Remove black, use ruff.

.github/workflows/tests.yml

@@ -35,7 +35,7 @@ jobs:
           python-version: "3.11"
           cache: "pip"
       - run: "pip install -e '.[dev]'"
-      - run: black --check .
+      - run: ruff format --check .
   pytest:
     runs-on: ubuntu-22.04
     services:

justfile

@@ -22,7 +22,7 @@ check:
   (set -x; ruff . )
 
   echo
-  ( set -x; black --check . )
+  ( set -x; ruff format --check . )
 
   echo
   ( set -x; mypy src )
@@ -37,7 +37,7 @@ check:
 
 # Auto-fix code issues.
 fix:
-  black .
+  ruff format .
   ruff --fix .
 
 # Start a MongoDB instance in docker.

pyproject.toml

@@ -28,7 +28,6 @@ readme = "README.rst"
 
 [project.optional-dependencies]
 dev = [
-  "black",
   "ruff",
   "moldoc",
   "mypy",
@@ -53,11 +52,11 @@ documentation = "https://stk.readthedocs.io"
 [tool.setuptools_scm]
 write_to = "src/stk/_version.py"
 
-[tool.black]
-line-length = 79
 
 [tool.ruff]
 line-length = 79
+
+[too.ruff.lint]
 extend-select = ["I"]
 
 [tool.pytest.ini_options]

src/stk/_internal/constructed_molecule.py

@@ -366,10 +366,10 @@ def get_atom_info(atom: Atom) -> AtomInfo:
 
             canonical_building_block = building_blocks[old_building_block]
 
-            (canonical_building_block_atom,) = (
-                canonical_building_block.get_atoms(
-                    atom_ids=canonical_building_block_atom_id,
-                )
+            (
+                canonical_building_block_atom,
+            ) = canonical_building_block.get_atoms(
+                atom_ids=canonical_building_block_atom_id,
             )
 
             return AtomInfo(

src/stk/_internal/construction_state/molecule_state/molecule_state.py

@@ -100,9 +100,9 @@ def _with_placement_results(
             edge_id,
             functional_groups,
         ) in summary.get_edge_functional_groups():
-            self._edge_functional_groups[edge_id] = (
-                self._edge_functional_groups.get(edge_id, [])
-            )
+            self._edge_functional_groups[
+                edge_id
+            ] = self._edge_functional_groups.get(edge_id, [])
             self._edge_functional_groups[edge_id].extend(functional_groups)
         return self
 

src/stk/_internal/ea/evolutionary_algorithm/implementations/implementation.py

@@ -138,7 +138,7 @@ def get_key(record: T) -> str:
             population, keys = dedupe(
                 items=(
                     molecule_record
-                    for molecule_record, in self._generation_selector.select(
+                    for (molecule_record,) in self._generation_selector.select(
                         population=normalized_fitness_values
                     )
                 ),

src/stk/_internal/ea/fitness_normalizers/add.py

@@ -106,9 +106,8 @@ class Add(FitnessNormalizer[T]):
     def __init__(
         self,
         number: float | Iterable[float],
-        filter: Callable[
-            [dict[T, Any], T], bool
-        ] = lambda fitness_values, record: True,
+        filter: Callable[[dict[T, Any], T], bool] = lambda fitness_values,
+        record: True,
     ) -> None:
         """
         Parameters:

src/stk/_internal/ea/fitness_normalizers/divide_by_mean.py

@@ -85,9 +85,8 @@ class DivideByMean(FitnessNormalizer[T]):
 
     def __init__(
         self,
-        filter: Callable[
-            [dict[T, Any], T], bool
-        ] = lambda fitness_values, record: True,
+        filter: Callable[[dict[T, Any], T], bool] = lambda fitness_values,
+        record: True,
     ) -> None:
         """
         Parameters:

src/stk/_internal/ea/fitness_normalizers/multiply.py

@@ -107,9 +107,8 @@ class Multiply(FitnessNormalizer[T]):
     def __init__(
         self,
         coefficient: float | Iterable[float],
-        filter: Callable[
-            [dict[T, Any], T], bool
-        ] = lambda fitness_values, record: True,
+        filter: Callable[[dict[T, Any], T], bool] = lambda fitness_values,
+        record: True,
     ) -> None:
         """
         Parameters:

src/stk/_internal/ea/fitness_normalizers/power.py

@@ -141,9 +141,8 @@ class Power(FitnessNormalizer[T]):
     def __init__(
         self,
         power: float | Iterable[float],
-        filter: Callable[
-            [dict[T, Any], T], bool
-        ] = lambda fitness_values, record: True,
+        filter: Callable[[dict[T, Any], T], bool] = lambda fitness_values,
+        record: True,
     ) -> None:
         """
         Parameters:

src/stk/_internal/ea/fitness_normalizers/replace_fitness.py

@@ -68,9 +68,8 @@ def get_minimum_fitness_value(fitness_values):
     def __init__(
         self,
         get_replacement: Callable[[dict[T, Any]], Any],
-        filter: Callable[
-            [dict[T, Any], T], bool
-        ] = lambda fitness_values, record: True,
+        filter: Callable[[dict[T, Any], T], bool] = lambda fitness_values,
+        record: True,
     ) -> None:
         """
         Parameters:

src/stk/_internal/ea/fitness_normalizers/shift_up.py

@@ -144,9 +144,8 @@ class ShiftUp(FitnessNormalizer[T]):
 
     def __init__(
         self,
-        filter: Callable[
-            [dict[T, Any], T], bool
-        ] = lambda fitness_values, record: True,
+        filter: Callable[[dict[T, Any], T], bool] = lambda fitness_values,
+        record: True,
     ) -> None:
         """
         Parameters:

src/stk/_internal/ea/fitness_normalizers/sum.py

@@ -86,9 +86,8 @@ class Sum(FitnessNormalizer[T]):
 
     def __init__(
         self,
-        filter: Callable[
-            [dict[T, Any], T], bool
-        ] = lambda fitness_values, record: True,
+        filter: Callable[[dict[T, Any], T], bool] = lambda fitness_values,
+        record: True,
     ) -> None:
         """
         Parameters:

src/stk/_internal/reactions/ring_amine_reaction.py

@@ -99,17 +99,17 @@ def _get_new_bonds(self):
         nc2h1 = C(-8)
         nc2h2 = C(-9)
 
-        yield Bond(n1, n_joiner, 1),
-        yield Bond(n_joiner, n2, 1, self._periodicity),
-        yield Bond(n_joiner, nh1, 1),
-        yield Bond(n_joiner, nh2, 1),
-        yield Bond(c1, nc_joiner1, 1),
-        yield Bond(nc_joiner1, n2, 1, self._periodicity),
-        yield Bond(nc_joiner1, nc1h1, 1),
-        yield Bond(nc_joiner1, nc1h2, 1),
-        yield Bond(nc_joiner2, c2, 1, self._periodicity),
-        yield Bond(n1, nc_joiner2, 1),
-        yield Bond(nc_joiner2, nc2h1, 1),
+        yield (Bond(n1, n_joiner, 1),)
+        yield (Bond(n_joiner, n2, 1, self._periodicity),)
+        yield (Bond(n_joiner, nh1, 1),)
+        yield (Bond(n_joiner, nh2, 1),)
+        yield (Bond(c1, nc_joiner1, 1),)
+        yield (Bond(nc_joiner1, n2, 1, self._periodicity),)
+        yield (Bond(nc_joiner1, nc1h1, 1),)
+        yield (Bond(nc_joiner1, nc1h2, 1),)
+        yield (Bond(nc_joiner2, c2, 1, self._periodicity),)
+        yield (Bond(n1, nc_joiner2, 1),)
+        yield (Bond(nc_joiner2, nc2h1, 1),)
         yield Bond(nc_joiner2, nc2h2, 1)
 
     def _get_deleted_atoms(self):

src/stk/_internal/topology_graphs/cage/cage.py

@@ -1378,9 +1378,9 @@ def _get_building_block_vertices(
         for vertex in cls._vertex_prototypes:
             vertex_degree = cls._vertex_degrees[vertex.get_id()]
             building_block = building_blocks_by_degree[vertex_degree]
-            building_block_vertices[building_block] = (
-                building_block_vertices.get(building_block, [])
-            )
+            building_block_vertices[
+                building_block
+            ] = building_block_vertices.get(building_block, [])
             building_block_vertices[building_block].append(vertex)
         return typing.cast(
             dict[BuildingBlock, abc.Sequence[_CageVertex]],

src/stk/_internal/topology_graphs/cage/cage_construction_state.py

@@ -179,9 +179,9 @@ def _update_neighbor_positions(
                 (functional_group,) = building_block.get_functional_groups(
                     fg_id
                 )
-                self._neighbor_positions[neighbor_id] = (
-                    self._neighbor_positions.get(neighbor_id, [])
-                )
+                self._neighbor_positions[
+                    neighbor_id
+                ] = self._neighbor_positions.get(neighbor_id, [])
                 self._neighbor_positions[neighbor_id].append(
                     building_block.get_centroid(
                         atom_ids=functional_group.get_placer_ids(),

src/stk/_internal/topology_graphs/cof/cof.py

@@ -458,12 +458,10 @@ def __init__(
                 for building_block, ids in building_blocks.items()
             }
         else:
-            building_block_vertices = (
-                self._get_building_block_vertices(  # type: ignore[assignment]
-                    building_blocks=building_blocks,
-                    vertices=vertices,
-                    edges=edges,
-                )
+            building_block_vertices = self._get_building_block_vertices(  # type: ignore[assignment]
+                building_blocks=building_blocks,
+                vertices=vertices,
+                edges=edges,
             )
 
         building_block_vertices = self._with_unaligning_vertices(
@@ -782,9 +780,9 @@ def _get_building_block_vertices(
         for vertex in vertices:
             vertex_degree = vertex_degrees[vertex.get_id()]
             building_block = building_blocks_by_degree[vertex_degree]
-            building_block_vertices[building_block] = (
-                building_block_vertices.get(building_block, [])
-            )
+            building_block_vertices[
+                building_block
+            ] = building_block_vertices.get(building_block, [])
             building_block_vertices[building_block].append(vertex)
         return building_block_vertices
 

src/stk/_internal/topology_graphs/rotaxane/nrotaxane.py

@@ -489,7 +489,8 @@ def __init__(
 
         # Save the chosen orientations for __repr__.
         self._orientations = tuple(
-            int(vertex.get_flip()) for vertex in vertices[1:]  # type:ignore
+            int(vertex.get_flip())  # type: ignore[union-attr]
+            for vertex in vertices[1:]
         )
 
         super().__init__(