diff --git a/modules/mol/base/doc/entity.rst b/modules/mol/base/doc/entity.rst index 6d8f4ea104e66dc0996b1e23cda9188b54bedb31..df77dc6135e219eeb42cf13029f2b70bcab150e7 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 7a0883e7fc30d8a938e821a2bf7fbe93a3a762b8..76fd04be7e0ed6e5fa85abdbd3f6cde91d25f2a4 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"))