linting, new black introduces new linting

Signed-off-by: Nick Papior <[email protected]>

src/sisl/_category.py

@@ -103,6 +103,7 @@ def __call__(cls, *args, **kwargs):
 @set_module("sisl.category")
 class Category(metaclass=CategoryMeta):
     r"""A category"""
+
     __slots__ = ("_name", "_wrapper")
 
     def __init__(self, name=None):
@@ -297,6 +298,7 @@ def is_class(cls, name):
 @set_module("sisl.category")
 class NullCategory(GenericCategory):
     r"""Special Null class which always represents a classification not being *anything*"""
+
     __slots__ = tuple()
 
     def __init__(self):

src/sisl/_dispatch_class.py

@@ -18,6 +18,7 @@ class A(_Dispatchs,
 A.new.register ..
 A.hello.register ..
 """
+
 import logging
 from collections import namedtuple
 from typing import Any, Optional, Sequence, Union

src/sisl/geom/_composite.py

@@ -15,12 +15,12 @@
 @dataclass
 class CompositeGeometrySection:
     @abstractmethod
-    def build_section(self, previous: Geometry) -> Geometry:
-        ...
+    def build_section(self, previous: Geometry) -> Geometry: ...
 
     @abstractmethod
-    def add_section(self, geometry: Geometry, geometry_addition: Geometry) -> Geometry:
-        ...
+    def add_section(
+        self, geometry: Geometry, geometry_addition: Geometry
+    ) -> Geometry: ...
 
     def _junction_error(self, prev, msg, what):
         """Helper function to raise an error if the junction is not valid.

src/sisl/geom/category/_coord.py

@@ -54,6 +54,7 @@ class AtomFracSite(AtomCategory):
     ...    else:
     ...        assert c == B_site
     """
+
     __slots__ = (
         f"_{a}" for a in ("cell", "icell", "length", "atol", "offset", "foffset")
     )
@@ -159,6 +160,7 @@ class AtomXYZ(AtomCategory):
             AtomXYZ.fx < 3 == AtomXYZ.fx(None, 3) == AtomXYZ(f_x=(None, 3)) == AtomXYZ(f_x_lt=3)
 
     """
+
     __slots__ = ("_coord_check",)
 
     def __init__(self, *args, **kwargs):

src/sisl/geom/category/_kind.py

@@ -26,6 +26,7 @@ class AtomZ(AtomCategory):
     Z : int or array_like
        atomic number match for several values this is equivalent to AND
     """
+
     __slots__ = ("_Z",)
 
     def __init__(self, Z):
@@ -62,6 +63,7 @@ class AtomTag(AtomCategory):
     tag : str
        The tag you want atoms to match. It can be a regex expression.
     """
+
     __slots__ = ("_compiled_re", "_re")
 
     def __init__(self, tag):
@@ -113,6 +115,7 @@ class AtomIndex(AtomCategory):
     >>> aidx = AtomIndex(mod=3) # [1, 2, 4, 5, ...]: range(na) - range(0, na, 3)
     >>> geom.sub(aidx) == geom.sub(range(0, len(geom), 3))
     """
+
     __slots__ = ("_op_val",)
 
     def __init__(self, *args, **kwargs):
@@ -272,6 +275,7 @@ def __eq__(self, other):
 
 class AtomEven(AtomCategory):
     r"""Classify atoms based on indices (even in this case)"""
+
     __slots__ = []
 
     def __init__(self):
@@ -291,6 +295,7 @@ def __eq__(self, other):
 @set_module("sisl.geom")
 class AtomOdd(AtomCategory):
     r"""Classify atoms based on indices (odd in this case)"""
+
     __slots__ = []
 
     def __init__(self):

src/sisl/geom/category/_neighbours.py

@@ -38,6 +38,7 @@ class AtomNeighbours(AtomCategory):
     >>> AtomNeighbours(4, R=(1, 1.44)) # 4 neighbours within (1, Geometry.maxR())
     >>> AtomNeighbours(4, R=lambda atom: (0.01, PeriodicTable().radius(atom.Z))) # 4 neighbours within (0.01, <>)
     """
+
     __slots__ = ("_min", "_max", "_in", "_R")
 
     def __init__(self, *args, **kwargs):

src/sisl/io/siesta/binaries.py

@@ -2561,9 +2561,7 @@ def _type(name, obj, dic=None):
     )
     add_sile(
         "RHOINIT",
-        _type(
-            "rhoinitSileSiesta", _gridSileSiesta, {"grid_unit": 1.0 / _Bohr2Ang**3}
-        ),
+        _type("rhoinitSileSiesta", _gridSileSiesta, {"grid_unit": 1.0 / _Bohr2Ang**3}),
     )
     add_sile(
         "RHOXC",
@@ -2583,9 +2581,7 @@ def _type(name, obj, dic=None):
     )
     add_sile(
         "TOCH",
-        _type(
-            "totalrhoSileSiesta", _gridSileSiesta, {"grid_unit": 1.0 / _Bohr2Ang**3}
-        ),
+        _type("totalrhoSileSiesta", _gridSileSiesta, {"grid_unit": 1.0 / _Bohr2Ang**3}),
     )
     # The following two files *require* that
     #  STM.DensityUnits   Ele/bohr**3
@@ -2597,9 +2593,7 @@ def _type(name, obj, dic=None):
     )
     add_sile(
         "STM.LDOS",
-        _type(
-            "stmldosSileSiesta", _gridSileSiesta, {"grid_unit": 1.0 / _Bohr2Ang**3}
-        ),
+        _type("stmldosSileSiesta", _gridSileSiesta, {"grid_unit": 1.0 / _Bohr2Ang**3}),
     )
     add_sile("VH", _type("hartreeSileSiesta", _gridSileSiesta, {"grid_unit": _Ry2eV}))
     add_sile(

src/sisl/io/tbtrans/se.py

@@ -62,6 +62,7 @@ class tbtsencSileTBtrans(_devncSileTBtrans):
     >>> np.allclose(Hdev_pvt, Hdev[pvt_dev, pvt_dev.T])
     True
     """
+
     _trans_type = "TBT"
     _E2eV = Ry2eV
 

src/sisl/io/tbtrans/tbt.py

@@ -130,6 +130,7 @@ class tbtncSileTBtrans(_devncSileTBtrans):
     The API for this class are largely equivalent to the arguments of the `sdata` command-line
     tool, with the execption that the command-line tool uses Fortran indexing numbers (1-based).
     """
+
     _trans_type = "TBT"
     _E2eV = Ry2eV
 

src/sisl/mixing/base.py

@@ -36,6 +36,7 @@
 @set_module("sisl.mixing")
 class BaseMixer:
     r"""Base class mixer"""
+
     __slots__ = ()
 
     @abstractmethod
@@ -117,6 +118,7 @@ def __str__(self) -> str:
 @set_module("sisl.mixing")
 class BaseWeightMixer(BaseMixer):
     r"""Base class mixer"""
+
     __slots__ = ("_weight",)
 
     def __init__(self, weight: TypeWeight = 0.2):
@@ -142,6 +144,7 @@ def set_weight(self, weight: TypeWeight):
 @set_module("sisl.mixing")
 class BaseHistoryWeightMixer(BaseWeightMixer):
     r"""Base class mixer with history"""
+
     __slots__ = ("_history",)
 
     def __init__(self, weight: TypeWeight = 0.2, history: TypeArgHistory = 0):

src/sisl/mixing/diis.py

@@ -68,6 +68,7 @@ class DIISMixer(BaseHistoryWeightMixer):
     metric : callable, optional
        the metric used for the two values, defaults to ``lambda a, b: a.ravel().conj().dot(b.ravel).real``
     """
+
     __slots__ = ("_metric",)
 
     def __init__(
@@ -179,6 +180,7 @@ class AdaptiveDIISMixer(DIISMixer):
     be relatively far from the true saddle point, and for small values we
     will be close to the saddle point.
     """
+
     __slots__ = ("_weight_min", "_weight_delta")
 
     def __init__(

src/sisl/mixing/linear.py

@@ -29,6 +29,7 @@ class LinearMixer(BaseHistoryWeightMixer):
     weight : float, optional
        mixing weight
     """
+
     __slots__ = ()
 
     def __call__(self, f: T, df: T, append: bool = True) -> T:

src/sisl/nodes/syntax_nodes.py

@@ -4,8 +4,7 @@
 from .node import Node
 
 
-class SyntaxNode(Node):
-    ...
+class SyntaxNode(Node): ...
 
 
 class ListSyntaxNode(SyntaxNode):

src/sisl/nodes/tests/test_context.py

@@ -106,8 +106,7 @@ def calc(val: int):
         return val
 
     @Node.from_func(context={"lazy": False, "lazy_init": lazy_init})
-    def alert_change(val: int):
-        ...
+    def alert_change(val: int): ...
 
     val = calc(1)
 

src/sisl/nodes/workflow.py

@@ -86,9 +86,9 @@ def _edge_props(node_out, node_in, key) -> dict:
             if edge_labels:
                 props["label"] = key
 
-            props[
-                "title"
-            ] = f"{node_out.__class__.__name__}() -> {node_in.__class__.__name__}.{key}"
+            props["title"] = (
+                f"{node_out.__class__.__name__}() -> {node_in.__class__.__name__}.{key}"
+            )
             return props
 
         # Get the workflow's nodes
@@ -942,9 +942,11 @@ def assign_workflow_var(value: Any, var_name: str):
             inps = {
                 k: WorkflowInput(
                     input_key=k,
-                    value=param.default
-                    if param.default != inspect.Parameter.empty
-                    else Node._blank,
+                    value=(
+                        param.default
+                        if param.default != inspect.Parameter.empty
+                        else Node._blank
+                    ),
                 )
                 for k, param in sig.parameters.items()
                 if param.kind

src/sisl/orbital.py

@@ -154,6 +154,7 @@ class Orbital:
     The optimization problem depends heavily on the ``func`` since the tails are
     important for real-space quantities.
     """
+
     __slots__ = ("_R", "_tag", "_q0")
 
     def __init__(self, R, q0=0.0, tag=""):
@@ -669,6 +670,7 @@ class SphericalOrbital(Orbital):
     ...       fill_value=(0., 0.), kind="cubic", bounds_error=False)))
     True
     """
+
     # Additional slots (inherited classes retain the same slots)
     __slots__ = ("_l", "_radial")
 

src/sisl/physics/brillouinzone.py

@@ -187,6 +187,7 @@ class BrillouinZoneDispatcher(ClassDispatcher):
 
     Please see :ref:`physics.brillouinzone` for further examples.
     """
+
     pass
 
 

src/sisl/physics/electron.py

@@ -1622,18 +1622,21 @@ def wavefunction(self, grid, spinor=0, eta=None):
 @set_module("sisl.physics.electron")
 class CoefficientElectron(Coefficient):
     r"""Coefficients describing some physical quantity related to electrons"""
+
     __slots__ = []
 
 
 @set_module("sisl.physics.electron")
 class StateElectron(_electron_State, State):
     r"""A state describing a physical quantity related to electrons"""
+
     __slots__ = []
 
 
 @set_module("sisl.physics.electron")
 class StateCElectron(_electron_State, StateC):
     r"""A state describing a physical quantity related to electrons, with associated coefficients of the state"""
+
     __slots__ = []
 
     def velocity(self, *args, **kwargs):
@@ -1724,6 +1727,7 @@ class EigenvalueElectron(CoefficientElectron):
 
     This holds routines that enable the calculation of density of states.
     """
+
     __slots__ = []
 
     @property
@@ -1765,6 +1769,7 @@ class EigenvectorElectron(StateElectron):
 
     This holds routines that enable the calculation of spin moments.
     """
+
     __slots__ = []
 
 
@@ -1775,6 +1780,7 @@ class EigenstateElectron(StateCElectron):
     This holds routines that enable the calculation of (projected) density of states,
     spin moments (spin texture).
     """
+
     __slots__ = []
 
     @property

src/sisl/shape/_cylinder.py

@@ -47,6 +47,7 @@ class EllipticalCylinder(PureShape):
     >>> shape.within([1.4, 0, 1.1])
     False
     """
+
     __slots__ = ("_v", "_nh", "_iv", "_h")
 
     def __init__(self, v, h: float, axes=(0, 1), center=None):

src/sisl/viz/_plotables.py

@@ -276,9 +276,11 @@ def register_data_source(
             "data_args": data_args,
             "replaced_data_args": replaced_data_args,
             "data_var_kwarg": data_var_kwarg,
-            "plot_var_kwarg": new_parameters[-1].name
-            if new_parameters[-1].kind == inspect.Parameter.VAR_KEYWORD
-            else None,
+            "plot_var_kwarg": (
+                new_parameters[-1].name
+                if new_parameters[-1].kind == inspect.Parameter.VAR_KEYWORD
+                else None
+            ),
         }
 
         def _plot(
@@ -393,10 +395,12 @@ def register_sile_method(
         "data_args": data_args,
         "replaced_data_args": replaced_data_args,
         "data_var_kwarg": data_var_kwarg,
-        "plot_var_kwarg": new_parameters[-1].name
-        if len(new_parameters) > 0
-        and new_parameters[-1].kind == inspect.Parameter.VAR_KEYWORD
-        else None,
+        "plot_var_kwarg": (
+            new_parameters[-1].name
+            if len(new_parameters) > 0
+            and new_parameters[-1].kind == inspect.Parameter.VAR_KEYWORD
+            else None
+        ),
     }
 
     signature = signature.replace(parameters=new_parameters)

src/sisl/viz/_splot.py

@@ -238,15 +238,17 @@ def splot():
         # Extra configuration that the user requested for the display
         config = {
             "editable": args.editable,
-            "modeBarButtonsToAdd": [
-                "drawline",
-                "drawopenpath",
-                "drawclosedpath",
-                "drawcircle",
-                "drawrect",
-                "eraseshape",
-            ]
-            if args.drawable
-            else [],
+            "modeBarButtonsToAdd": (
+                [
+                    "drawline",
+                    "drawopenpath",
+                    "drawclosedpath",
+                    "drawcircle",
+                    "drawrect",
+                    "eraseshape",
+                ]
+                if args.drawable
+                else []
+            ),
         }
         plot.show(config=config)