From ca3a65367db5374147a4f6d4cc2bd145042485d3 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 13 Jan 2023 17:50:47 +0100
Subject: [PATCH] doc: add ligand_scoring to online doc
---
modules/mol/alg/doc/molalg.rst | 10 ++++++++++
modules/mol/alg/pymod/ligand_scoring.py | 6 +++---
2 files changed, 13 insertions(+), 3 deletions(-)
diff --git a/modules/mol/alg/doc/molalg.rst b/modules/mol/alg/doc/molalg.rst
index 759903efc..06c4ef782 100644
--- a/modules/mol/alg/doc/molalg.rst
+++ b/modules/mol/alg/doc/molalg.rst
@@ -115,6 +115,16 @@ Local Distance Test scores (lDDT, DRMSD)
.. currentmodule:: ost.mol.alg
+:mod:`ligand_scoring <ost.mol.alg.ligand_scoring>` -- Ligand scoring functions
+--------------------------------------------------------------------------------
+
+.. autoclass:: ost.mol.alg.ligand_scoring.LigandScorer
+ :members:
+ :member-order: bysource
+
+.. currentmodule:: ost.mol.alg
+
+
:mod:`chain_mapping <ost.mol.alg.chain_mapping>` -- Chain Mapping
--------------------------------------------------------------------------------
diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py
index 68f9b581d..187facafc 100644
--- a/modules/mol/alg/pymod/ligand_scoring.py
+++ b/modules/mol/alg/pymod/ligand_scoring.py
@@ -9,7 +9,7 @@ class LigandScorer:
scores available from ost.mol.alg.
Mostly expects cleaned up structures (you can use the
- `~ost.mol.alg.scoring.Scorer` outputs for that).
+ :class:`~ost.mol.alg.scoring.Scorer` outputs for that).
:param model: Model structure - a deep copy is available as :attr:`model`.
No additional processing (ie. Molck), checks,
@@ -21,7 +21,7 @@ class LigandScorer:
is performed on the input.
:type target: :class:`ost.mol.EntityHandle`/:class:`ost.mol.EntityView`
:param model_ligands: Model ligands, as a list of
- :class:`ost.mol.ResidueHandle`s belonging to the model
+ :class:`ost.mol.ResidueHandle` belonging to the model
entity. Can be instantiated with either a :class:list of
:class:`ost.mol.ResidueHandle`/:class:`ost.mol.ResidueView`
or of :class:`ost.mol.EntityHandle`/:class:`ost.mol.EntityView`.
@@ -31,7 +31,7 @@ class LigandScorer:
entities loaded from mmCIF).
:type model_ligands: :class:`list`
:param target_ligands: Target ligands, as a list of
- :class:`ost.mol.ResidueHandle`s belonging to the target
+ :class:`ost.mol.ResidueHandle` belonging to the target
entity. Can be instanciated either a :class:list of
:class:`ost.mol.ResidueHandle`/:class:`ost.mol.ResidueView`
or of :class:`ost.mol.EntityHandle`/:class:`ost.mol.EntityView`
--
GitLab