From fa54de98580f0967cb825781415da988b690e5c0 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Thu, 19 Jan 2023 16:24:09 +0100
Subject: [PATCH] doc: SCHWED-5783 add new functions

---
 modules/mol/alg/doc/molalg.rst          | 5 ++---
 modules/mol/alg/pymod/ligand_scoring.py | 6 ++----
 2 files changed, 4 insertions(+), 7 deletions(-)

diff --git a/modules/mol/alg/doc/molalg.rst b/modules/mol/alg/doc/molalg.rst
index 5548d1cd9..01cef9908 100644
--- a/modules/mol/alg/doc/molalg.rst
+++ b/modules/mol/alg/doc/molalg.rst
@@ -118,11 +118,10 @@ Local Distance Test scores (lDDT, DRMSD)
 :mod:`ligand_scoring <ost.mol.alg.ligand_scoring>` -- Ligand scoring functions
 --------------------------------------------------------------------------------
 
-.. autoclass:: ost.mol.alg.ligand_scoring.LigandScorer
+.. automodule:: ost.mol.alg.ligand_scoring
    :members:
    :member-order: bysource
-
-.. currentmodule:: ost.mol.alg
+   :synopsis: Scoring of ligands
 
 
 :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 405383321..c44ec74c0 100644
--- a/modules/mol/alg/pymod/ligand_scoring.py
+++ b/modules/mol/alg/pymod/ligand_scoring.py
@@ -477,7 +477,7 @@ def ResidueToGraph(residue, by_atom_index=False):
                           atom names.
     :type by_atom_index: :class:`bool`
 
-    Nodes are labeled with the Atom's :attr:`~ost.mol.AtomHandle.element`
+    Nodes are labeled with the Atom's :attr:`~ost.mol.AtomHandle.element`.
     """
     nxg = networkx.Graph()
     nxg.add_nodes_from([a.name for a in residue.atoms], element=[a.element for a in residue.atoms])
@@ -615,9 +615,7 @@ def _ComputeSymmetries(model_ligand, target_ligand, substructure_match=False,
 
 
 class NoSymmetryError(Exception):
-    """Exception to be raised when no symmetry can be found
-
-    Those are cases we might want to capture for default behavior.
+    """Exception to be raised when no symmetry can be found.
     """
     pass
 
-- 
GitLab