
+        )
         tmp.data["atom_types"] = np.transpose(tmp.data["atom_types"]).reshape([-1])
 
         tmp.data["cells"] = np.copy(data["cells"])

diff --git a/tests/test_replicate.py b/tests/test_replicate.py
@@ -36,22 +36,31 @@ def setUp(self):
         self.system_2 = dpdata.System("poscars/POSCAR.SiC", fmt="vasp/poscar")
         self.places = 6
 
+
 class TestReplicateTriclinicBox(unittest.TestCase, CompSys, IsPBC):
     def setUp(self):
         self.system_1 = dpdata.System()
         self.system_1.data["atom_names"] = ["foo", "bar"]
         self.system_1.data["atom_types"] = np.array([1, 0], dtype=int)
         self.system_1.data["atom_numbs"] = [1, 1]
-        self.system_1.data["cells"] = np.array([10, 0, 0, 0, 10, 0, 0, 0, 10], dtype=float).reshape(1,3,3)
-        self.system_1.data["coords"] = np.array([0, 0, 0, 0, 0, 1], dtype=float).reshape(1,2,3)
-        self.system_1 = self.system_1.replicate([2,1,1])
+        self.system_1.data["cells"] = np.array(
+            [10, 0, 0, 0, 10, 0, 0, 0, 10], dtype=float
+        ).reshape(1, 3, 3)
+        self.system_1.data["coords"] = np.array(
+            [0, 0, 0, 0, 0, 1], dtype=float
+        ).reshape(1, 2, 3)
+        self.system_1 = self.system_1.replicate([2, 1, 1])
 
         self.system_2 = dpdata.System()
         self.system_2.data["atom_names"] = ["foo", "bar"]
         self.system_2.data["atom_types"] = np.array([1, 1, 0, 0], dtype=int)
         self.system_2.data["atom_numbs"] = [2, 2]
-        self.system_2.data["cells"] = np.array([20, 0, 0, 0, 10, 0, 0, 0, 10], dtype=float).reshape(1,3,3)
-        self.system_2.data["coords"] = np.array([0, 0, 0, 10, 0, 0, 0, 0, 1, 10, 0, 1], dtype=float).reshape(1,4,3)
+        self.system_2.data["cells"] = np.array(
+            [20, 0, 0, 0, 10, 0, 0, 0, 10], dtype=float
+        ).reshape(1, 3, 3)
+        self.system_2.data["coords"] = np.array(
+            [0, 0, 0, 10, 0, 0, 0, 0, 1, 10, 0, 1], dtype=float
+        ).reshape(1, 4, 3)
         self.places = 6