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https://github.com/rdkit/rdkit.git
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51 lines
1.4 KiB
C++
51 lines
1.4 KiB
C++
// $Id$
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//
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// Copyright (C) 2003-2013 Greg Landrum and Rational Discovery LLC
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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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#include "rdmolops.h"
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#include <RDBoost/python.h>
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#include <numpy/arrayobject.h>
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#include <RDGeneral/types.h>
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#include <RDBoost/Wrap.h>
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#include <RDBoost/import_array.h>
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#include <RDGeneral/Exceptions.h>
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#include <GraphMol/SanitException.h>
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namespace python = boost::python;
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using namespace RDKit;
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void rdSanitExceptionTranslator(RDKit::MolSanitizeException const& x) {
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std::ostringstream ss;
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ss << "Sanitization error: " << x.message();
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PyErr_SetString(PyExc_ValueError, ss.str().c_str());
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}
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void wrap_molops();
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BOOST_PYTHON_MODULE(rdmolops) {
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python::scope().attr("__doc__") =
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"Module containing RDKit functionality for manipulating molecules.";
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rdkit_import_array();
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python::register_exception_translator<IndexErrorException>(
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&translate_index_error);
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python::register_exception_translator<ValueErrorException>(
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&translate_value_error);
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python::register_exception_translator<RDKit::MolSanitizeException>(
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&rdSanitExceptionTranslator);
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// ******************************
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// Functions from MolOps
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//****************************
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wrap_molops();
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}
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