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// $Id: RingInfo.cpp 1528 2010-09-26 17:04:37Z glandrum $
//
// Created by Greg Landrum: January 2007
//
// @@ 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.
//
#define NO_IMPORT_ARRAY
#include <boost/python.hpp>
#include <GraphMol/RDKitBase.h>
#include <RDGeneral/types.h>
namespace python = boost::python;
namespace {
using namespace RDKit;
python::object atomRings(const RingInfo *self){
python::list res;
VECT_INT_VECT rings=self->atomRings();
for(VECT_INT_VECT_I ringIt=rings.begin();ringIt!=rings.end();++ringIt){
res.append(python::tuple(*ringIt));
}
return python::tuple(res);
}
python::object bondRings(const RingInfo *self){
python::list res;
VECT_INT_VECT rings=self->bondRings();
for(VECT_INT_VECT_I ringIt=rings.begin();ringIt!=rings.end();++ringIt){
res.append(python::tuple(*ringIt));
}
return python::tuple(res);
}
}
namespace RDKit{
std::string classDoc="contains information about a molecule's rings\n";
struct ringinfo_wrapper {
static void wrap(){
python::class_<RingInfo>("RingInfo",classDoc.c_str(),python::no_init)
.def("IsAtomInRingOfSize",&RingInfo::isAtomInRingOfSize)
.def("IsBondInRingOfSize",&RingInfo::isBondInRingOfSize)
.def("IsBondInRingOfSize",&RingInfo::isBondInRingOfSize)
.def("NumAtomRings",&RingInfo::numAtomRings)
.def("NumBondRings",&RingInfo::numBondRings)
.def("NumRings",&RingInfo::numRings)
.def("AtomRings",atomRings)
.def("BondRings",bondRings)
;
};
};
}// end of namespace
void wrap_ringinfo() {
RDKit::ringinfo_wrapper::wrap();
}
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