Skip to content
Snippets Groups Projects
Unverified Commit dc9bbaf9 authored by Xavier Robin's avatar Xavier Robin
Browse files

doc: SCHWED-6002 document missing values

parent d70186ed
Branches
Tags
No related merge requests found
...@@ -156,7 +156,8 @@ build the compound library manually. ...@@ -156,7 +156,8 @@ build the compound library manually.
.. attribute:: inchi .. 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. Read-only.
:type: :class:`str` :type: :class:`str`
...@@ -164,13 +165,16 @@ build the compound library manually. ...@@ -164,13 +165,16 @@ build the compound library manually.
.. attribute:: inchi_key .. attribute:: inchi_key
The InChIKey of this compound, e.g. 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` :type: :class:`str`
.. attribute:: smiles .. 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 The string is read from the canonical SMILES produced by the
OpenEye OEToolkits. OpenEye OEToolkits.
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment