From 7179574db104fb6bf5c880231eb72c0a0c82297f Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 1 Jul 2024 17:49:02 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- physical_validation/tests/test_data_gromacs_parser.py | 8 +++++--- physical_validation/util/error.py | 1 + 2 files changed, 6 insertions(+), 3 deletions(-) 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