1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37
|
//
// Copyright (C) 2003-2019 Greg Landrum and 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 <RDBoost/python.h>
#include <RDGeneral/types.h>
#include <RDBoost/Wrap.h>
#include <RDBoost/import_array.h>
#include <RDGeneral/Exceptions.h>
#include <GraphMol/SanitException.h>
namespace python = boost::python;
using namespace RDKit;
void wrap_molops();
void wrap_chiralityops();
BOOST_PYTHON_MODULE(rdmolops) {
python::scope().attr("__doc__") =
"Module containing RDKit functionality for manipulating molecules.";
rdkit_import_array();
// ******************************
// Functions from MolOps
//****************************
wrap_molops();
wrap_chiralityops();
}
|