#include <BBTorsionAndAnglesSRFD.hh>

Inheritance diagram for core::fragment::BBTorsionAndAnglesSRFD:

Collaboration diagram for core::fragment::BBTorsionAndAnglesSRFD:

Public Member Functions
	BBTorsionAndAnglesSRFD ()
	default constructor More...

	BBTorsionAndAnglesSRFD (utility::vector1< AngleInfo > &angles_in, Size const nbb_in=3, char secstruct= 'X', char sequence= 'X')

SingleResidueFragDataOP	clone () const
	clone this object More...

virtual SingleResidueFragDataOP	create () const
	create a new instance of this object More...

virtual bool	apply (pose::Pose &, Size seq_pos) const
	insert all backbone torsions into pose at position seq_pos More...

virtual bool	apply (kinematics::MoveMap const &movemap, pose::Pose &pose, Size const seqpos) const
	insert backbone torsions and angles into pose at position seqpos if all bb torsions are moveable in MoveMap More...

virtual bool	steal (pose::Pose const &, Size seq_pos)
	insert fragment_data into pose at position seq_pos More...

virtual bool	is_compatible (SingleResidueFragData const &) const
	check weather SRFD applies to same dofs and is of same type More...

virtual bool	is_applicable (kinematics::MoveMap const &, Size seq_pos) const

virtual void	show (std::ostream &out) const

virtual void	read (std::istream &in)

virtual std::string	type () const

core::Size	nangles () const

Public Member Functions inherited from core::fragment::BBTorsionSRFD
	BBTorsionSRFD (Size const nbb_in=3, char secstruct= 'X', char sequence= 'X')
	constructor More...

BBTorsionSRFD &	operator= (BBTorsionSRFD const &rval)
	copy assignment More...

Size	nbb () const
	number of backbone torsions described by this fragment More...

void	set_torsion (Size const tor, Real const setting)
	set value for specific torsion in this piece of fragment. More...

Real	torsion (Size const torsion_number) const
	get the value for a specific torsion in this fragment More...

bool	has_coordinates () const
	Returns true if this instance contains cartesian coordinates, false otherwise. Coordinates are available if the <write_ca_coords> option is enabled in the new fragment picker and rosetta++ fragments are used. More...

Real	x () const
	Returns the x coordinate of this residue's CA. More...

Real	y () const
	Returns the y coordinate of this residue's CA. More...

Real	z () const
	Returns the z coordinate of this residue's CA. More...

void	set_coordinates (Real x, Real y, Real z)
	Convenience method for setting this residue's CA coordinates all at once. More...

virtual void	read_data (std::istream &in)
	Default implementation: noop. More...

Public Member Functions inherited from core::fragment::SecstructSRFD
	SecstructSRFD (char secstruct= 'X', char sequence= 'X')

SingleResidueFragDataOP	clone () const

virtual char	secstruct () const
	get secstruct for this position More...

void	set_secstruct (char const ss)

virtual bool	apply_ss (std::string &, Size seq_pos) const
	insert fragment_data sec-struct into ss-string at position seq_pos More...

Public Member Functions inherited from core::fragment::SingleResidueFragData
virtual	~SingleResidueFragData ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...

	SingleResidueFragData (char sequence)

	SingleResidueFragData ()

virtual bool	apply (pose::Pose &, Size const intra_frame_pos, Frame const &) const
	insert fragment_data into pose at position given by Frame.seqpos( intra_frame_pos ); More...

virtual bool	apply (kinematics::MoveMap const &movemap, pose::Pose &pose, Size const intra_frame_pos, Frame const &frame) const
	insert fragment_data into pose at position given by Frame.seqpos( intra_frame_pos ) for dofs that are allowed to move in the MoveMap More...

virtual bool	apply_ss (std::string &, Size intra_frame_pos, Frame const &) const
	insert fragment_data sec-struct into ss-string at position seq_pos More...

virtual bool	steal (pose::Pose const &, Size intra_frame_pos, Frame const &)
	insert fragment_data into pose at position seq_pos More...

virtual bool	is_applicable (kinematics::MoveMap const &, Size intra_frame_pos, Frame const &) const
	check weather dofs can be moved More...

void	set_sequence (char const sequence)

char	sequence () const

Static Public Member Functions
static std::string	_static_type_name ()

Static Public Member Functions inherited from core::fragment::BBTorsionSRFD
static std::string	_static_type_name ()

Static Public Member Functions inherited from core::fragment::SecstructSRFD
static std::string	_static_type_name ()

Static Public Member Functions inherited from core::fragment::SingleResidueFragData
static std::string	_static_type_name ()

Private Types
typedef BBTorsionSRFD	Parent

typedef std::pair< std::vector < Size >, Real >	AngleInfo

Private Attributes
utility::vector1< AngleInfo >	angles_

Additional Inherited Members
Protected Attributes inherited from core::fragment::SingleResidueFragData
char	sequence_

Detailed Description

Definition at line 52 of file BBTorsionAndAnglesSRFD.hh.

Member Typedef Documentation

typedef std::pair<std::vector<Size>, Real> core::fragment::BBTorsionAndAnglesSRFD::AngleInfo

private

Definition at line 54 of file BBTorsionAndAnglesSRFD.hh.

typedef BBTorsionSRFD core::fragment::BBTorsionAndAnglesSRFD::Parent

private

Definition at line 53 of file BBTorsionAndAnglesSRFD.hh.

Constructor & Destructor Documentation

core::fragment::BBTorsionAndAnglesSRFD::BBTorsionAndAnglesSRFD ( )

inline

default constructor

Definition at line 57 of file BBTorsionAndAnglesSRFD.hh.

Referenced by clone(), and create().

core::fragment::BBTorsionAndAnglesSRFD::BBTorsionAndAnglesSRFD	(	utility::vector1< AngleInfo > &	angles_in,
		Size const	nbb_in = `3`,
		char	secstruct = `'X'`,
		char	sequence = `'X'`
	)

inline

Definition at line 59 of file BBTorsionAndAnglesSRFD.hh.

Member Function Documentation

static std::string core::fragment::BBTorsionAndAnglesSRFD::_static_type_name ( )

inlinestatic

Definition at line 104 of file BBTorsionAndAnglesSRFD.hh.

Referenced by type().

bool core::fragment::BBTorsionAndAnglesSRFD::apply	(	pose::Pose &	pose,
		Size	seq_pos
	)		const

virtual

insert all backbone torsions into pose at position seq_pos

Reimplemented from core::fragment::BBTorsionSRFD.

Definition at line 36 of file BBTorsionAndAnglesSRFD.cc.

References angles_, core::fragment::BBTorsionSRFD::apply(), core::pose::Pose::conformation(), and core::conformation::Conformation::set_bond_angle().

bool core::fragment::BBTorsionAndAnglesSRFD::apply	(	kinematics::MoveMap const &	movemap,
		pose::Pose &	pose,
		Size const	seqpos
	)		const

virtual

insert backbone torsions and angles into pose at position seqpos if all bb torsions are moveable in MoveMap

Returns: True if all torsions and angles are inserted and superclass apply() is successful, otherwise False.

Remarks: This is currently all or nothing – all torsions for seqpos must be moveable because it's not entirely clear what the behavior of partial angle insertion is. In addition, DOF_IDs are not made explicitly available within this class, meaning there is no way to look them up within the MoveMap; the implementation in this class must be changed if this is desired.

Reimplemented from core::fragment::BBTorsionSRFD.

Definition at line 63 of file BBTorsionAndAnglesSRFD.cc.

References angles_, core::fragment::BBTorsionSRFD::apply(), core::id::BB, core::pose::Pose::conformation(), core::kinematics::MoveMap::get(), core::fragment::BBTorsionSRFD::nbb(), and core::conformation::Conformation::set_bond_angle().