del parens around doc string return type

.pre-commit-config.yaml

@@ -8,13 +8,13 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.0.292
+    rev: v0.1.0
     hooks:
       - id: ruff
         args: [--fix]
 
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.4.0
+    rev: v4.5.0
     hooks:
       - id: check-yaml
       - id: end-of-file-fixer
@@ -26,7 +26,7 @@ repos:
       - id: black
 
   - repo: https://github.com/pre-commit/mirrors-mypy
-    rev: v1.5.1
+    rev: v1.6.0
     hooks:
       - id: mypy
 

pymatgen/analysis/local_env.py

@@ -1011,7 +1011,8 @@ def _extract_nn_info(self, structure: Structure, nns):
             nns ([dicts]): Nearest neighbor information for a structure
 
         Returns:
-            (list of tuples (Site, array, float)): See nn_info
+            list[tuple[PeriodicSite, np.ndarray, float]]: tuples of the form
+                (site, image, weight). See nn_info.
         """
         # Get the target information
         targets = structure.elements if self.targets is None else self.targets

pymatgen/analysis/surface_analysis.py

@@ -510,7 +510,7 @@ def wulff_from_chempot(
             no_clean (bool): Consider stability of doped slabs only.
 
         Returns:
-            (WulffShape): The WulffShape at u_ref and u_ads.
+            WulffShape: The WulffShape at u_ref and u_ads.
         """
         latt = SpacegroupAnalyzer(self.ucell_entry.structure).get_conventional_standard_structure().lattice
 
@@ -628,7 +628,7 @@ def get_surface_equilibrium(self, slab_entries, delu_dict=None):
                 format: Symbol("delu_el") where el is the name of the element.
 
         Returns:
-            (array): Array containing a solution to x equations with x
+            array: Array containing a solution to x equations with x
                 variables (x-1 chemical potential and 1 surface energy)
         """
         # Generate all possible coefficients
@@ -930,7 +930,7 @@ def chempot_vs_gamma(
             no_label (bool): Option to turn off labels.
 
         Returns:
-            (Plot): Plot of surface energy vs chempot for all entries.
+            Plot: Plot of surface energy vs chempot for all entries.
         """
         if delu_dict is None:
             delu_dict = {}
@@ -1011,7 +1011,7 @@ def monolayer_vs_BE(self, plot_eads=False):
                  energy multiplied by number of adsorbates) instead.
 
         Returns:
-            (Plot): Plot of binding energy vs monolayer for all facets.
+            Plot: Plot of binding energy vs monolayer for all facets.
         """
         ax = pretty_plot(width=8, height=7)
         for hkl in self.all_slab_entries:
@@ -1098,7 +1098,7 @@ def BE_vs_clean_SE(
                 eV/A^2 (False)
 
         Returns:
-            (Plot): Plot of clean surface energy vs binding energy for
+            Plot: Plot of clean surface energy vs binding energy for
                 all facets.
         """
         ax = pretty_plot(width=8, height=7)

pymatgen/core/lattice.py

@@ -1626,7 +1626,7 @@ def get_miller_index_from_coords(
             verbose (bool, optional): Whether to print warnings.
 
         Returns:
-            (tuple): The Miller index.
+            tuple: The Miller index.
         """
         if coords_are_cartesian:
             coords = [self.get_fractional_coords(c) for c in coords]  # type: ignore

pymatgen/core/structure.py

@@ -2246,7 +2246,7 @@ def get_miller_index_from_site_indexes(self, site_ids, round_dp=4, verbose=True)
             verbose (bool, optional): Whether to print warnings.
 
         Returns:
-            (tuple): The Miller index.
+            tuple: The Miller index.
         """
         return self.lattice.get_miller_index_from_coords(
             self.frac_coords[site_ids],

pymatgen/core/surface.py

@@ -635,7 +635,7 @@ def symmetrically_add_atom(self, specie, point, coords_are_cartesian=False):
             coords_are_cartesian (bool): Is the point in Cartesian coordinates
 
         Returns:
-            (Slab): The modified slab
+            Slab: The modified slab
         """
         # For now just use the species of the
         # surface atom as the element to add
@@ -1440,7 +1440,7 @@ def build_slabs(self):
             (4) Add any specified sites to both surfaces.
 
         Returns:
-            (Slab): The reconstructed slab.
+            Slab: The reconstructed slab.
         """
         slabs = self.get_unreconstructed_slabs()
         recon_slabs = []

pymatgen/electronic_structure/bandstructure.py

@@ -533,7 +533,7 @@ def get_kpoint_degeneracy(self, kpoint, cartesian=False, tol: float = 1e-2):
             tol (float): tolerance below which coordinates are considered equal.
 
         Returns:
-            (int or None): degeneracy or None if structure is not available
+            int | None: degeneracy or None if structure is not available
         """
         all_kpts = self.get_sym_eq_kpoints(kpoint, cartesian, tol=tol)
         if all_kpts is not None:

pymatgen/electronic_structure/dos.py

@@ -268,8 +268,7 @@ def get_interpolated_gap(self, tol: float = 0.001, abs_tol: bool = False, spin:
                 Down - finds the gap in the down spin channel.
 
         Returns:
-            (gap, cbm, vbm):
-                Tuple of floats in eV corresponding to the gap, cbm and vbm.
+            (gap, cbm, vbm): Tuple of floats in eV corresponding to the gap, cbm and vbm.
         """
         tdos = self.get_densities(spin)
         if not abs_tol:

pymatgen/io/abinit/variable.py

@@ -176,7 +176,7 @@ def format_list2d(values, float_decimal=0):
             if all(f == 0 or (abs(f) > 1e-3 and abs(f) < 1e4) for f in flattened_list):
                 fmt_spec = f">{n_dec + 5}.{n_dec}f"
             else:
-                fmt_spec = f">{n_dec + 8}.{n_dec}e"  # noqa: F841
+                fmt_spec = f">{n_dec + 8}.{n_dec}e"
 
         line = "\n"
         for lst in values:

pymatgen/symmetry/analyzer.py

@@ -123,15 +123,15 @@ def get_space_group_symbol(self) -> str:
         """Get the spacegroup symbol (e.g., Pnma) for structure.
 
         Returns:
-            (str): Spacegroup symbol for structure.
+            str: Spacegroup symbol for structure.
         """
         return self._space_group_data["international"]
 
     def get_space_group_number(self) -> int:
         """Get the international spacegroup number (e.g., 62) for structure.
 
         Returns:
-            (int): International spacegroup number for structure.
+            int: International spacegroup number for structure.
         """
         return int(self._space_group_data["number"])
 
@@ -151,15 +151,15 @@ def get_hall(self) -> str:
         """Returns Hall symbol for structure.
 
         Returns:
-            (str): Hall symbol
+            str: Hall symbol
         """
         return self._space_group_data["hall"]
 
     def get_point_group_symbol(self) -> str:
         """Get the point group associated with the structure.
 
         Returns:
-            (Pointgroup): Point group for structure.
+            Pointgroup: Point group for structure.
         """
         rotations = self._space_group_data["rotations"]
         # passing a 0-length rotations list to spglib can segfault
@@ -175,7 +175,7 @@ def get_crystal_system(self) -> CrystalSystem:
             ValueError: on invalid space group numbers < 1 or > 230.
 
         Returns:
-            (str): Crystal system for structure
+            str: Crystal system for structure
         """
         n = self._space_group_data["number"]
 
@@ -206,7 +206,7 @@ def get_lattice_type(self) -> LatticeType:
             ValueError: on invalid space group numbers < 1 or > 230.
 
         Returns:
-            (str): Lattice type for structure
+            str: Lattice type for structure
         """
         n = self._space_group_data["number"]
         system = self.get_crystal_system()

pymatgen/symmetry/groups.py

@@ -511,7 +511,7 @@ def __str__(self) -> str:
     def to_pretty_string(self) -> str:
         """
         Returns:
-            (str): A pretty string representation of the space group.
+            str: A pretty string representation of the space group.
         """
         return self.symbol