ruff linting fixes for magres parser

oerc0122 · Feb 12, 2025 · aa020de · aa020de
1 parent e0a838f
commit aa020de
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Showing 2 changed files with 5 additions and 4 deletions.
diff --git a/castep_outputs/parsers/magres_file_parser.py b/castep_outputs/parsers/magres_file_parser.py
@@ -8,7 +8,7 @@
 
 from ..utilities.datatypes import AtomIndex, ThreeByThreeMatrix, ThreeVector
 from ..utilities.filewrapper import Block
-from ..utilities.utility import add_aliases, determine_type, to_type, atreg_to_index
+from ..utilities.utility import add_aliases, atreg_to_index, determine_type, to_type
 
 MAGRES_ALIASES = {
         "ms": "magnetic_shielding",
@@ -70,6 +70,7 @@ class UnitsInfo(TypedDict):
 
 class MagresInfo(TypedDict):
     """NMR Magnetic response information."""
+
     #: Ion (atom) coordinates.
     ions: dict[AtomIndex, ThreeVector]
     calc_code: Literal["CASTEP"]
@@ -266,7 +267,7 @@ def _process_magres_old_block(block: Block) -> dict[str, str | ThreeByThreeMatri
     for match in coords_matches:
         index = atreg_to_index(match)
         if index not in found_atoms:
-            data["atoms"]["coords"][index] = to_type(match['val'].split(), float)
+            data["atoms"]["coords"][index] = to_type(match["val"].split(), float)
             found_atoms.add(index)
 
     perturbing_index = None

diff --git a/castep_outputs/utilities/castep_res.py b/castep_outputs/utilities/castep_res.py
@@ -516,12 +516,12 @@ def get_atom_parts(spec: str) -> dict[str, str]:
     ),
     # Magnetic shielding tensor
     "ms_tensor": re.compile(
-        rf"\s*(.*?) Shielding Tensor[\r\n]+{TENSOR_RE}"
+        rf"\s*(.*?) Shielding Tensor[\r\n]+{TENSOR_RE}",
     ),
     # Spin-Spin coupling tensor
     "isc_tensor": re.compile(
         r"\s{0,}J-coupling (.*?)[\r\n]+"
-        rf"{TENSOR_RE}"
+        rf"{TENSOR_RE}",
     ),
     # Electric field gradient tensor
     "efg_tensor": re.compile(