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

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

Author: pre-commit-ci[bot]

tests/test_type_map_utils.py

@@ -3,7 +3,6 @@
 import unittest
 
 import numpy as np
-from context import dpdata
 
 from dpdata.utils import sort_atom_names
 
@@ -18,11 +17,11 @@ def test_sort_atom_names_type_map(self):
         }
         type_map = ["O", "H"]
         result = sort_atom_names(data, type_map=type_map)
-        
+
         self.assertEqual(result["atom_names"], ["O", "H"])
         self.assertEqual(result["atom_numbs"], [1, 2])
         np.testing.assert_array_equal(result["atom_types"], np.array([0, 1, 1]))
-    
+
     def test_sort_atom_names_type_map_with_zero_atoms(self):
         # Test with type_map that includes elements with zero atoms
         data = {
@@ -32,11 +31,11 @@ def test_sort_atom_names_type_map_with_zero_atoms(self):
         }
         type_map = ["O", "H", "C"]  # C is not in atom_names but in type_map
         result = sort_atom_names(data, type_map=type_map)
-        
+
         self.assertEqual(result["atom_names"], ["O", "H", "C"])
         self.assertEqual(result["atom_numbs"], [1, 2, 0])
         np.testing.assert_array_equal(result["atom_types"], np.array([0, 1, 1]))
-    
+
     def test_sort_atom_names_type_map_missing_active_types(self):
         # Test that ValueError is raised when active atom types are missing from type_map
         data = {
@@ -45,14 +44,14 @@ def test_sort_atom_names_type_map_missing_active_types(self):
             "atom_types": np.array([1, 0, 0]),
         }
         type_map = ["H"]  # O is active but missing from type_map
-        
+
         with self.assertRaises(ValueError) as cm:
             sort_atom_names(data, type_map=type_map)
-        
+
         self.assertIn("Active atom types", str(cm.exception))
         self.assertIn("not in provided type_map", str(cm.exception))
         self.assertIn("O", str(cm.exception))
-    
+
     def test_sort_atom_names_without_type_map(self):
         # Test sorting without type_map (alphabetical order)
         data = {
@@ -61,7 +60,7 @@ def test_sort_atom_names_without_type_map(self):
             "atom_types": np.array([0, 1, 2, 2]),
         }
         result = sort_atom_names(data)
-        
+
         self.assertEqual(result["atom_names"], ["H", "O", "Zn"])
         self.assertEqual(result["atom_numbs"], [2, 1, 1])
         np.testing.assert_array_equal(result["atom_types"], np.array([2, 1, 0, 0]))
@@ -76,11 +75,11 @@ def test_sort_atom_names_with_zero_count_elements_removed(self):
         }
         type_map = ["O", "C"]  # A is omitted because it has 0 atoms
         result = sort_atom_names(data, type_map=type_map)
-        
+
         self.assertEqual(result["atom_names"], ["O", "C"])
         self.assertEqual(result["atom_numbs"], [1, 2])
         np.testing.assert_array_equal(result["atom_types"], np.array([0, 1, 1]))
 
 
 if __name__ == "__main__":
-    unittest.main()
+    unittest.main()