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// $Id: FragFPGenerator.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 <DataStructs/BitVects.h>
#include <GraphMol/FragCatalog/FragFPGenerator.h>
namespace python = boost::python;
namespace RDKit{
struct fragFPgen_wrapper {
static void wrap() {
python::class_<FragFPGenerator>("FragFPGenerator", python::init<>())
.def("GetFPForMol", &FragFPGenerator::getFPForMol,
python::return_value_policy<python::manage_new_object>())
;
};
};
}
void wrap_fragFPgen() {
RDKit::fragFPgen_wrapper::wrap();
}
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