From 2ccbc7c46d835147c265476037f6287e9f34f6d2 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Thu, 26 Jan 2023 15:21:55 +0100
Subject: [PATCH] doc: atom_count and bond_count
Also export the attributes where needed.
---
modules/mol/base/doc/entity.rst | 30 +++++++++++++++++++
modules/mol/base/pymod/export_residue.cc | 1 +
modules/mol/base/pymod/export_residue_view.cc | 1 +
3 files changed, 32 insertions(+)
diff --git a/modules/mol/base/doc/entity.rst b/modules/mol/base/doc/entity.rst
index 8033080bf..45688670e 100644
--- a/modules/mol/base/doc/entity.rst
+++ b/modules/mol/base/doc/entity.rst
@@ -624,6 +624,18 @@ The Handle Classes
:type: :class:`AtomHandleList` (list of :class:`AtomHandle`)
+ .. attribute:: atom_count
+
+ Number of atoms. Read-only. See :meth:`GetAtomCount`.
+
+ :type: :class:`int`
+
+ .. attribute:: bond_count
+
+ Number of bonds. Read-only. See :meth:`GetBondCount`.
+
+ :type: :class:`int`
+
.. attribute:: bounds
Axis-aligned bounding box of the residue. Read-only.
@@ -858,6 +870,14 @@ The Handle Classes
See :attr:`atoms`
+ .. method:: GetAtomCount()
+
+ See :attr:`atom_count`
+
+ .. method:: GetBondCount()
+
+ See :attr:`bond_count`
+
.. method:: GetBounds()
See :attr:`bounds`
@@ -1927,6 +1947,12 @@ The View Classes
:type: :class:`AtomViewList` (list of :class:`AtomView`)
+ .. attribute:: atom_count
+
+ Number of atoms included in the view. Read-only. See :meth:`GetAtomCount`.
+
+ :type: :class:`int`
+
.. attribute:: chain
The chain this residue belongs to. Read-only. Also available as
@@ -2015,6 +2041,10 @@ The View Classes
See :attr:`atoms`
+ .. method:: GetAtomCount()
+
+ See :attr:`atom_count`
+
.. method:: GetIndex()
See :attr:`index`
diff --git a/modules/mol/base/pymod/export_residue.cc b/modules/mol/base/pymod/export_residue.cc
index d4b741d3b..40fbfe260 100644
--- a/modules/mol/base/pymod/export_residue.cc
+++ b/modules/mol/base/pymod/export_residue.cc
@@ -261,6 +261,7 @@ void export_Residue()
.def("GetAtomCount", &ResidueHandle::GetAtomCount)
.def("GetBondCount", &ResidueHandle::GetBondCount)
.add_property("atom_count", &ResidueHandle::GetAtomCount)
+ .add_property("bond_count", &ResidueHandle::GetBondCount)
.add_property("index", &ResidueHandle::GetIndex)
.def("Select", select_string, arg("flags")=0)
.def("Select", select_query, arg("flags")=0)
diff --git a/modules/mol/base/pymod/export_residue_view.cc b/modules/mol/base/pymod/export_residue_view.cc
index a3a7f16ea..9d14320de 100644
--- a/modules/mol/base/pymod/export_residue_view.cc
+++ b/modules/mol/base/pymod/export_residue_view.cc
@@ -64,6 +64,7 @@ void export_ResidueView()
.add_property("atoms",
make_function(&ResidueView::GetAtomList,
return_value_policy<copy_const_reference>()))
+ .add_property("atom_count", &ResidueView::GetAtomCount)
.def("FindAtom", string_find_atom, args("atom_name"))
.def("AddAtom", add_atom_handle, X_add_atom_overloads(args("atom_handle", "flags")))
.def("AddAtom", add_atom_view, X_add_atom_overloads(args("atom_view", "flags")))
--
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