Fix mypy

FAIRmat-NFDI · Sep 27, 2024 · 776929e · 776929e · github-actions · Sep 27, 2024
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Showing 2 changed files with 5 additions and 4 deletions.
diff --git a/src/nomad_parser_wannier90/parsers/win_parser.py b/src/nomad_parser_wannier90/parsers/win_parser.py
@@ -161,7 +161,7 @@ def get_branch_label_and_atom_indices(
         atom: Union[str, int],
         atomic_cell: AtomicCell,
         units: str,
-    ) -> tuple[Optional[str], list[int]]:
+    ) -> tuple[str, list]:
         """
         Gets the branch label and the atom indices for the child model system.
 
@@ -179,8 +179,8 @@ def get_branch_label_and_atom_indices(
             return '', [atom]
 
         # 3 different cases to define in `win`
-        symbols = ''
-        indices = []
+        symbols: list[str] = []
+        indices: list[int] = []
         # If the atom is not a chemical element, we use the `_convert_position` method resolution for it, joining the `symbols` into a long string
         if atom.startswith('f='):  # fractional coordinates
             indices, symbols = self._get_f_information(
@@ -226,7 +226,7 @@ def populate_orbitals_state(
             return '', [atom]
 
         # Initial check for the `atom` and their `indices`
-        indices = []
+        indices: list[int] = []
         if atom.startswith('f='):
             indices, _ = self._get_f_information(
                 atom=atom, atomic_cell=atomic_cell, units=units

diff --git a/tests/test_parser.py b/tests/test_parser.py
@@ -210,6 +210,7 @@ def test_minimal_Pt_Vikrant(parser):
     assert simulation.model_method[0].m_def.name == 'Wannier'
     wannier = simulation.model_method[0]
     assert wannier.is_maximally_localized
+    # 's', 'p', 'd' deg orbitals used for all 4 Pt -> 4 * 3 = 12 orbitals * 3 Pt atoms per unit cell = 36
     assert wannier.n_orbitals == 36
     assert wannier.n_bloch_bands == 240
     assert np.isclose(wannier.energy_window_inner.magnitude, [8.80301, 11.80301]).all()
File	Stmts	Miss	Cover	Missing
src/nomad_parser_wannier90
__init__.py	4	2	50%	3–4
_version.py	11	2	82%	5–6
src/nomad_parser_wannier90/parsers
__init__.py	10	2	80%	24–26
band_parser.py	51	15	71%	4, 24, 50–51, 73–74, 77–78, 85–89, 98–99, 104–105
dos_parser.py	18	1	94%	13
hr_parser.py	48	9	81%	4, 28, 46–47, 59–60, 94–96
parser.py	224	38	83%	8–9, 215, 269–270, 310, 367–368, 385, 402, 419, 475–478, 508, 539–587
win_parser.py	121	24	80%	5, 35–36, 65, 145–147, 179, 186, 226, 231, 241–242, 252–253, 283–286, 293, 295–296, 300, 317–321
src/nomad_parser_wannier90/parsers/utils
utils.py	29	13	55%	4, 35–37, 56–71
src/nomad_parser_wannier90/schema_packages
__init__.py	8	2	75%	9–11
package.py	5	5	0%	1–11
TOTAL	530	113	79%