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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:
Inheritance graph
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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::Angleangle_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)
protocols::simple_moves::bb_sampler::SmallBBSampler::SmallBBSampler ( core::id::MainchainTorsionType  torsion_type,
core::Real  all_ss_angle_max 
)
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
core::Real protocols::simple_moves::bb_sampler::SmallBBSampler::get_torsion ( core::pose::Pose const &  pose,
core::Size  resnum 
) const
overridevirtual
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

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: