// // 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 #include #include #include #include #include #ifdef RDK_BUILD_THREADSAFE_SSS #include #endif namespace python = boost::python; using namespace RDKit; #ifdef RDK_BUILD_THREADSAFE_SSS static std::once_flag s_rdmolops_numpy_init_flag; #endif void rdkit_rdmolops_ensure_numpy() { #ifdef RDK_BUILD_THREADSAFE_SSS std::call_once(s_rdmolops_numpy_init_flag, rdkit_import_array); #else static bool initialized = false; if (!initialized) { initialized = true; rdkit_import_array(); } #endif } void wrap_molops(); void wrap_chiralityops(); BOOST_PYTHON_MODULE(rdmolops) { python::scope().attr("__doc__") = "Module containing RDKit functionality for manipulating molecules."; // ****************************** // Functions from MolOps //**************************** wrap_molops(); wrap_chiralityops(); }