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

typedef std::map< std::string, AtomList > protocols::noesy_assign::MethylNames::NameTable

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

References aa_, and core::chemical::name_from_aa().

Referenced by nmr2rosetta(), proton_index(), rosetta2methyl(), and rosetta2nmr().

void protocols::noesy_assign::MethylNames::add_methyl	(	std::string const &	rosetta,
		std::string const &	methyl
	)

References aa_, nmr2rosetta_, rosetta2methyl_, and protocols::noesy_assign::tr().

void protocols::noesy_assign::MethylNames::add_proton	(	std::string const &	nmr,
		std::string const &	rosetta
	)

References aa_, nmr2rosetta_, rosetta2nmr_, and protocols::noesy_assign::tr().

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

Referenced by add_methyl(), add_proton(), begin(), end(), and nmr2rosetta().

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().

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

• src/protocols/noesy_assign/MethylNames.hh
• src/protocols/noesy_assign/MethylNames.cc