// // Copyright (C) 2004-2006 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 #ifndef __FEATUREPARSER_H_02122004_1810__ #define __FEATUREPARSER_H_02122004_1810__ #include #include #include #include "MolChemicalFeatureDef.h" namespace RDKit { //! \brief class used to indicate errors in parsing feature definition //! files. class RDKIT_MOLCHEMICALFEATURES_EXPORT FeatureFileParseException : public std::exception { public: FeatureFileParseException(unsigned int lineNo, std::string line, std::string msg) : d_lineNo(lineNo), d_line(std::move(line)), d_msg(std::move(msg)) {} unsigned int lineNo() const { return d_lineNo; } std::string line() const { return d_line; } const char *what() const noexcept override { return d_msg.c_str(); } ~FeatureFileParseException() noexcept override = default; private: unsigned int d_lineNo; std::string d_line, d_msg; }; RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData( const std::string &defnText, MolChemicalFeatureDef::CollectionType &featDefs); RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData( std::istream &istream, MolChemicalFeatureDef::CollectionType &featDefs); RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureFile( const std::string &fileName, MolChemicalFeatureDef::CollectionType &featDefs); namespace Local { // these functions are exposed only so they can be tested RDKIT_MOLCHEMICALFEATURES_EXPORT void parseAtomType( const std::string &inLine, std::map &atomTypeDefs, const unsigned int &lineNo); RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureDef *parseFeatureDef( std::istream &inStream, const std::string &inLine, unsigned int &lineNo, const std::map &atomTypeDefs); } // namespace Local } // end of namespace RDKit #endif