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62 lines
1.7 KiB
C++
62 lines
1.7 KiB
C++
// $Id$
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//
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// Created by Greg Landrum: January 2007
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#define NO_IMPORT_ARRAY
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#include <RDBoost/python.h>
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#include <GraphMol/RDKitBase.h>
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#include <RDGeneral/types.h>
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namespace python = boost::python;
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namespace {
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using namespace RDKit;
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python::object atomRings(const RingInfo *self){
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python::list res;
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VECT_INT_VECT rings=self->atomRings();
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for(VECT_INT_VECT_I ringIt=rings.begin();ringIt!=rings.end();++ringIt){
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res.append(python::tuple(*ringIt));
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}
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return python::tuple(res);
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}
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python::object bondRings(const RingInfo *self){
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python::list res;
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VECT_INT_VECT rings=self->bondRings();
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for(VECT_INT_VECT_I ringIt=rings.begin();ringIt!=rings.end();++ringIt){
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res.append(python::tuple(*ringIt));
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}
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return python::tuple(res);
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}
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}
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namespace RDKit{
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std::string classDoc="contains information about a molecule's rings\n";
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struct ringinfo_wrapper {
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static void wrap(){
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python::class_<RingInfo>("RingInfo",classDoc.c_str(),python::no_init)
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.def("IsAtomInRingOfSize",&RingInfo::isAtomInRingOfSize)
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.def("IsBondInRingOfSize",&RingInfo::isBondInRingOfSize)
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.def("IsBondInRingOfSize",&RingInfo::isBondInRingOfSize)
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.def("NumAtomRings",&RingInfo::numAtomRings)
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.def("NumBondRings",&RingInfo::numBondRings)
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.def("NumRings",&RingInfo::numRings)
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.def("AtomRings",atomRings)
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.def("BondRings",bondRings)
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;
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};
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};
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}// end of namespace
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void wrap_ringinfo() {
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RDKit::ringinfo_wrapper::wrap();
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}
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