// // Copyright (C) 2016 Novartis Institutes for BioMedical Research // // @@ 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 #pragma once #include "StructChecker.h" namespace RDKit { namespace StructureCheck { RDKIT_STRUCTCHECKER_EXPORT bool StripSmallFragments(RWMol &mol, bool verbose = false); RDKIT_STRUCTCHECKER_EXPORT void AddMWMF( RWMol &mol, bool pre); // set mol formula & mass properties "MW_PRE" or "MW_POST" } // namespace StructureCheck } // namespace RDKit