From dc9bbaf90e87cd02ef8fc5c0213ea97ce4c1f700 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavalias-github@xavier.robin.name>
Date: Tue, 25 Jul 2023 09:45:35 +0200
Subject: [PATCH] doc: SCHWED-6002 document missing values
---
modules/conop/doc/compoundlib.rst | 10 +++++++---
1 file changed, 7 insertions(+), 3 deletions(-)
diff --git a/modules/conop/doc/compoundlib.rst b/modules/conop/doc/compoundlib.rst
index d211f631e..539096827 100644
--- a/modules/conop/doc/compoundlib.rst
+++ b/modules/conop/doc/compoundlib.rst
@@ -156,7 +156,8 @@ build the compound library manually.
.. attribute:: inchi
- The InChI code of this compound, e.g '1S/H2O/h1H2' for water.
+ The InChI code of this compound, e.g '1S/H2O/h1H2' for water, or an empty
+ string if missing.
Read-only.
:type: :class:`str`
@@ -164,13 +165,16 @@ build the compound library manually.
.. attribute:: inchi_key
The InChIKey of this compound, e.g.
- 'XLYOFNOQVPJJNP-UHFFFAOYSA-N' for water. Read-only.
+ 'XLYOFNOQVPJJNP-UHFFFAOYSA-N' for water, or an empty string if missing.
+ Read-only.
:type: :class:`str`
.. attribute:: smiles
- The SMILES string of this compound, e.g 'O' for water. Read-only.
+ The SMILES string of this compound, e.g 'O' for water, or an empty string
+ if missing. Read-only.
+
The string is read from the canonical SMILES produced by the
OpenEye OEToolkits.
--
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