core::io::nmr::SpinlabelDatabaseEntry Class Reference

#include <SpinlabelDatabaseHandler.hh>

Inheritance diagram for core::io::nmr::SpinlabelDatabaseEntry:

Public Member Functions
	SpinlabelDatabaseEntry (std::string const &fullname, std::string const &threelettercode, char const &onelettercode, std::string const &radicalatom)
	Construct from full spinlabel name, 3-letter code, 1-letter code and radical atom name. More...
	~SpinlabelDatabaseEntry () override
	Destructor. More...
std::string const &	fullname () const
std::string const &	three_letter_code () const
char const &	one_letter_code () const
std::string const &	radical_atom () const
std::string const &	distance_potential_histogram () const
std::string const &	ensemble_conformers () const
void	set_path_to_distance_potential_histogram (std::string const &filename)
void	set_path_to_ensemble_conformers (std::string const &filename)

Private Member Functions
	SpinlabelDatabaseEntry ()
	Empty default constructor. More...

Private Attributes
std::string	fullname_
std::string	three_letter_code_
char	one_letter_code_
std::string	radical_atom_
std::string	distance_potential_histogram_
std::string	ensemble_conformers_

Constructor & Destructor Documentation

core::io::nmr::SpinlabelDatabaseEntry::SpinlabelDatabaseEntry ( )

private

Empty default constructor.

core::io::nmr::SpinlabelDatabaseEntry::SpinlabelDatabaseEntry	(	std::string const &	fullname,
		std::string const &	threelettercode,
		char const &	onelettercode,
		std::string const &	radicalatom
	)

Construct from full spinlabel name, 3-letter code, 1-letter code and radical atom name.

core::io::nmr::SpinlabelDatabaseEntry::~SpinlabelDatabaseEntry ( )

override

Destructor.

Member Function Documentation

std::string const& core::io::nmr::SpinlabelDatabaseEntry::distance_potential_histogram ( ) const

inline

References distance_potential_histogram_.

std::string const& core::io::nmr::SpinlabelDatabaseEntry::ensemble_conformers ( ) const

inline

References ensemble_conformers_.

std::string const& core::io::nmr::SpinlabelDatabaseEntry::fullname ( ) const

inline

References fullname_.

char const& core::io::nmr::SpinlabelDatabaseEntry::one_letter_code ( ) const

inline

References one_letter_code_.

std::string const& core::io::nmr::SpinlabelDatabaseEntry::radical_atom ( ) const

inline

References radical_atom_.

void core::io::nmr::SpinlabelDatabaseEntry::set_path_to_distance_potential_histogram ( std::string const &  filename )

inline

References distance_potential_histogram_, and protocols::abinitio::filename().

Referenced by core::io::nmr::read_in_database_file().

void core::io::nmr::SpinlabelDatabaseEntry::set_path_to_ensemble_conformers ( std::string const &  filename )

inline

References ensemble_conformers_, and protocols::abinitio::filename().

Referenced by core::io::nmr::read_in_database_file().

std::string const& core::io::nmr::SpinlabelDatabaseEntry::three_letter_code ( ) const

inline

References three_letter_code_.

Member Data Documentation

std::string core::io::nmr::SpinlabelDatabaseEntry::distance_potential_histogram_

private

Referenced by distance_potential_histogram(), and set_path_to_distance_potential_histogram().

std::string core::io::nmr::SpinlabelDatabaseEntry::ensemble_conformers_

private

Referenced by ensemble_conformers(), and set_path_to_ensemble_conformers().

std::string core::io::nmr::SpinlabelDatabaseEntry::fullname_

private

Referenced by fullname().

char core::io::nmr::SpinlabelDatabaseEntry::one_letter_code_

private

Referenced by one_letter_code().

std::string core::io::nmr::SpinlabelDatabaseEntry::radical_atom_

private

Referenced by radical_atom().

std::string core::io::nmr::SpinlabelDatabaseEntry::three_letter_code_

private

Referenced by three_letter_code().

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

• src/core/io/nmr/SpinlabelDatabaseHandler.hh
• src/core/io/nmr/SpinlabelDatabaseHandler.cc