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:

[legend]

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

◆ SmallBBSampler() [1/5]

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

References set_angle_max().

◆ SmallBBSampler() [2/5]

protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler ( core::Real all_ss_angle_max )

References set_angle_max().

◆ SmallBBSampler() [3/5]

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_.

◆ SmallBBSampler() [4/5]

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_.

◆ SmallBBSampler() [5/5]

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

default

◆ ~SmallBBSampler()

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

overridedefault

Member Function Documentation

◆ clone()

SmallBBSamplerOP protocols::simple_moves::bb_sampler::SmallBBSampler::clone ( ) const

◆ get_angle_max()

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')

◆ get_name()

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

inlineoverridevirtual

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

◆ get_torsion()

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().

◆ set_angle_max() [1/3]

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)

◆ set_angle_max() [2/3]

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

References set_angle_max().

Referenced by set_angle_max(), and SmallBBSampler().

◆ set_angle_max() [3/3]

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 )

References angle_max_.

◆ set_torsion_to_pose()

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

◆ angle_max_

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(), and set_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

Public Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ SmallBBSampler() [1/5]

◆ SmallBBSampler() [2/5]

◆ SmallBBSampler() [3/5]

◆ SmallBBSampler() [4/5]

◆ SmallBBSampler() [5/5]

◆ ~SmallBBSampler()

Member Function Documentation

◆ clone()

◆ get_angle_max()

◆ get_name()

◆ get_torsion()

◆ set_angle_max() [1/3]

◆ set_angle_max() [2/3]

◆ set_angle_max() [3/3]

◆ set_torsion_to_pose()

Member Data Documentation

◆ angle_max_