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// $Id$
//
// 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 <RDBoost/python.h>
#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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