fix unit test

pymatgen/io/lobster/outputs.py

@@ -17,7 +17,7 @@
 import re
 import warnings
 from collections import defaultdict
-from typing import TYPE_CHECKING
+from typing import TYPE_CHECKING, cast
 
 import numpy as np
 from monty.io import zopen
@@ -30,6 +30,7 @@
 from pymatgen.io.vasp.inputs import Kpoints
 from pymatgen.io.vasp.outputs import Vasprun, VolumetricData
 from pymatgen.util.due import Doi, due
+from pymatgen.util.typing import PathLike
 
 if TYPE_CHECKING:
     from typing import Any, ClassVar, Literal
@@ -38,7 +39,7 @@
 
     from pymatgen.core.structure import IStructure
     from pymatgen.electronic_structure.cohp import IcohpCollection
-    from pymatgen.util.typing import PathLike, Tuple3Ints, Vector3D
+    from pymatgen.util.typing import Tuple3Ints, Vector3D
 
 __author__ = "Janine George, Marco Esters"
 __copyright__ = "Copyright 2017, The Materials Project"
@@ -531,7 +532,7 @@ def icohplist(self) -> dict[Any, dict[str, Any]]:
         return icohp_dict
 
     @property
-    def icohpcollection(self) -> IcohpCollection:
+    def icohpcollection(self) -> IcohpCollection | None:
         """The IcohpCollection object."""
         return self._icohpcollection
 
@@ -1079,7 +1080,7 @@ def _has_fatband(data: list[str]) -> bool:
         return False
 
     @staticmethod
-    def _get_dft_program(data: list[str]) -> str:
+    def _get_dft_program(data: list[str]) -> str | None:
         for row in data:
             splitrow = row.split()
             if len(splitrow) > 4 and splitrow[3] == "program...":
@@ -1230,15 +1231,15 @@ class Fatband:
 
     def __init__(
         self,
-        filenames: str | list = ".",
+        filenames: PathLike | list[PathLike] = ".",
         kpoints_file: PathLike = "KPOINTS",
         vasprun_file: PathLike | None = "vasprun.xml",
         structure: Structure | IStructure | None = None,
         efermi: float | None = None,
     ) -> None:
         """
         Args:
-            filenames (list or string): can be a list of file names or a path to a
+            filenames ( PathLike | list[PathLike]): File names or path to a
                 folder from which all "FATBAND_*" files will be read.
             kpoints_file (PathLike): KPOINTS file for bandstructure calculation, typically "KPOINTS".
             vasprun_file (PathLike): Corresponding vasprun.xml file. Instead, the
@@ -1272,7 +1273,7 @@ def __init__(
             self.efermi = efermi
         kpoints_object = Kpoints.from_file(kpoints_file)
 
-        atom_type = []  # TODO: DanielYang: this is not used?
+        # atom_type = []  # TODO: DanielYang: this is not used?
         atom_names = []
         orbital_names = []
         parameters = []
@@ -1285,15 +1286,17 @@ def __init__(
                 if fnmatch.fnmatch(name, "FATBAND_*.lobster"):
                     filenames_new += [os.path.join(filenames, name)]
             filenames = filenames_new
-        if len(filenames) == 0:
+
+        if len(cast(list[PathLike], filenames)) == 0:
             raise ValueError("No FATBAND files in folder or given")
+
         for name in filenames:
             with zopen(name, mode="rt") as file:
                 contents = file.read().split("\n")
 
             atom_names += [os.path.split(name)[1].split("_")[1].capitalize()]
             parameters = contents[0].split()
-            atom_type += [re.split(r"[0-9]+", parameters[3])[0].capitalize()]
+            # atom_type += [re.split(r"[0-9]+", parameters[3])[0].capitalize()]
             orbital_names += [parameters[4]]
 
         # Get atomtype orbital dict
@@ -1451,8 +1454,7 @@ class Bandoverlaps(MSONable):
     def __init__(
         self,
         filename: PathLike = "bandOverlaps.lobster",
-        band_overlaps_dict: dict[Any, dict]
-        | None = None,  # Any is spin number 1 or -1  # TODO: DanielYang: use Literal type
+        band_overlaps_dict: dict[Spin, dict] | None = None,
         max_deviation: list[float] | None = None,
     ) -> None:
         """
@@ -1481,12 +1483,13 @@ def __init__(
             self._filename = filename
             self._read(contents, spin_numbers)
 
-    def _read(self, contents: list[str], spin_numbers: list) -> None:
+    def _read(self, contents: list[str], spin_numbers: list[int]) -> None:
         """Read all contents of the file.
 
         Args:
             contents (list[str]): Contents of the file.
-            spin_numbers: list of spin numbers depending on LOBSTER version. # TODO: DanielYang: type for spin_numbers
+            # TODO: DanielYang: double-check spin_numbers type
+            spin_numbers (list[int]): Spin numbers depending on LOBSTER version.
         """
         spin: Spin = Spin.up
         kpoint_array: list = []
@@ -1698,6 +1701,7 @@ def _parse_file(
         reals = []
         imaginaries = []
         splitline = lines[0].split()
+        grid: Tuple3Ints = (int(splitline[7]), int(splitline[8]), int(splitline[9]))
 
         for line in lines[1:]:
             splitline = line.split()
@@ -1708,7 +1712,6 @@ def _parse_file(
                 reals.append(float(splitline[4]))
                 imaginaries.append(float(splitline[5]))
 
-        grid: Tuple3Ints = (int(splitline[7]), int(splitline[8]), int(splitline[9]))
         if len(reals) != grid[0] * grid[1] * grid[2] or len(imaginaries) != grid[0] * grid[1] * grid[2]:
             raise ValueError("Something went wrong while reading the file")