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Public Member Functions | Private Member Functions | List of all members
core::chemical::sdf::SDFParser Class Reference

#include <SDFParser.hh>

Public Member Functions

 SDFParser ()
 
virtual ~SDFParser ()
 
utility::vector1
< MolFileIOMoleculeOP
parse (std::istream &filein, core::Size n_entries=0)
 parse the given input stream. n_entries are the maximum number of entries to parse - of zero parse all the remaining ones. More...
 

Private Member Functions

void parse_optional_data (std::istream &filein, MolFileIOMolecule &molecule)
 Parse the optional data lines in sdf file. Will consume lines up to and including the EOF or the '$$$$' delimeter. More...
 
void eat_until_delimiter (std::istream &filein) const
 Ignore everything up to and including the next '$$$$' entry delimeter. More...
 

Constructor & Destructor Documentation

core::chemical::sdf::SDFParser::SDFParser ( )
inline
virtual core::chemical::sdf::SDFParser::~SDFParser ( )
inlinevirtual

Member Function Documentation

void core::chemical::sdf::SDFParser::eat_until_delimiter ( std::istream &  filein) const
private

Ignore everything up to and including the next '$$$$' entry delimeter.

Referenced by parse().

utility::vector1< MolFileIOMoleculeOP > core::chemical::sdf::SDFParser::parse ( std::istream &  filein,
core::Size  n_entries = 0 
)

parse the given input stream. n_entries are the maximum number of entries to parse - of zero parse all the remaining ones.

References protocols::sparta::contains(), eat_until_delimiter(), core::chemical::sdf::CtabV2000Parser::parse(), core::chemical::sdf::CtabV3000Parser::parse(), parse_optional_data(), and core::chemical::sdf::TR().

Referenced by core::chemical::sdf::MolFileIOReader::parse_file().

void core::chemical::sdf::SDFParser::parse_optional_data ( std::istream &  filein,
MolFileIOMolecule molecule 
)
private

Parse the optional data lines in sdf file. Will consume lines up to and including the EOF or the '$$$$' delimeter.

References core::chemical::sdf::MolFileIOMolecule::add_str_str_data(), and core::chemical::sdf::TR().

Referenced by parse().


The documentation for this class was generated from the following files: