// $Id$ // // Copyright (C) 2003-2006 Rational Discovery LLC // // @@ All Rights Reserved @@ // This file is part of the RDKit. // The contents are covered by the terms of the BSD license // which is included in the file license.txt, found at the root // of the RDKit source tree. // #include #include #include #include #include #include #include #include #include namespace python = boost::python; namespace RDKit { struct fragparams_wrapper { static void wrap() { // this exposed to be read only // i.e. one constructed there can be no changes done to the parameter object python::class_("FragCatParams", python::init()) .def(python::init()) .def("GetTypeString", &FragCatParams::getTypeStr) .def("GetUpperFragLength", &FragCatParams::getUpperFragLength) .def("GetLowerFragLength", &FragCatParams::getLowerFragLength) .def("GetTolerance", &FragCatParams::getTolerance) .def("GetNumFuncGroups", &FragCatParams::getNumFuncGroups) .def("GetFuncGroup", (const ROMol* (FragCatParams::*)(int) const) & FragCatParams::getFuncGroup, python::return_value_policy()) .def("Serialize", &FragCatParams::Serialize); }; }; } void wrap_fragparams() { RDKit::fragparams_wrapper::wrap(); }