Torsion identifier class. More...

#include <TorsionID.hh>

Public Member Functions
	TorsionID ()
	Default constructor. More...

	TorsionID (TorsionID const &src)
	Copy constructor. More...

	TorsionID (Size const rsd_in, TorsionType const &type_in, Size const torsion_in)
	Property constructor. More...

Size	rsd () const

Size &	rsd ()

TorsionType	type () const

TorsionType &	type ()

uint	torsion () const

Size &	torsion ()

bool	valid () const
	Is this id valid? More...

Private Attributes
Size	rsd_
	Residue number within the complex. More...

TorsionType	type_
	The type (BB,CHI,JUMP) of this torsion. More...

Size	torsion_
	Torsion number of the given type within the residue. More...

Friends
std::ostream &	operator<< (std::ostream &os, TorsionID const &a)

bool	operator== (TorsionID const &a, TorsionID const &b)

bool	operator!= (TorsionID const &a, TorsionID const &b)

bool	operator< (TorsionID const &a, TorsionID const &b)

Detailed Description

Torsion identifier class.

Consider a few examples to get a better picture for how torsions are uniquely identified:

#include <core/id/types.hh>
using core::id::BB;
TorsionID(253, BB, 1)  // Phi backbone torsion of residue 253.
TorsionID(253, BB, 2)  // Psi backbone torsion of residue 253.
TorsionID(253, BB, 3)  // Omega backbone torsion of residue 253.

Note the order of the elements in construction calls (residue, type, torsion) go from least to most specific.

Constructor & Destructor Documentation

core::id::TorsionID::TorsionID ( )

inline

Default constructor.

core::id::TorsionID::TorsionID ( TorsionID const & src )

inline

Copy constructor.

core::id::TorsionID::TorsionID	(	Size const	rsd_in,
		TorsionType const &	type_in,
		Size const	torsion_in
	)

inline

Property constructor.

Member Function Documentation

Size core::id::TorsionID::rsd ( ) const

inline

References rsd_.

Size& core::id::TorsionID::rsd ( )

inline

References rsd_.

uint core::id::TorsionID::torsion ( ) const

inline

References torsion_.

Referenced by core::conformation::Conformation::dof_id_from_torsion_id(), core::scoring::methods::RamachandranEnergy2B::eval_dof_derivative(), core::scoring::methods::RamachandranEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_dof_derivative(), core::scoring::methods::CartesianBondedEnergy::eval_intraresidue_dof_derivative(), core::scoring::methods::RamachandranEnergy::eval_residue_dof_derivative(), core::scoring::methods::YHHPlanarityEnergy::eval_residue_dof_derivative(), core::scoring::methods::OmegaTetherEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_residue_dof_derivative(), core::scoring::P_AA::get_Paa_pp_deriv(), core::conformation::Conformation::get_torsion_angle_atom_ids(), core::scoring::rna::RNA_TorsionPotential::is_cutpoint_closed_torsion(), core::scoring::methods::OmegaTetherEnergy::old_eval_dof_derivative(), core::conformation::Conformation::set_torsion(), and core::conformation::Conformation::torsion().

Size& core::id::TorsionID::torsion ( )

inline

References torsion_.

TorsionType core::id::TorsionID::type ( ) const

inline

References type_.

Referenced by core::conformation::Conformation::atom_tree_torsion(), core::conformation::Conformation::dof_id_from_torsion_id(), core::scoring::dna::DNAChiEnergy::eval_dof_derivative(), core::scoring::methods::RamachandranEnergy2B::eval_dof_derivative(), core::scoring::methods::RamachandranEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_dof_derivative(), core::scoring::methods::CartesianBondedEnergy::eval_intraresidue_dof_derivative(), core::scoring::methods::RamachandranEnergy::eval_residue_dof_derivative(), core::scoring::methods::YHHPlanarityEnergy::eval_residue_dof_derivative(), core::scoring::methods::OmegaTetherEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_residue_dof_derivative(), core::scoring::P_AA::get_Paa_pp_deriv(), core::conformation::Conformation::get_torsion_angle_atom_ids(), core::scoring::rna::RNA_TorsionPotential::is_cutpoint_closed_torsion(), core::scoring::methods::OmegaTetherEnergy::old_eval_dof_derivative(), core::conformation::Conformation::set_torsion(), and core::conformation::Conformation::torsion().

TorsionType& core::id::TorsionID::type ( )

inline

References type_.

bool core::id::TorsionID::valid ( ) const

inline

Is this id valid?

Note: Must return false for BOGUS_TORSION_ID

References rsd_, and torsion_.

Friends And Related Function Documentation

bool operator!=	(	TorsionID const &	a,
		TorsionID const &	b
	)

friend

bool operator<	(	TorsionID const &	a,
		TorsionID const &	b
	)

friend

std::ostream& operator<<	(	std::ostream &	os,
		TorsionID const &	a
	)

friend

bool operator==	(	TorsionID const &	a,
		TorsionID const &	b
	)

friend

Member Data Documentation

Size core::id::TorsionID::rsd_

private

Residue number within the complex.

Referenced by rsd(), and valid().

Size core::id::TorsionID::torsion_

private

Torsion number of the given type within the residue.

Referenced by torsion(), and valid().

TorsionType core::id::TorsionID::type_

private

The type (BB,CHI,JUMP) of this torsion.

Referenced by type().

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

symlinks/rosetta/src/core/id/TorsionID.hh

Public Member Functions

Private Attributes

Friends

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation