diff --git a/modules/conop/pymod/export_compound.cc b/modules/conop/pymod/export_compound.cc index 4ed7248f4f5fed2399b29221f5e3db399695ecad..3a9e4e6118867027b04db2bbf3eb3031878c44ed 100644 --- a/modules/conop/pymod/export_compound.cc +++ b/modules/conop/pymod/export_compound.cc @@ -75,6 +75,13 @@ CompoundPtr find_compound(CompoundLibPtr comp_lib, return comp_lib->FindCompound(tlc, tr_dialect(dialect)); } +bool is_residue_complete(CompoundLibPtr comp_lib, + const ost::mol::ResidueHandle& res, + bool check_hydrogens, const String& dialect) +{ + return comp_lib->IsResidueComplete(res, check_hydrogens, tr_dialect(dialect)); +} + String get_creation_date(CompoundLibPtr comp_lib) { return comp_lib->GetCreationDate().ToString(); @@ -135,9 +142,9 @@ void export_Compound() { .def("Load", &CompoundLib::Load, arg("readonly")=true).staticmethod("Load") .def("FindCompound", &find_compound, (arg("tlc"), arg("dialect")="PDB")) - .def("IsResidueComplete",&CompoundLib::IsResidueComplete, (arg("residue"), - arg("check_hydrogens")=false, - arg("dialect")="PDB")) + .def("IsResidueComplete", &is_residue_complete, (arg("residue"), + arg("check_hydrogens")=false, + arg("dialect")="PDB")) .def("ClearCache", &CompoundLib::ClearCache) .def("GetOSTVersionUsed", &CompoundLib::GetOSTVersionUsed) .def("GetCreationDate", &get_creation_date, (arg("comp_lib")))