#include <GreenPacker.hh>

Inheritance diagram for protocols::simple_moves::MinimalRotamer:

Collaboration diagram for protocols::simple_moves::MinimalRotamer:

Public Types
typedef core::chemical::AA	AA

typedef core::chemical::ResidueType	ResidueType

typedef core::conformation::Residue	Residue

typedef core::Size	Size

typedef core::Vector	Vector

typedef core::Real	Real

Public Member Functions
virtual	~MinimalRotamer ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...

	MinimalRotamer (Residue const &)

bool	same (MinimalRotamer const &) const

bool	same_residue_type (MinimalRotamer const &) const

AA	aa () const

Private Member Functions
bool	has_ideal_geometry (core::conformation::Residue const &res) const

bool	atom_is_ideal (core::conformation::Residue const &res, Size const atom_id) const

void	record_chi (core::conformation::Residue const &res)

void	record_internal_geometry (core::conformation::Residue const &res)

void	record_internal_geometry (core::conformation::Residue const &res, Size const atom_id)

bool	chi_matches_coords (core::conformation::Residue const &res, Size chi_index) const

bool	same_chi (MinimalRotamer const &other) const
	This tolerance may need fiddling with More...

bool	same_nonideal_geometry (MinimalRotamer const &other) const
	These tolerances may need fiddling with More...

	MinimalRotamer ()

MinimalRotamer const &	operator= (MinimalRotamer const &)

Private Attributes
ResidueType const &	residue_type_

bool	ideal_geometry_

utility::vector1< Real >	chi_

utility::vector1< Vector >	internal_geometry_

Static Private Attributes
static Size const	d = 0

static Size const	theta = 1

static Size const	phi = 2

Member Typedef Documentation

typedef core::chemical::AA protocols::simple_moves::MinimalRotamer::AA

typedef core::Real protocols::simple_moves::MinimalRotamer::Real

typedef core::conformation::Residue protocols::simple_moves::MinimalRotamer::Residue

typedef core::chemical::ResidueType protocols::simple_moves::MinimalRotamer::ResidueType

typedef core::Size protocols::simple_moves::MinimalRotamer::Size

typedef core::Vector protocols::simple_moves::MinimalRotamer::Vector

Constructor & Destructor Documentation

protocols::simple_moves::MinimalRotamer::~MinimalRotamer ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

protocols::simple_moves::MinimalRotamer::MinimalRotamer ( Residue const & res)

References has_ideal_geometry(), ideal_geometry_, record_chi(), and record_internal_geometry().

protocols::simple_moves::MinimalRotamer::MinimalRotamer ( )

private

No default constructor or assignment operator copy c-tor is fine

Member Function Documentation

core::chemical::AA protocols::simple_moves::MinimalRotamer::aa ( ) const

References core::chemical::ResidueType::aa(), and residue_type_.

bool protocols::simple_moves::MinimalRotamer::atom_is_ideal	(	core::conformation::Residue const &	res,
		Size const	atom_id
	)		const

private

Assumption: sidechain ideal coordinates do not depend on other residues ( as opposed to the backbone O for example, which depends on the coordinates of i+1.)

References core::chemical::ICoorAtomID::atomno(), core::chemical::ResidueType::chi_atoms(), core::chemical::ResidueType::icoor(), core::chemical::ResidueType::nchi(), core::chemical::AtomICoor::stub_atom1(), core::conformation::Residue::type(), and core::conformation::Residue::xyz().

Referenced by has_ideal_geometry().

bool protocols::simple_moves::MinimalRotamer::chi_matches_coords	(	core::conformation::Residue const &	res,
		Size	chi_index
	)		const

private

References core::conformation::Residue::chi(), core::chemical::ResidueType::chi_atoms(), core::conformation::Residue::type(), and core::conformation::Residue::xyz().

Referenced by record_chi().

bool protocols::simple_moves::MinimalRotamer::has_ideal_geometry ( core::conformation::Residue const & res) const

private

References atom_is_ideal(), core::chemical::ResidueType::attached_H_begin(), core::chemical::ResidueType::attached_H_end(), core::chemical::ResidueType::first_sidechain_atom(), core::chemical::ResidueType::nheavyatoms(), and core::conformation::Residue::type().

Referenced by MinimalRotamer().

MinimalRotamer const& protocols::simple_moves::MinimalRotamer::operator= ( MinimalRotamer const & )

private

void protocols::simple_moves::MinimalRotamer::record_chi ( core::conformation::Residue const & res)

private

References core::conformation::Residue::chi(), chi_, chi_matches_coords(), core::chemical::ResidueType::nchi(), and core::conformation::Residue::type().

Referenced by MinimalRotamer().

void protocols::simple_moves::MinimalRotamer::record_internal_geometry ( core::conformation::Residue const & res)

private

only record internal geometry for sidechain atoms

References core::chemical::ResidueType::attached_H_begin(), core::chemical::ResidueType::attached_H_end(), core::chemical::ResidueType::first_sidechain_atom(), internal_geometry_, core::conformation::Residue::natoms(), core::chemical::ResidueType::nheavyatoms(), and core::conformation::Residue::type().

Referenced by MinimalRotamer().

void protocols::simple_moves::MinimalRotamer::record_internal_geometry	(	core::conformation::Residue const &	res,
		Size const	atom_id
	)

private

References core::chemical::ICoorAtomID::atomno(), d, core::chemical::ResidueType::icoor(), internal_geometry_, phi, core::chemical::AtomICoor::stub_atom1(), theta, core::conformation::Residue::type(), and core::conformation::Residue::xyz().

bool protocols::simple_moves::MinimalRotamer::same ( MinimalRotamer const & other) const

References ideal_geometry_, residue_type_, same_chi(), and same_nonideal_geometry().

bool protocols::simple_moves::MinimalRotamer::same_chi ( MinimalRotamer const & other) const

private

This tolerance may need fiddling with

References chi_, and ideal_geometry_.

Referenced by same().

bool protocols::simple_moves::MinimalRotamer::same_nonideal_geometry ( MinimalRotamer const & other) const

private

These tolerances may need fiddling with

References d, ideal_geometry_, internal_geometry_, phi, and theta.

Referenced by same().

bool protocols::simple_moves::MinimalRotamer::same_residue_type ( MinimalRotamer const & other) const

References residue_type_.

Member Data Documentation

utility::vector1< Real > protocols::simple_moves::MinimalRotamer::chi_

private

Referenced by record_chi(), and same_chi().

Size const protocols::simple_moves::MinimalRotamer::d = 0

staticprivate

Referenced by record_internal_geometry(), and same_nonideal_geometry().

bool protocols::simple_moves::MinimalRotamer::ideal_geometry_

private

Referenced by MinimalRotamer(), same(), same_chi(), and same_nonideal_geometry().

utility::vector1< Vector > protocols::simple_moves::MinimalRotamer::internal_geometry_

private

Referenced by record_internal_geometry(), and same_nonideal_geometry().

Size const protocols::simple_moves::MinimalRotamer::phi = 2

staticprivate

Referenced by record_internal_geometry(), and same_nonideal_geometry().

ResidueType const& protocols::simple_moves::MinimalRotamer::residue_type_

private

Referenced by aa(), same(), and same_residue_type().

Size const protocols::simple_moves::MinimalRotamer::theta = 1

staticprivate

Referenced by record_internal_geometry(), and same_nonideal_geometry().

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

src/protocols/simple_moves/GreenPacker.hh
src/protocols/simple_moves/GreenPacker.cc

Public Types

Public Member Functions

Private Member Functions

Private Attributes

Static Private Attributes

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation