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Public Types | Public Member Functions | Private Attributes | List of all members
protocols::noesy_assign::MethylNames Class Reference

#include <MethylNames.hh>

Public Types

typedef utility::vector1
< std::string > 
AtomList
 
typedef std::map< std::string,
AtomList
NameTable
 
typedef NameTable::const_iterator const_iterator
 

Public Member Functions

 MethylNames ()
 
 MethylNames (core::chemical::AA aa)
 
std::string const & rosetta2nmr (std::string const &proton) const
 
AtomList const & rosetta2methyl (std::string const &proton) const
 
AtomList const & nmr2rosetta (std::string const &proton) const
 
const_iterator begin () const
 
const_iterator end () const
 
core::chemical::AA aa () const
 
std::string aa_name () const
 
core::Size proton_index (std::string const &) const
 
void add_proton (std::string const &nmr, std::string const &rosetta)
 
void add_methyl (std::string const &rosetta, std::string const &methyl)
 

Private Attributes

core::chemical::AA aa_
 
std::map< std::string,
std::string > 
rosetta2nmr_
 
NameTable rosetta2methyl_
 
NameTable nmr2rosetta_
 

Member Typedef Documentation

typedef utility::vector1< std::string > protocols::noesy_assign::MethylNames::AtomList
typedef NameTable::const_iterator protocols::noesy_assign::MethylNames::const_iterator

Constructor & Destructor Documentation

protocols::noesy_assign::MethylNames::MethylNames ( )
protocols::noesy_assign::MethylNames::MethylNames ( core::chemical::AA  aa)

Member Function Documentation

core::chemical::AA protocols::noesy_assign::MethylNames::aa ( ) const
inline

References aa_.

std::string protocols::noesy_assign::MethylNames::aa_name ( ) const
void protocols::noesy_assign::MethylNames::add_methyl ( std::string const &  rosetta,
std::string const &  methyl 
)
void protocols::noesy_assign::MethylNames::add_proton ( std::string const &  nmr,
std::string const &  rosetta 
)
const_iterator protocols::noesy_assign::MethylNames::begin ( ) const
inline

References nmr2rosetta_.

Referenced by proton_index().

const_iterator protocols::noesy_assign::MethylNames::end ( ) const
inline

References nmr2rosetta_.

Referenced by proton_index().

MethylNames::AtomList const & protocols::noesy_assign::MethylNames::nmr2rosetta ( std::string const &  proton) const

References aa_name(), and nmr2rosetta_.

core::Size protocols::noesy_assign::MethylNames::proton_index ( std::string const &  proton) const

References aa_name(), begin(), and end().

MethylNames::AtomList const & protocols::noesy_assign::MethylNames::rosetta2methyl ( std::string const &  proton) const

References aa_name(), and rosetta2methyl_.

std::string const & protocols::noesy_assign::MethylNames::rosetta2nmr ( std::string const &  proton) const

References aa_name(), and rosetta2nmr_.

Member Data Documentation

core::chemical::AA protocols::noesy_assign::MethylNames::aa_
private

Referenced by aa(), aa_name(), add_methyl(), and add_proton().

NameTable protocols::noesy_assign::MethylNames::nmr2rosetta_
private
NameTable protocols::noesy_assign::MethylNames::rosetta2methyl_
private

Referenced by add_methyl(), and rosetta2methyl().

std::map< std::string, std::string > protocols::noesy_assign::MethylNames::rosetta2nmr_
private

Referenced by add_proton(), and rosetta2nmr().


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