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// $Id: FragCatParams.cpp 1528 2010-09-26 17:04:37Z glandrum $
//
// 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 <boost/python.hpp>
#include <string>
#include <DataStructs/BitVects.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/FragCatalog/FragCatalogEntry.h>
#include <GraphMol/FragCatalog/FragCatGenerator.h>
#include <GraphMol/FragCatalog/FragCatParams.h>
#include <Catalogs/Catalog.h>
#include <Catalogs/CatalogParams.h>
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>("FragCatParams",
python::init<int, int, std::string>())
.def(python::init<int, int, std::string,double>())
.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<python::reference_existing_object>())
.def("Serialize", &FragCatParams::Serialize)
;
};
};
}
void wrap_fragparams() {
RDKit::fragparams_wrapper::wrap();
}
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