fix all ruff DOC202

https://docs.astral.sh/ruff/rules/docstring-extraneous-returns/

Author: janosh

src/pymatgen/analysis/chemenv/connectivity/connected_components.py

@@ -211,9 +211,6 @@ def __init__(
             environments_data: Data of environment nodes.
             links_data: Data of links between environment nodes.
             graph: Graph of the connected component.
-
-        Returns:
-            ConnectedComponent: Instance of this class
         """
         self._periodicity_vectors: list[list] | None = None
         self._primitive_reduced_connected_subgraph = None

src/pymatgen/analysis/chemenv/coordination_environments/voronoi.py

@@ -563,14 +563,14 @@ def maps_and_surfaces(
         maps_and_surfaces = []
         for cn, value in self._unique_coordinated_neighbors_parameters_indices[isite].items():
             for imap, list_parameters_indices in enumerate(value):
-                thissurf = 0.0
+                this_surf = 0.0
                 for idp, iap, iacb in list_parameters_indices:
                     if iacb in additional_conditions:
-                        thissurf += surfaces[idp, iap]
+                        this_surf += surfaces[idp, iap]
                 maps_and_surfaces.append(
                     {
                         "map": (cn, imap),
-                        "surface": thissurf,
+                        "surface": this_surf,
                         "parameters_indices": list_parameters_indices,
                     }
                 )
@@ -596,14 +596,14 @@ def maps_and_surfaces_bounded(self, isite, surface_calculation_options=None, add
         maps_and_surfaces = []
         for cn, value in self._unique_coordinated_neighbors_parameters_indices[isite].items():
             for imap, list_parameters_indices in enumerate(value):
-                thissurf = 0.0
+                this_surf = 0.0
                 for idp, iap, iacb in list_parameters_indices:
                     if iacb in additional_conditions:
-                        thissurf += surfaces[idp, iap]
+                        this_surf += surfaces[idp, iap]
                 maps_and_surfaces.append(
                     {
                         "map": (cn, imap),
-                        "surface": thissurf,
+                        "surface": this_surf,
                         "parameters_indices": list_parameters_indices,
                     }
                 )

src/pymatgen/analysis/interfaces/zsl.py

@@ -108,7 +108,7 @@ def __init__(
         self.max_angle_tol = max_angle_tol
         self.bidirectional = bidirectional
 
-    def generate_sl_transformation_sets(self, film_area, substrate_area):
+    def generate_sl_transformation_sets(self, film_area: int, substrate_area: int) -> Iterator[tuple]:
         """Generate transformation sets for film/substrate pair given the
         area of the unit cell area for the film and substrate. The
         transformation sets map the film and substrate unit cells to super
@@ -118,7 +118,7 @@ def generate_sl_transformation_sets(self, film_area, substrate_area):
             film_area (int): the unit cell area for the film
             substrate_area (int): the unit cell area for the substrate
 
-        Returns:
+        Yields:
             transformation_sets: a set of transformation_sets defined as:
                 1.) the transformation matrices for the film to create a
                 super lattice of area i*film area

src/pymatgen/analysis/piezo_sensitivity.py

@@ -178,25 +178,24 @@ def __init__(self, structure: Structure, ist, pointops, tol: float = 1e-3):
         self.structure = structure
         self.ist = ist
         self.pointops = pointops
-        self.IST_operations = None
+        self.IST_operations: list[list[list]] = []
 
         obj = self.ist
         if not (obj - np.transpose(obj, (0, 1, 3, 2)) < tol).all():
             warnings.warn("Input internal strain tensor does not satisfy standard symmetries")
 
-    def get_IST_operations(self, opstol=1e-3):
+    def get_IST_operations(self, opstol=1e-3) -> list[list[list]]:
         """Get the symmetry operations which maps the tensors
         belonging to equivalent sites onto each other in the form
-        [site index 1, site index 2, [Symmops mapping from site
+        [site index 1, site index 2, [SymmOps mapping from site
         index 1 to site index 2]].
 
         Args:
             opstol (float): tolerance for determining if a symmetry
             operation relates two sites
 
         Returns:
-            list of symmetry operations mapping equivalent sites and
-            the indexes of those sites.
+            list[list[list]]: symmetry operations mapping equivalent sites and the indexes of those sites.
         """
         struct = self.structure
         ops = SpacegroupAnalyzer(struct).get_symmetry_operations(cartesian=True)
@@ -207,18 +206,19 @@ def get_IST_operations(self, opstol=1e-3):
                 if op not in uniq_point_ops:
                     uniq_point_ops.append(op)
 
-        IST_operations = []
-        for atom in range(len(self.ist)):
+        IST_operations: list[list[list]] = []
+        for atom_idx in range(len(self.ist)):
             IST_operations.append([])
-            for j in range(atom):
+            for j in range(atom_idx):
                 for op in uniq_point_ops:
                     new = op.transform_tensor(self.ist[j])
 
                     # Check the matrix it references
-                    if np.allclose(new, self.ist[atom], atol=opstol):
-                        IST_operations[atom].append([j, op])
+                    if np.allclose(new, self.ist[atom_idx], atol=opstol):
+                        IST_operations[atom_idx].append([j, op])
 
         self.IST_operations = IST_operations
+        return IST_operations
 
     def get_rand_IST(self, max_force=1):
         """Generate a random internal strain tensor which obeys a structure's

src/pymatgen/core/composition.py

@@ -1099,7 +1099,7 @@ def _comps_from_fuzzy_formula(
             factor: Coefficient for this parse, e.g. (PO4)2 will feed in PO4
                 as the fuzzy_formula with a coefficient of 2.
 
-        Returns:
+        Yields:
             list[tuple[Composition, int]]: A list of tuples, with the first element being a Composition
                 and the second element being the number of points awarded that Composition interpretation.
         """

src/pymatgen/ext/matproj_legacy.py

@@ -1035,7 +1035,7 @@ def submit_structures(
         data=None,
         histories=None,
         created_at=None,
-    ):
+    ) -> list[str]:
         """Submits a list of structures to the Materials Project as SNL files.
         The argument list mirrors the arguments for the StructureNL object,
         except that a list of structures with the same metadata is used as an
@@ -1065,7 +1065,7 @@ def submit_structures(
             created_at (datetime): A datetime object
 
         Returns:
-            A list of inserted submission ids.
+            list[str]: Inserted submission ids.
         """
         from pymatgen.util.provenance import StructureNL
 
@@ -1079,7 +1079,7 @@ def submit_structures(
             histories,
             created_at,
         )
-        self.submit_snl(snl_list)
+        return self.submit_snl(snl_list)
 
     def submit_snl(self, snl):
         """Submits a list of StructureNL to the Materials Project site.
@@ -1093,10 +1093,10 @@ def submit_snl(self, snl):
             of StructureNL objects
 
         Returns:
-            A list of inserted submission ids.
+            list[str]: Inserted submission ids.
 
         Raises:
-            MPRestError
+            MPRestError: If submission fails.
         """
         snl = snl if isinstance(snl, list) else [snl]
         json_data = [s.as_dict() for s in snl]

src/pymatgen/io/fiesta.py

@@ -382,25 +382,18 @@ def set_bse_options(self, n_excitations=10, nit_bse=200):
         self.bse_tddft_options.update(npsi_bse=n_excitations, nit_bse=nit_bse)
 
     def dump_bse_data_in_gw_run(self, BSE_dump=True):
-        """
-        Args:
-            BSE_dump: bool.
+        """Set the "do_bse" variable to 1 or 0 in cell.in.
 
-        Returns:
-            set the "do_bse" variable to one in cell.in
+        Args:
+            BSE_dump (bool): Defaults to True.
         """
-        if BSE_dump:
-            self.bse_tddft_options.update(do_bse=1, do_tddft=0)
-        else:
-            self.bse_tddft_options.update(do_bse=0, do_tddft=0)
+        self.bse_tddft_options.update(do_bse=int(BSE_dump), do_tddft=0)
 
     def dump_tddft_data_in_gw_run(self, tddft_dump: bool = True):
-        """
-        Args:
-            TDDFT_dump: bool.
+        """Set the do_tddft variable to 1 or 0 in cell.in.
 
-        Returns:
-            set the do_tddft variable to one in cell.in
+        Args:
+            tddft_dump (bool): Defaults to True.
         """
         self.bse_tddft_options.update(do_bse="0", do_tddft="1" if tddft_dump else "0")
 

src/pymatgen/io/icet.py

@@ -79,9 +79,6 @@ def __init__(
                 "monte carlo" otherwise.
             sqs_kwargs (dict): kwargs to pass to the icet SQS generators.
                 See self.sqs_kwarg_names for possible options.
-
-        Returns:
-            None
         """
         if ClusterSpace is None:
             raise ImportError("IcetSQS requires the icet package. Use `pip install icet`")
@@ -173,25 +170,24 @@ def run(self) -> Sqs:
             clusters=str(self._get_cluster_space()),
         )
 
-    def _get_site_composition(self) -> None:
+    def _get_site_composition(self) -> dict[str, dict]:
         """Get Icet-format composition from structure.
 
         Returns:
             Dict with sublattice compositions specified by uppercase letters,
-                e.g. In_x Ga_1-x As becomes:
-                {
+                e.g. In_x Ga_1-x As becomes: {
                     "A": {"In": x, "Ga": 1 - x},
                     "B": {"As": 1}
                 }
         """
         uppercase_letters = list(ascii_uppercase)
-        idx = 0
         self.composition: dict[str, dict] = {}
         for idx, site in enumerate(self._structure):
             site_comp = site.species.as_dict()
             if site_comp not in self.composition.values():
                 self.composition[uppercase_letters[idx]] = site_comp
-                idx += 1
+
+        return self.composition
 
     def _get_cluster_space(self) -> ClusterSpace:
         """Generate the ClusterSpace object for icet."""

src/pymatgen/io/vasp/outputs.py

@@ -2486,10 +2486,8 @@ def read_cs_core_contribution(self) -> None:
         self.data["cs_core_contribution"] = core_contrib
 
     def read_cs_raw_symmetrized_tensors(self) -> None:
-        """Parse the matrix form of NMR tensor before corrected to table.
-
-        Returns:
-            nsymmetrized tensors list in the order of atoms.
+        """Parse the matrix form of NMR tensor before corrected to table
+        and set as self.data["unsym_cs_tensor"].
         """
         header_pattern = r"\s+-{50,}\s+\s+Absolute Chemical Shift tensors\s+\s+-{50,}$"
         first_part_pattern = r"\s+UNSYMMETRIZED TENSORS\s+$"

src/pymatgen/transformations/advanced_transformations.py

@@ -1370,9 +1370,6 @@ def __init__(
                 will be removed. Default to 0.7.
             quick_gen (bool): whether to quickly generate a supercell, if set to true, no need to
                 find the smallest cell.
-
-        Returns:
-            Grain boundary structure (gb (Structure) object).
         """
         self.rotation_axis = rotation_axis
         self.rotation_angle = rotation_angle