From 45f188de36f9d325ac33430d2eeb39f70d248473 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavalias-github@xavier.robin.name>
Date: Mon, 24 Jul 2023 17:57:05 +0200
Subject: [PATCH] doc: SCHWED-6002 add SMILES
---
modules/conop/doc/compoundlib.rst | 8 ++++++++
1 file changed, 8 insertions(+)
diff --git a/modules/conop/doc/compoundlib.rst b/modules/conop/doc/compoundlib.rst
index 640ced9e1..018946c42 100644
--- a/modules/conop/doc/compoundlib.rst
+++ b/modules/conop/doc/compoundlib.rst
@@ -167,6 +167,14 @@ build the compound library manually.
'XLYOFNOQVPJJNP-UHFFFAOYSA-N' for water. Read-only.
:type: :class:`str`
+
+ .. attribute:: smiles
+
+ The SMILES string of this compound, e.g 'O' for water. Read-only.
+ The string is read from the canonical SMILES produced by the
+ OpenEye OEToolkits.
+
+ :type: :class:`str`
.. class:: AtomSpec
--
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