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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::io::nmr::SpinlabelDatabaseEntry Class Reference

#include <SpinlabelDatabaseHandler.hh>

Inheritance diagram for core::io::nmr::SpinlabelDatabaseEntry:
Inheritance graph
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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
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
void core::io::nmr::SpinlabelDatabaseEntry::set_path_to_ensemble_conformers ( std::string const &  filename)
inline
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
std::string core::io::nmr::SpinlabelDatabaseEntry::ensemble_conformers_
private
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().


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