// // Copyright (C) 2008 Greg Landrum // // @@ 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. // /*! \file Chirality.h \brief Not intended for client-code use. */ #include #ifndef _RD_CHIRALITY_20AUG2008_H_ #define _RD_CHIRALITY_20AUG2008_H_ #include /// @cond namespace RDKit { class ROMol; namespace Chirality { /*! \param mol the molecule to be altered \param ranks used to return the set of ranks. Should be at least mol.getNumAtoms() long. Notes: - All atoms gain a property common_properties::_CIPRank with their overall CIP ranking. */ RDKIT_GRAPHMOL_EXPORT void assignAtomCIPRanks(const ROMol &mol, UINT_VECT &ranks); } // namespace Chirality } // namespace RDKit /// @endcond #endif