// $Id$ // // Copyright (C) 2003-2013 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 #include "numpy/oldnumeric.h" #include #include #include #include #include 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 molecules." ; rdkit_import_array(); python::register_exception_translator(&translate_index_error); python::register_exception_translator(&translate_value_error); python::register_exception_translator(&rdSanitExceptionTranslator); // ****************************** // Functions from MolOps //**************************** wrap_molops(); }