[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

dpdata/system.py

@@ -20,7 +20,13 @@
 from dpdata.driver import Driver, Minimizer
 from dpdata.format import Format
 from dpdata.plugin import Plugin
-from dpdata.utils import add_atom_names, elements_index_map, remove_pbc, sort_atom_names, utf8len
+from dpdata.utils import (
+    add_atom_names,
+    elements_index_map,
+    remove_pbc,
+    sort_atom_names,
+    utf8len,
+)
 
 
 def load_format(fmt):
@@ -566,13 +572,15 @@ def uniq_formula(self):
     @property
     def short_formula(self) -> str:
         """Return the short formula of this system. Elements with zero number
-        will be removed."""
+        will be removed.
+        """
         return "".join(
             [
                 f"{symbol}{numb}"
                 for symbol, numb in zip(
                     self.data["atom_names"], self.data["atom_numbs"]
-                ) if numb
+                )
+                if numb
             ]
         )
 
@@ -587,7 +595,7 @@ def short_name(self) -> str:
         the following order:
             - formula
             - short_formula
-            - formula_hash
+            - formula_hash.
         """
         formula = self.formula
         if utf8len(formula) <= 255:
@@ -1282,7 +1290,9 @@ def from_fmt_obj(self, fmtobj, directory, labeled=True, **kwargs):
     def to_fmt_obj(self, fmtobj, directory, *args, **kwargs):
         if not isinstance(fmtobj, dpdata.plugins.deepmd.DeePMDMixedFormat):
             for fn, ss in zip(
-                fmtobj.to_multi_systems([ss.short_name for ss in self.systems.values()], directory, **kwargs),
+                fmtobj.to_multi_systems(
+                    [ss.short_name for ss in self.systems.values()], directory, **kwargs
+                ),
                 self.systems.values(),
             ):
                 ss.to_fmt_obj(fmtobj, fn, *args, **kwargs)

dpdata/utils.py

@@ -103,4 +103,4 @@ def uniq_atom_names(data):
 
 def utf8len(s: str) -> int:
     """Return the byte length of a string."""
-    return len(s.encode('utf-8'))
+    return len(s.encode("utf-8"))

tests/test_multisystems.py

@@ -4,7 +4,6 @@
 from itertools import permutations
 
 import numpy as np
-
 from comp_sys import CompLabeledSys, IsNoPBC, MultiSystems
 from context import dpdata
 
@@ -206,7 +205,7 @@ def setUp(self):
 class TestLongFilename(unittest.TestCase):
     def test_long_filename1(self):
         system = dpdata.System(
-            data = {
+            data={
                 "atom_names": [f"TYPE{ii}" for ii in range(200)],
                 "atom_numbs": [1] + [0 for _ in range(199)],
                 "atom_types": np.arange(1),
@@ -221,7 +220,7 @@ def test_long_filename1(self):
 
     def test_long_filename2(self):
         system = dpdata.System(
-            data = {
+            data={
                 "atom_names": [f"TYPE{ii}" for ii in range(200)],
                 "atom_numbs": [1 for _ in range(200)],
                 "atom_types": np.arange(200),
@@ -234,5 +233,6 @@ def test_long_filename2(self):
         with tempfile.TemporaryDirectory() as tmpdir:
             ms.to_deepmd_npy(tmpdir)
 
+
 if __name__ == "__main__":
     unittest.main()