From fefa5fd3397561d2492d0b38e14108344aca0dc9 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 7 Aug 2023 16:46:55 +0000 Subject: [PATCH 1/2] =?UTF-8?q?=E2=AC=86=20[pre-commit.ci]=20pre-commit=20?= =?UTF-8?q?autoupdate?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit updates: - [github.com/asottile/pyupgrade: v3.8.0 → v3.10.1](https://github.com/asottile/pyupgrade/compare/v3.8.0...v3.10.1) - https://github.com/charliermarsh/ruff-pre-commit → https://github.com/astral-sh/ruff-pre-commit - [github.com/astral-sh/ruff-pre-commit: v0.0.275 → v0.0.282](https://github.com/astral-sh/ruff-pre-commit/compare/v0.0.275...v0.0.282) --- .pre-commit-config.yaml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index ae540fff..f8f8b341 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -17,14 +17,14 @@ repos: - id: trailing-whitespace types: [python] - repo: https://github.com/asottile/pyupgrade - rev: v3.8.0 + rev: v3.10.1 hooks: - id: pyupgrade args: - --py39-plus - --keep-runtime-typing -- repo: https://github.com/charliermarsh/ruff-pre-commit - rev: v0.0.275 +- repo: https://github.com/astral-sh/ruff-pre-commit + rev: v0.0.282 hooks: - id: ruff verbose: True From 36d468e9f8e8aee77462651fc758e903f4ad2b2a Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 7 Aug 2023 16:47:10 +0000 Subject: [PATCH 2/2] =?UTF-8?q?=F0=9F=9B=A0=EF=B8=8F=20[pre-commit.ci]=20A?= =?UTF-8?q?uto=20format=20from=20pre-commit.com=20hooks?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- protex/helpers.py | 3 ++- protex/reporter.py | 2 ++ 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/protex/helpers.py b/protex/helpers.py index 0a9d375c..f20fbb84 100644 --- a/protex/helpers.py +++ b/protex/helpers.py @@ -18,7 +18,8 @@ class CustomPSFFile(PSFFile): @staticmethod def write(struct, dest, vmd=False): """ - Writes a PSF file from the stored molecule + Writes a PSF file from the stored molecule. + Parameters ---------- struct : :class:`Structure` diff --git a/protex/reporter.py b/protex/reporter.py index 758cfbc2..52f85154 100644 --- a/protex/reporter.py +++ b/protex/reporter.py @@ -52,6 +52,7 @@ def describeNextReport(self, simulation): ---------- simulation : Simulation The Simulation to generate a report for + Returns ------- tuple @@ -123,6 +124,7 @@ def describeNextReport(self, simulation): ---------- simulation : Simulation The Simulation to generate a report for + Returns ------- tuple