[pre-commit.ci] pre-commit autoupdate (#558)

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/psf/black: 23.12.1 → 24.2.0](psf/black@23.12.1...24.2.0)

* [pre-commit.ci] auto fixes from pre-commit.com hooks
for more information, see https://pre-commit.ci

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

.pre-commit-config.yaml

@@ -16,7 +16,7 @@ repos:
     - id: trailing-whitespace
       exclude: 'setup.cfg'
 - repo: https://github.com/psf/black
-  rev: 23.12.1
+  rev: 24.2.0
   hooks:
     - id: black
       args: [--line-length=80]

examples/ethane.py

@@ -1,4 +1,5 @@
 """Example script for a parametrized ethane molecule."""
+
 import parmed as pmd
 
 from foyer import Forcefield

foyer/__init__.py

@@ -1,4 +1,5 @@
 """Foyer: A pacakage for atom-typing, applying and disseminating forcefields."""
+
 from foyer.forcefield import Forcefield
 from foyer.forcefields import forcefields
 

foyer/atomtyper.py

@@ -1,4 +1,5 @@
 """Determine proper atom types for chemical systems."""
+
 from warnings import warn
 
 import ele

foyer/element.py

@@ -1,4 +1,5 @@
 """Element support in foyer."""
+
 import openmm.app.element as elem
 
 

foyer/examples/files/modify_oplsa_silica.py

@@ -1,4 +1,5 @@
 """Utility to modify a silica/oplsaa xml."""
+
 from lxml import etree
 
 root = etree.fromstring(open("oplsaa_with_silica.xml", "r").read())

foyer/examples/utils.py

@@ -1,4 +1,5 @@
 """Utility methods for foyer examples."""
+
 import glob
 from os.path import abspath, join, split
 

foyer/forcefield.py

@@ -1,4 +1,5 @@
 """Foyer ForceField class and utility methods."""
+
 import collections
 import glob
 import itertools

foyer/forcefields/__init__.py

@@ -1,4 +1,5 @@
 """Plugin support for forcefields."""
+
 from pkg_resources import iter_entry_points
 
 

foyer/forcefields/forcefields.py

@@ -1,4 +1,5 @@
 """Support user-created forcefield XML files."""
+
 import glob
 import os
 import warnings

foyer/smarts.py

@@ -1,4 +1,5 @@
 """Utility methods/classes for SMARTS grammar."""
+
 import lark
 
 from foyer.exceptions import FoyerError

foyer/smarts_graph.py

@@ -1,4 +1,5 @@
 """Module for SMARTSGraph and SMARTS matching logic."""
+
 import itertools
 from collections import OrderedDict, defaultdict
 

foyer/topology_graph.py

@@ -1,4 +1,5 @@
 """Module to represent chemical systems as graph structures."""
+
 from typing import TYPE_CHECKING, Optional
 
 import networkx as nx

foyer/utils/external.py

@@ -1,4 +1,5 @@
 """Methods that require external access to function."""
+
 import requests
 
 

foyer/utils/io.py

@@ -1,4 +1,5 @@
 """File I/O support module."""
+
 from __future__ import division, print_function
 
 import importlib

foyer/utils/nbfixes.py

@@ -1,4 +1,5 @@
 """Support non-bonded fixes for various interactions."""
+
 from parmed import Structure
 
 

foyer/validator.py

@@ -1,4 +1,5 @@
 """Validaton of force field XML files."""
+
 import os
 from collections import Counter
 from os.path import abspath, join, split

foyer/xml_writer.py

@@ -1,4 +1,5 @@
 """Write foyer XMLs from a parametrized structure."""
+
 from __future__ import division
 
 import collections
@@ -313,15 +314,15 @@ def _write_periodic_torsions(root, dihedrals, unique):
                 n = 1
                 while "periodicity{}".format(n) in last_dihedral_force.attrib:
                     n += 1
-                last_dihedral_force.attrib[
-                    "periodicity{}".format(n)
-                ] = dihedral_force.attrib["periodicity1"]
-                last_dihedral_force.attrib[
-                    "phase{}".format(n)
-                ] = dihedral_force.attrib["phase1"]
-                last_dihedral_force.attrib[
-                    "k{}".format(n)
-                ] = dihedral_force.attrib["k1"]
+                last_dihedral_force.attrib["periodicity{}".format(n)] = (
+                    dihedral_force.attrib["periodicity1"]
+                )
+                last_dihedral_force.attrib["phase{}".format(n)] = (
+                    dihedral_force.attrib["phase1"]
+                )
+                last_dihedral_force.attrib["k{}".format(n)] = (
+                    dihedral_force.attrib["k1"]
+                )
                 periodic_torsion_forces.remove(dihedral_force)
             else:
                 last_dihedral_force = dihedral_force