From d7cfb3abfede9ba8964234eafb8deb1659569f1a Mon Sep 17 00:00:00 2001
From: richard gowers <richardjgowers@gmail.com>
Date: Mon, 27 Mar 2023 13:48:27 +0100
Subject: [PATCH] use proper bond Enum values for bond orders

---
 gufe/components/proteincomponent.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/gufe/components/proteincomponent.py b/gufe/components/proteincomponent.py
index c5a94e19..bd2cd978 100644
--- a/gufe/components/proteincomponent.py
+++ b/gufe/components/proteincomponent.py
@@ -23,9 +23,10 @@
 
 
 _BONDORDERS_OPENMM_TO_RDKIT = {
-    1: BondType.SINGLE,
-    2: BondType.DOUBLE,
-    3: BondType.TRIPLE,
+    app.Single: BondType.SINGLE, 1: BondType.SINGLE,
+    app.Double: BondType.DOUBLE, 2: BondType.DOUBLE,
+    app.Triple: BondType.TRIPLE, 3: BondType.TRIPLE,
+    app.Aromatic: BondType.AROMATIC,
     None: BondType.UNSPECIFIED,
 }
 _BONDORDERS_RDKIT_TO_OPENMM = {