From dc9520938fd761a44bd1a8f1c0d848cb1dfabd03 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Wed, 10 Jul 2024 11:49:51 +0200
Subject: [PATCH] Expose SetChemType + doc
---
modules/mol/base/doc/entity.rst | 12 ++++++++++++
modules/mol/base/pymod/export_residue.cc | 3 ++-
2 files changed, 14 insertions(+), 1 deletion(-)
diff --git a/modules/mol/base/doc/entity.rst b/modules/mol/base/doc/entity.rst
index 6d8f4ea10..df77dc613 100644
--- a/modules/mol/base/doc/entity.rst
+++ b/modules/mol/base/doc/entity.rst
@@ -932,6 +932,16 @@ Residue Handle
See :attr:`chain`
+ .. method:: GetChemClass()
+ SetChemClass()
+
+ See :attr:`chem_class`
+
+ .. method:: GetChemType()
+ SetChemType()
+
+ See :attr:`chem_type`
+
.. method:: GetPhiTorsion()
See :attr:`phi_torsion`
@@ -2175,7 +2185,9 @@ Residue View
GetPsiTorsion
GetOmegaTorsion
GetChemClass
+ SetChemClass
GetChemType
+ SetChemType
GetSecStructure
IsLigand
SetIsLigand
diff --git a/modules/mol/base/pymod/export_residue.cc b/modules/mol/base/pymod/export_residue.cc
index 7a0883e7f..76fd04be7 100644
--- a/modules/mol/base/pymod/export_residue.cc
+++ b/modules/mol/base/pymod/export_residue.cc
@@ -225,7 +225,8 @@ void export_Residue()
.add_property("chem_class", &ResidueBase::GetChemClass, set_chemclass)
.def("SetChemClass", set_chemclass)
.def("GetChemType", &ResidueBase::GetChemType)
- .add_property("chem_type", &ResidueBase::GetChemType)
+ .add_property("chem_type", &ResidueBase::GetChemType, &ResidueBase::SetChemType)
+ .def("SetChemType", &ResidueBase::SetChemType)
.add_property("is_ligand", &ResidueBase::IsLigand, &ResidueBase::SetIsLigand)
.def("IsLigand", &ResidueBase::IsLigand)
.def("SetIsLigand", &ResidueBase::SetIsLigand, arg("ligand"))
--
GitLab