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// $Id: rdmolops.cpp 1625 2011-01-13 04:22:56Z 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 "rdmolops.h"
#include <boost/python.hpp>
#include "numpy/oldnumeric.h"
#include <RDGeneral/types.h>
#include <RDBoost/Wrap.h>
#include <RDBoost/Exceptions.h>
#include <GraphMol/SanitException.h>
namespace python = boost::python;
using namespace RDKit;
void rdSanitExceptionTranslator(RDKit::MolSanitizeException const& x){
std::ostringstream ss;
ss << "Sanitization error: " << x.message();
PyErr_SetString(PyExc_ValueError,ss.str().c_str());
}
void wrap_molops();
BOOST_PYTHON_MODULE(rdmolops)
{
python::scope().attr("__doc__") =
"Module containing RDKit functionality for manipulating and querying molecules."
;
import_array();
python::register_exception_translator<IndexErrorException>(&translate_index_error);
python::register_exception_translator<ValueErrorException>(&translate_value_error);
python::register_exception_translator<RDKit::MolSanitizeException>(&rdSanitExceptionTranslator);
// ******************************
// Functions from MolOps
//****************************
wrap_molops();
}
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