opt into ruff docstring-code-format = true

pymatgen/io/abinit/abitimer.py

@@ -24,7 +24,7 @@
 def alternate(*iterables):
     """
     [a[0], b[0], ... , a[1], b[1], ..., a[n], b[n] ...]
-    >>> alternate([1,4], [2,5], [3,6])
+    >>> alternate([1, 4], [2, 5], [3, 6])
     [1, 2, 3, 4, 5, 6].
     """
     items = []

pymatgen/io/lammps/inputs.py

@@ -59,7 +59,7 @@ class LammpsInputFile(InputFile):
     ```
     stages = [
         {"stage_name": "Stage 1", "commands": [(cmd1, args1), (cmd2, args2)]},
-        {"stage_name": "Stage 2", "commands": [(cmd3, args3)]}
+        {"stage_name": "Stage 2", "commands": [(cmd3, args3)]},
     ]
     ```
     where cmd's are the LAMMPS command names (e.g., "units", or "pair_coeff")
@@ -206,7 +206,7 @@ def add_stage(
             ```
             your_input_file.add_stage(
                 commands=["pair_coeff 1 1 morse 0.0580 3.987 3.404", "pair_coeff 1 4 morse 0.0408 1.399 3.204"],
-                stage_name="Definition of the force field"
+                stage_name="Definition of the force field",
             )
             ```
             or
@@ -216,7 +216,7 @@ def add_stage(
                     "stage_name": "Definition of the force field",
                     "commands": [
                         ("pair_coeff", "1 1 morse 0.0580 3.987 3.404"),
-                        ("pair_coeff", "1 4 morse 0.0408 1.399 3.204")
+                        ("pair_coeff", "1 4 morse 0.0408 1.399 3.204"),
                     ],
                 }
             )
@@ -230,7 +230,7 @@ def add_stage(
                 "min_style cg",
                 "fix 1 all box/relax iso 0.0 vmax 0.001",
                 "minimize 1.0e-16 1.0e-16 5000 10000",
-                "write_data run.data"
+                "write_data run.data",
             ]
             ```
             or a dictionary such as `{"thermo": 1, ...}`, or a string with a single command (e.g., "units atomic").
@@ -367,19 +367,18 @@ def add_commands(self, stage_name: str, commands: str | list[str] | dict) -> Non
             to the stage "Definition of the potential", simply use
             ```
             your_input_file.add_commands(
-                stage_name="Definition of the potential",
-                commands="pair_coeff 1 1 morse 0.0580 3.987 3.404"
+                stage_name="Definition of the potential", commands="pair_coeff 1 1 morse 0.0580 3.987 3.404"
             )
             ```
             To add multiple commands, use a dict or a list, e.g.
             ```
             your_input_file.add_commands(
                 stage_name="Definition of the potential",
-                commands=["pair_coeff 1 1 morse 0.0580 3.987 3.404", "units atomic"]
+                commands=["pair_coeff 1 1 morse 0.0580 3.987 3.404", "units atomic"],
             )
             your_input_file.add_commands(
                 stage_name="Definition of the potential",
-                commands={"pair_coeff": "1 1 morse 0.0580 3.987 3.404", "units": "atomic"}
+                commands={"pair_coeff": "1 1 morse 0.0580 3.987 3.404", "units": "atomic"},
             )
             ```
 
@@ -694,16 +693,13 @@ def _add_command(self, stage_name: str, command: str, args: str | float | None =
             to the stage "Definition of the potential", simply use
             ```
             your_input_file._add_command(
-                stage_name="Definition of the potential",
-                command="pair_coeff 1 1 morse 0.0580 3.987 3.404"
+                stage_name="Definition of the potential", command="pair_coeff 1 1 morse 0.0580 3.987 3.404"
             )
             ```
             or
             ```
             your_input_file._add_command(
-                stage_name="Definition of the potential",
-                command="pair_coeff",
-                args="1 1 morse 0.0580 3.987 3.404"
+                stage_name="Definition of the potential", command="pair_coeff", args="1 1 morse 0.0580 3.987 3.404"
             )
             ```
 
@@ -1027,10 +1023,9 @@ def write_lammps_inputs(
         ... timestep        0.005
         ...
         ... run             $nsteps'''
-        >>> write_lammps_inputs('.', eam_template, settings={'temperature': 1600.0, 'nsteps': 100})
-        >>> with open('in.lammps') as file:
+        >>> write_lammps_inputs(".", eam_template, settings={"temperature": 1600.0, "nsteps": 100})
+        >>> with open("in.lammps") as file:
         ...     script = file.read()
-        ...
         >>> print(script)
         units           metal
         atom_style      atomic

pymatgen/util/string.py

@@ -84,8 +84,8 @@ def to_unicode_string(self):
 
 def str_delimited(results, header=None, delimiter="\t"):
     r"""Given a tuple of tuples, generate a delimited string form.
-    >>> results = [["a","b","c"],["d","e","f"],[1,2,3]]
-    >>> print(str_delimited(results,delimiter=","))
+    >>> results = [["a", "b", "c"], ["d", "e", "f"], [1, 2, 3]]
+    >>> print(str_delimited(results, delimiter=","))
     a,b,c
     d,e,f
     1,2,3.

pyproject.toml

@@ -22,7 +22,9 @@ repair-wheel-command = "delocate-wheel --require-archs {delocate_archs} -w {dest
 [tool.ruff]
 target-version = "py39"
 line-length = 120
-lint.select = [
+
+[tool.ruff.lint]
+select = [
   "B",       # flake8-bugbear
   "C4",      # flake8-comprehensions
   "D",       # pydocstyle
@@ -56,7 +58,7 @@ lint.select = [
   "W",       # pycodestyle warning
   "YTT",     # flake8-2020
 ]
-lint.ignore = [
+ignore = [
   "B023",    # Function definition does not bind loop variable
   "B028",    # No explicit stacklevel keyword argument found
   "B904",    # Within an except clause, raise exceptions with ...
@@ -73,9 +75,12 @@ lint.ignore = [
   "PTH",     # prefer pathlib to os.path
   "SIM105",  # Use contextlib.suppress() instead of try-except-pass
 ]
-lint.pydocstyle.convention = "google"
-lint.isort.required-imports = ["from __future__ import annotations"]
-lint.isort.split-on-trailing-comma = false
+pydocstyle.convention = "google"
+isort.required-imports = ["from __future__ import annotations"]
+isort.split-on-trailing-comma = false
+
+[tool.ruff.format]
+docstring-code-format = true
 
 [tool.ruff.lint.per-file-ignores]
 "__init__.py" = ["F401"]