#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

Detailed Description

Definition at line 46 of file GreenPacker.hh.

Member Typedef Documentation

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

Definition at line 51 of file GreenPacker.hh.

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

Definition at line 56 of file GreenPacker.hh.

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

Definition at line 53 of file GreenPacker.hh.

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

Definition at line 52 of file GreenPacker.hh.

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

Definition at line 54 of file GreenPacker.hh.

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

Definition at line 55 of file GreenPacker.hh.

Constructor & Destructor Documentation

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

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Definition at line 59 of file GreenPacker.cc.

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

Definition at line 63 of file GreenPacker.cc.

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

Definition at line 306 of file GreenPacker.cc.

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.)

Definition at line 98 of file GreenPacker.cc.

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().