From 470f317403de4ae2a9e71884a8c33e2ade8549fa 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 17:48:50 +0000
Subject: [PATCH 1/2] [pre-commit.ci] pre-commit autoupdate
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

updates:
- [github.com/psf/black: 23.12.1 → 24.4.2](https://github.com/psf/black/compare/23.12.1...24.4.2)
- [github.com/PyCQA/flake8: 6.1.0 → 7.1.0](https://github.com/PyCQA/flake8/compare/6.1.0...7.1.0)
---
 .pre-commit-config.yaml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

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

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 2/2] [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