core::chemical::sdf::CtabV3000Parser Class Reference

#include <CtabV3000Parser.hh>

Inheritance diagram for core::chemical::sdf::CtabV3000Parser:

Public Member Functions
	~CtabV3000Parser () override
bool	parse (std::istream &tablein, std::string const &headerline, MolFileIOMolecule &molecule) override
Public Member Functions inherited from core::chemical::sdf::CtabParserBase
	CtabParserBase ()
virtual	~CtabParserBase ()

Private Member Functions
virtual bool	parse_atom_line (std::string line, MolFileIOAtom &atom)
virtual bool	parse_bond_line (std::string line, MolFileIOBond &bond)
void	getline (std::istream &istream, std::string line) const
	Having a '-' at the end of the line is a continuation character for V3000 sdf files. More...
void	splitkv (std::string const &kvpair, std::string &key, std::string &value) const
	Split a key value pair on the first equals sign. More...

Constructor & Destructor Documentation

core::chemical::sdf::CtabV3000Parser::~CtabV3000Parser ( )

inlineoverride

Member Function Documentation

void core::chemical::sdf::CtabV3000Parser::getline ( std::istream &  istream, std::string  line  ) const

private

Having a '-' at the end of the line is a continuation character for V3000 sdf files.

bool core::chemical::sdf::CtabV3000Parser::parse ( std::istream &  tablein, std::string const &  headerline, MolFileIOMolecule &  molecule  )

overridevirtual

Implements core::chemical::sdf::CtabParserBase.

References core::chemical::sdf::MolFileIOMolecule::add_atom(), core::chemical::sdf::MolFileIOMolecule::add_bond(), protocols::sparta::contains(), parse_atom_line(), and parse_bond_line().

Referenced by core::chemical::sdf::SDFParser::parse().

bool core::chemical::sdf::CtabV3000Parser::parse_atom_line ( std::string  line, MolFileIOAtom &  atom  )

privatevirtual

References core::chemical::sdf::MolFileIOAtom::element(), core::chemical::sdf::MolFileIOAtom::formal_charge(), core::chemical::sdf::MolFileIOAtom::index(), core::chemical::sdf::MolFileIOAtom::position(), splitkv(), and core::chemical::sdf::TR().

Referenced by parse().

bool core::chemical::sdf::CtabV3000Parser::parse_bond_line ( std::string  line, MolFileIOBond &  bond  )

privatevirtual

References core::chemical::sdf::MolFileIOBond::atom1(), core::chemical::sdf::MolFileIOBond::atom2(), core::chemical::sdf::MolFileIOBond::index(), core::chemical::sdf::MolFileIOBond::sdf_type(), and core::chemical::sdf::TR().

Referenced by parse().

void core::chemical::sdf::CtabV3000Parser::splitkv ( std::string const &  kvpair, std::string &  key, std::string &  value  ) const

private

Split a key value pair on the first equals sign.

Referenced by parse_atom_line().

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

• src/core/chemical/sdf/CtabV3000Parser.hh
• src/core/chemical/sdf/CtabV3000Parser.cc