diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 759f912..2a92888 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -2,7 +2,7 @@ ci: autoupdate_schedule: "quarterly" repos: - repo: https://github.com/psf/black - rev: 23.12.1 + rev: 24.4.2 hooks: - id: black files: ^physical_validation @@ -12,7 +12,7 @@ repos: - id: isort files: ^physical_validation - repo: https://github.com/PyCQA/flake8 - rev: 6.1.0 + rev: 7.1.0 hooks: - id: flake8 files: ^physical_validation diff --git a/physical_validation/tests/test_data_gromacs_parser.py b/physical_validation/tests/test_data_gromacs_parser.py index d2a9920..bc6efda 100644 --- a/physical_validation/tests/test_data_gromacs_parser.py +++ b/physical_validation/tests/test_data_gromacs_parser.py @@ -39,9 +39,11 @@ def get_gromacs_simulation_data( mdp=gromacs_files["parameters"], top=gromacs_files["topology"], edr=gromacs_files["energy"], - gro=gromacs_files["final configuration"] - if not use_full_trajectory - else None, + gro=( + gromacs_files["final configuration"] + if not use_full_trajectory + else None + ), trr=gromacs_files["trajectory"] if use_full_trajectory else None, ) diff --git a/physical_validation/util/error.py b/physical_validation/util/error.py index b99bdca..b1209b4 100644 --- a/physical_validation/util/error.py +++ b/physical_validation/util/error.py @@ -18,6 +18,7 @@ class PhysicalValidationError(Exception): r"""Base class for exceptions in the physical_validation module.""" + pass