// // Copyright (C) 2024 Greg Landrum and other RDKit contributors // // @@ 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 #ifndef RD_MOLPROCESSING_H #define RD_MOLPROCESSING_H #include #include #include #include #include #include #include #ifdef RDK_BUILD_THREADSAFE_SSS #include #include #endif namespace RDKit { namespace MolProcessing { namespace details { RDKIT_MOLPROCESSING_EXPORT extern GeneralMolSupplier::SupplierOptions defaultSupplierOptions; } template std::vector> getFingerprintsForMolsInFile( const std::string &fileName, const GeneralMolSupplier::SupplierOptions &options = details::defaultSupplierOptions, FingerprintGenerator *generator = nullptr); } // namespace MolProcessing } // namespace RDKit #endif