protocols::jumping::ResiduePairJumpSingle Class Reference

a single residue component of a ResiduePairJump class More...

#include <ResiduePairJump.hh>

Inheritance diagram for protocols::jumping::ResiduePairJumpSingle:

Public Member Functions
	ResiduePairJumpSingle ()
	empty constructor More...
	~ResiduePairJumpSingle () override
	ResiduePairJumpSingle (core::chemical::ResidueType const &residue_type)
	constructed by residue_type More...
bool	jumpAtoms_defined () const
	have jumpAtoms been defined? More...
bool	cstAtoms_defined () const
	have cstAtoms been defined? More...
bool	fixResidue () const
	whether this residue has internal flexibility More...
core::chemical::ResidueTypeCOP	residueType () const
	access residue type More...
utility::vector1< std::string > const &	jumpAtoms () const
	access all three jumpAtoms at once More...
std::string const	jumpAtoms (core::Size i) const
	access single jumpAtom one at a time More...
utility::vector1< std::string > const &	cstAtoms () const
	access all three cstAtoms at once More...
std::string const	cstAtoms (core::Size i) const
	access single cstAtom one at a time More...
void	set_jumpAtoms (utility::vector1< std::string > const &jump_atoms)
	set all three jumpAtoms at once More...
void	set_jumpAtoms (core::Size i, std::string const &atom_name)
	set single jumpAtom one at a time More...
void	set_cstAtoms (utility::vector1< std::string > const &cst_atoms)
	set all three cstAtoms at once More...
void	set_cstAtoms (core::Size i, std::string const &atom_name)
	set all single cstAtom one at a time More...

Private Attributes
core::chemical::ResidueTypeCOP	residueType_
	internal data – residue type More...
utility::vector1< std::string >	jumpAtoms_
	internal data – atom names (3) for creating the jump More...
utility::vector1< std::string >	cstAtoms_
	internal data – atom names (3) for defining cst More...
bool	fixResidue_
	internal data – whether to consider internal flexibility within this residue More...

Detailed Description

a single residue component of a ResiduePairJump class

a residue type with information which atoms to be used to define a jump and cst.

Constructor & Destructor Documentation

protocols::jumping::ResiduePairJumpSingle::ResiduePairJumpSingle ( )

default

empty constructor

protocols::jumping::ResiduePairJumpSingle::~ResiduePairJumpSingle ( )

overridedefault

protocols::jumping::ResiduePairJumpSingle::ResiduePairJumpSingle

(

core::chemical::ResidueType const &

residue_type

)

constructed by residue_type

Member Function Documentation

utility::vector1< std::string > const& protocols::jumping::ResiduePairJumpSingle::cstAtoms ( ) const

inline

access all three cstAtoms at once

References cstAtoms_.

std::string const protocols::jumping::ResiduePairJumpSingle::cstAtoms ( core::Size  i ) const

inline

access single cstAtom one at a time

References cstAtoms_.

bool protocols::jumping::ResiduePairJumpSingle::cstAtoms_defined ( ) const

inline

have cstAtoms been defined?

References cstAtoms_.

bool protocols::jumping::ResiduePairJumpSingle::fixResidue ( ) const

inline

whether this residue has internal flexibility

References fixResidue_.

utility::vector1< std::string > const& protocols::jumping::ResiduePairJumpSingle::jumpAtoms ( ) const

inline

access all three jumpAtoms at once

References jumpAtoms_.

std::string const protocols::jumping::ResiduePairJumpSingle::jumpAtoms ( core::Size  i ) const

inline

access single jumpAtom one at a time

References jumpAtoms_.

bool protocols::jumping::ResiduePairJumpSingle::jumpAtoms_defined ( ) const

inline

have jumpAtoms been defined?

References jumpAtoms_.

core::chemical::ResidueTypeCOP protocols::jumping::ResiduePairJumpSingle::residueType

(

)

const

access residue type

References residueType_.

void protocols::jumping::ResiduePairJumpSingle::set_cstAtoms

(

utility::vector1< std::string > const &

cst_atoms

)

set all three cstAtoms at once

References cstAtoms_.

void protocols::jumping::ResiduePairJumpSingle::set_cstAtoms	(	core::Size	i,
		std::string const &	atom_name
	)

set all single cstAtom one at a time

References cstAtoms_.

void protocols::jumping::ResiduePairJumpSingle::set_jumpAtoms

(

utility::vector1< std::string > const &

jump_atoms

)

set all three jumpAtoms at once

References jumpAtoms_.

void protocols::jumping::ResiduePairJumpSingle::set_jumpAtoms	(	core::Size	i,
		std::string const &	atom_name
	)

set single jumpAtom one at a time

References jumpAtoms_.

Member Data Documentation

utility::vector1< std::string > protocols::jumping::ResiduePairJumpSingle::cstAtoms_

private

internal data – atom names (3) for defining cst

Referenced by cstAtoms(), cstAtoms_defined(), and set_cstAtoms().

bool protocols::jumping::ResiduePairJumpSingle::fixResidue_

private

internal data – whether to consider internal flexibility within this residue

Referenced by fixResidue().

utility::vector1< std::string > protocols::jumping::ResiduePairJumpSingle::jumpAtoms_

private

internal data – atom names (3) for creating the jump

Referenced by jumpAtoms(), jumpAtoms_defined(), and set_jumpAtoms().

core::chemical::ResidueTypeCOP protocols::jumping::ResiduePairJumpSingle::residueType_

private

internal data – residue type

Referenced by residueType().

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

• src/protocols/jumping/ResiduePairJump.hh
• src/protocols/jumping/ResiduePairJump.cc