protocols::match::upstream::SampleStrategyData Class Reference

This class holds all of the data associated with the logic for generating extra samples for a particular chi angle. There are tons of ways concievable to build extra rotamers; the data in this class is intended to group all of that data into one place. This class is not responsible for building extra rotamer samples; that responsibility is given to class FullChiSampleSet. More...

#include <ProteinUpstreamBuilder.hh>

Public Types
typedef core::Real	Real
typedef core::Size	Size
typedef core::pack::task::ExtraRotSample	ExtraRotSample

Public Member Functions
	SampleStrategyData ()
	~SampleStrategyData ()
void	set_strategy (ChiStrategy)
void	set_sample_level (ExtraRotSample setting)
void	set_step_size (Real setting)
void	set_sd_range (Real setting)
void	set_n_samples_wi_sd_range (Size setting)
void	set_nrchi_prob_minimum_for_extra_samples (Real setting)
void	set_n_samples_per_side_of_nrchi_bin (Size setting)
ChiStrategy	strategy () const
ExtraRotSample	sample_level () const
Real	step_size () const
Real	sd_range () const
Size	n_samples_wi_sd_range () const
Real	nrchi_prob_minimum_for_extra_samples () const
Size	n_samples_per_side_of_nrchi_bin () const

Private Attributes
ChiStrategy	strategy_
ExtraRotSample	sample_level_
Real	step_size_
Real	sd_range_
Size	n_samples_wi_sd_range_
Real	nrchi_prob_minimum_for_extra_samples_
Size	n_samples_per_side_of_nrchi_bin_

Detailed Description

This class holds all of the data associated with the logic for generating extra samples for a particular chi angle. There are tons of ways concievable to build extra rotamers; the data in this class is intended to group all of that data into one place. This class is not responsible for building extra rotamer samples; that responsibility is given to class FullChiSampleSet.

Member Typedef Documentation

typedef core::pack::task::ExtraRotSample protocols::match::upstream::SampleStrategyData::ExtraRotSample

typedef core::Real protocols::match::upstream::SampleStrategyData::Real

typedef core::Size protocols::match::upstream::SampleStrategyData::Size

Constructor & Destructor Documentation

protocols::match::upstream::SampleStrategyData::SampleStrategyData

(

)

References NO_EXTRA_CHI_SAMPLES.

protocols::match::upstream::SampleStrategyData::~SampleStrategyData

(

)

Member Function Documentation

SampleStrategyData::Size protocols::match::upstream::SampleStrategyData::n_samples_per_side_of_nrchi_bin

(

)

const

References n_samples_per_side_of_nrchi_bin_, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin_to_lower_boundary, and strategy_.

Referenced by protocols::match::upstream::FullChiSampleSet::expand_samples_for_nrchi_wi_nrchi_bin().

SampleStrategyData::Size protocols::match::upstream::SampleStrategyData::n_samples_wi_sd_range

(

)

const

References n_samples_wi_sd_range_, protocols::match::upstream::rotameric_chi_partition_sd_range, and strategy_.

SampleStrategyData::Real protocols::match::upstream::SampleStrategyData::nrchi_prob_minimum_for_extra_samples

(

)

const

References protocols::match::upstream::follow_EX_flags, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin_to_lower_boundary, nrchi_prob_minimum_for_extra_samples_, and strategy_.

Referenced by protocols::match::upstream::FullChiSampleSet::expand_samples_for_nrchi_wi_nrchi_bin().

SampleStrategyData::ExtraRotSample protocols::match::upstream::SampleStrategyData::sample_level

(

)

const

References protocols::match::upstream::rotameric_chi_mimic_EX_flags, sample_level_, and strategy_.

Referenced by protocols::match::upstream::FullChiSampleSet::FullChiSampleSet().

SampleStrategyData::Real protocols::match::upstream::SampleStrategyData::sd_range

(

)

const

References protocols::match::upstream::rotameric_chi_partition_sd_range, protocols::match::upstream::rotameric_chi_step_wi_sd_range, sd_range_, and strategy_.

Referenced by protocols::match::upstream::FullChiSampleSet::expand_samples_by_steps_wi_sdrange().

void protocols::match::upstream::SampleStrategyData::set_n_samples_per_side_of_nrchi_bin

(

Size

setting

)

References n_samples_per_side_of_nrchi_bin_, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin_to_lower_boundary, and strategy_.

void protocols::match::upstream::SampleStrategyData::set_n_samples_wi_sd_range

(

Size

setting

)

References n_samples_wi_sd_range_, protocols::match::upstream::rotameric_chi_partition_sd_range, and strategy_.

void protocols::match::upstream::SampleStrategyData::set_nrchi_prob_minimum_for_extra_samples

(

Real

setting

)

References protocols::match::upstream::follow_EX_flags, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin, protocols::match::upstream::nonrotameric_chi_sample_wi_nrchi_bin_to_lower_boundary, nrchi_prob_minimum_for_extra_samples_, and strategy_.

void protocols::match::upstream::SampleStrategyData::set_sample_level

(

ExtraRotSample

setting

)

References protocols::match::upstream::rotameric_chi_mimic_EX_flags, sample_level_, and strategy_.

Referenced by protocols::match::Matcher::initialize_from_file().

void protocols::match::upstream::SampleStrategyData::set_sd_range

(

Real

setting

)

References protocols::match::upstream::rotameric_chi_partition_sd_range, protocols::match::upstream::rotameric_chi_step_wi_sd_range, sd_range_, and strategy_.

Referenced by protocols::match::Matcher::initialize_from_file().

void protocols::match::upstream::SampleStrategyData::set_step_size

(

Real

setting

)

References protocols::match::upstream::rotameric_chi_step_by_value, protocols::match::upstream::rotameric_chi_step_wi_sd_range, step_size_, and strategy_.

Referenced by protocols::match::Matcher::initialize_from_file().

void protocols::match::upstream::SampleStrategyData::set_strategy

(

ChiStrategy

setting

)

References strategy_.

Referenced by protocols::match::Matcher::initialize_from_file().

SampleStrategyData::Real protocols::match::upstream::SampleStrategyData::step_size

(

)

const

References protocols::match::upstream::rotameric_chi_step_by_value, protocols::match::upstream::rotameric_chi_step_wi_sd_range, step_size_, and strategy_.

Referenced by protocols::match::upstream::FullChiSampleSet::expand_samples_by_steps_wi_sdrange().

ChiStrategy protocols::match::upstream::SampleStrategyData::strategy

(

)

const

References strategy_.

Referenced by protocols::match::upstream::FullChiSampleSet::expand_non_dunbrack_chi(), protocols::match::upstream::FullChiSampleSet::expand_samples_by_steps_wi_sdrange(), and protocols::match::upstream::FullChiSampleSet::FullChiSampleSet().

Member Data Documentation

Size protocols::match::upstream::SampleStrategyData::n_samples_per_side_of_nrchi_bin_

private

Referenced by n_samples_per_side_of_nrchi_bin(), and set_n_samples_per_side_of_nrchi_bin().

Size protocols::match::upstream::SampleStrategyData::n_samples_wi_sd_range_

private

Referenced by n_samples_wi_sd_range(), and set_n_samples_wi_sd_range().

Real protocols::match::upstream::SampleStrategyData::nrchi_prob_minimum_for_extra_samples_

private

Referenced by nrchi_prob_minimum_for_extra_samples(), and set_nrchi_prob_minimum_for_extra_samples().

ExtraRotSample protocols::match::upstream::SampleStrategyData::sample_level_

private

Referenced by sample_level(), and set_sample_level().

Real protocols::match::upstream::SampleStrategyData::sd_range_

private

Referenced by sd_range(), and set_sd_range().

Real protocols::match::upstream::SampleStrategyData::step_size_

private

Referenced by set_step_size(), and step_size().

ChiStrategy protocols::match::upstream::SampleStrategyData::strategy_

private

Referenced by n_samples_per_side_of_nrchi_bin(), n_samples_wi_sd_range(), nrchi_prob_minimum_for_extra_samples(), sample_level(), sd_range(), set_n_samples_per_side_of_nrchi_bin(), set_n_samples_wi_sd_range(), set_nrchi_prob_minimum_for_extra_samples(), set_sample_level(), set_sd_range(), set_step_size(), set_strategy(), step_size(), and strategy().

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

• src/protocols/match/upstream/ProteinUpstreamBuilder.hh
• src/protocols/match/upstream/ProteinUpstreamBuilder.cc