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().

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

• src/core/chemical/sdf/SDFParser.hh
• src/core/chemical/sdf/SDFParser.cc