protocols::simple_moves::bb_sampler::SmallBBSampler Class Reference

A bb sampler that samples within a range of a starting angle. Similar to small mover. Samples an angle +/- the current angle. If angle max is not set, will sample any angle. More...

#include <SmallBBSampler.hh>

Inheritance diagram for protocols::simple_moves::bb_sampler::SmallBBSampler:

Public Member Functions
	SmallBBSampler ()
	SmallBBSampler (core::Real all_ss_angle_max)
	SmallBBSampler (core::id::MainchainTorsionType torsion_type)
	SmallBBSampler (core::id::MainchainTorsionType torsion_type, core::Real all_ss_angle_max)
core::Real	get_torsion (core::pose::Pose const &pose, core::Size resnum) const override
void	set_torsion_to_pose (core::pose::Pose &pose, core::Size resnum) const override
	Set torsions to pose. More...
void	set_angle_max (core::Angle const angle)
	Sets the maximum angle of perturbation, independent of secondary structure. new_angle = old_angle +/- ( angle_max/2 ) More...
void	set_angle_max (char const type, core::Angle const angle)
	Sets the max angle of perturbation for residues with <type> secondary structure. (<type> must be 'H', 'E', or 'L'.) new_angle = old_angle +/- ( angle_max/2 ) More...
void	set_angle_max (std::map< char, core::Angle > angle_max_in)
	Sets the max angle of perturbation, for secondary structures 'H', 'E', and 'L'. new_angle = old_angle +/- ( angle_max/2 ) More...
core::Real	get_angle_max (char const type) const
	Gets the max angle of perturbation for residues with <type> secondary structure. (<type> must be 'H', 'E', or 'L'.) More...
	SmallBBSampler (SmallBBSampler const &src)
	~SmallBBSampler () override
SmallBBSamplerOP	clone () const
std::string	get_name () const override
Public Member Functions inherited from protocols::simple_moves::bb_sampler::BBDihedralSampler
	BBDihedralSampler ()
	BBDihedralSampler (core::id::MainchainTorsionType torsion_type, BBSampleType sampling_type=probability)
	BBDihedralSampler (BBDihedralSampler const &src)
	~BBDihedralSampler () override
BBDihedralSamplerOP	clone () const
Public Member Functions inherited from protocols::simple_moves::bb_sampler::BBDihedralSamplerBase
	BBDihedralSamplerBase ()
	BBDihedralSamplerBase (core::id::MainchainTorsionType torsion_type, BBSampleType sampling_type=probability)
	BBDihedralSamplerBase (BBDihedralSamplerBase const &src)
	~BBDihedralSamplerBase () override
BBDihedralSamplerBaseOP	clone () const
void	set_torsion_type (core::id::MainchainTorsionType torsion_type)
	Set the torsion type we will be querying. More...
core::Size	get_torsion_type () const
void	set_sample_type (BBSampleType sampling_type)
	Set the sampling type. Default is to sample probabilistically on the data. More...

Private Attributes
std::map< char, core::Angle >	angle_max_
	max allowed angle-change as a function of ss type More...

Additional Inherited Members
Protected Attributes inherited from protocols::simple_moves::bb_sampler::BBDihedralSamplerBase
core::id::MainchainTorsionType	torsion_type_
BBSampleType	sampling_type_

Detailed Description

A bb sampler that samples within a range of a starting angle. Similar to small mover. Samples an angle +/- the current angle. If angle max is not set, will sample any angle.

new_angle = old_angle +/- ( angle_max/2 )

Constructor & Destructor Documentation

protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler

(

)

References set_angle_max().

protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler

(

core::Real

all_ss_angle_max

)

References set_angle_max().

protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler

(

core::id::MainchainTorsionType

torsion_type

)

References set_angle_max(), and protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::torsion_type_.

protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler	(	core::id::MainchainTorsionType	torsion_type,
		core::Real	all_ss_angle_max
	)

References set_angle_max(), and protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::torsion_type_.

protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler ( SmallBBSampler const &  src )

default

protocols::simple_moves::bb_sampler::SmallBBSampler::~SmallBBSampler ( )

overridedefault

Member Function Documentation

SmallBBSamplerOP protocols::simple_moves::bb_sampler::SmallBBSampler::clone

(

)

const

core::Real protocols::simple_moves::bb_sampler::SmallBBSampler::get_angle_max

(

char const

type

)

const

Gets the max angle of perturbation for residues with <type> secondary structure. (<type> must be 'H', 'E', or 'L'.)

Example: bbmover.angle_max('H')

See also: ShearMover SmallMover

References angle_max_.

Referenced by get_torsion().

std::string protocols::simple_moves::bb_sampler::SmallBBSampler::get_name ( ) const

inlineoverridevirtual

Reimplemented from protocols::simple_moves::bb_sampler::BBDihedralSampler.

core::Real protocols::simple_moves::bb_sampler::SmallBBSampler::get_torsion ( core::pose::Pose const &  pose, core::Size  resnum  ) const

overridevirtual

Implements protocols::simple_moves::bb_sampler::BBDihedralSampler.

References get_angle_max(), core::pose::get_bb_torsion(), core::scoring::rg, core::pose::Pose::secstruct(), and protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::torsion_type_.

Referenced by set_torsion_to_pose().

void protocols::simple_moves::bb_sampler::SmallBBSampler::set_angle_max

(

core::Angle const

angle

)

Sets the maximum angle of perturbation, independent of secondary structure. new_angle = old_angle +/- ( angle_max/2 )

Example: bbmover.angle_max(25) See also: ShearMover SmallMover

Referenced by SmallBBSampler().

void protocols::simple_moves::bb_sampler::SmallBBSampler::set_angle_max	(	char const	type,
		core::Angle const	angle
	)

Sets the max angle of perturbation for residues with <type> secondary structure. (<type> must be 'H', 'E', or 'L'.) new_angle = old_angle +/- ( angle_max/2 )

Example: bbmover.angle_max('H', 25)

See also: ShearMover SmallMover

void protocols::simple_moves::bb_sampler::SmallBBSampler::set_angle_max

(

std::map< char, core::Angle >

angle_max_in

)

Sets the max angle of perturbation, for secondary structures 'H', 'E', and 'L'. new_angle = old_angle +/- ( angle_max/2 )

void protocols::simple_moves::bb_sampler::SmallBBSampler::set_torsion_to_pose ( core::pose::Pose &  pose, core::Size  resnum  ) const

overridevirtual

Set torsions to pose.

Implements protocols::simple_moves::bb_sampler::BBDihedralSampler.

References core::pose::get_bb_torsion(), get_torsion(), core::pose::set_bb_torsion(), protocols::simple_moves::bb_sampler::BBDihedralSamplerBase::torsion_type_, and protocols::simple_moves::TR().

Referenced by protocols::carbohydrates::GlycanSampler::randomize_glycan_torsions().

Member Data Documentation

std::map< char, core::Angle > protocols::simple_moves::bb_sampler::SmallBBSampler::angle_max_

private

max allowed angle-change as a function of ss type

Referenced by get_angle_max().

---

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

• src/protocols/simple_moves/bb_sampler/SmallBBSampler.hh
• src/protocols/simple_moves/bb_sampler/SmallBBSampler.cc