From c0a1badfce98253231eb39fd83ceb0b1841ccf80 Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Mon, 7 Oct 2024 17:24:37 +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/astral-sh/ruff-pre-commit: v0.5.1 → v0.6.9](https://github.com/astral-sh/ruff-pre-commit/compare/v0.5.1...v0.6.9)
---
 .pre-commit-config.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index d47c396..b58755b 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -2,7 +2,7 @@ ci:
   autoupdate_schedule: "quarterly"
 repos:
 - repo: https://github.com/astral-sh/ruff-pre-commit
-  rev: v0.5.1
+  rev: v0.6.9
   hooks:
     - id: ruff
       args: ["--fix", "--unsafe-fixes"]

From e4e202dee04bd5fd36b92aff09329ffb3f336ff3 Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Mon, 7 Oct 2024 17:24:46 +0000
Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
---
 .../minidrugbank/Filter unspecified stereochemistry.ipynb   | 6 ++----
 1 file changed, 2 insertions(+), 4 deletions(-)

diff --git a/openmmforcefields/data/minidrugbank/Filter unspecified stereochemistry.ipynb b/openmmforcefields/data/minidrugbank/Filter unspecified stereochemistry.ipynb
index 9be41b5..2ac9d38 100644
--- a/openmmforcefields/data/minidrugbank/Filter unspecified stereochemistry.ipynb	
+++ b/openmmforcefields/data/minidrugbank/Filter unspecified stereochemistry.ipynb	
@@ -15,8 +15,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "ifs = oechem.oemolistream('MiniDrugBank.sdf')\n",
-    "ofs = oechem.oemolostream('MiniDrugBank-without-unspecifie-stereochemistry.sdf')"
+    "ifs = oechem.oemolistream(\"MiniDrugBank.sdf\")\n",
+    "ofs = oechem.oemolostream(\"MiniDrugBank-without-unspecifie-stereochemistry.sdf\")"
    ]
   },
   {
@@ -28,8 +28,6 @@
     "mol = oechem.OEGraphMol()\n",
     "\n",
     "while oechem.OEReadMolecule(ifs, mol):\n",
-    "    \n",
-    "    \n",
     "    oechem.OEWriteMolecule(ofs, mol)"
    ]
   },