protocols::frag_picker::scores::RDCScore Class Reference

scores a fragment by its crmsd to the given reference structure More...

#include <RDCScore.hh>

Inheritance diagram for protocols::frag_picker::scores::RDCScore:

Public Member Functions
	RDCScore (core::Size, core::Real, bool)
	creates a RDC-based scoring function. More...
void	do_caching (VallChunkOP) override
void	clean_up () override
bool	cached_score (FragmentCandidateOP, FragmentScoreMapOP) override
bool	score (FragmentCandidateOP, FragmentScoreMapOP) override
Public Member Functions inherited from protocols::frag_picker::scores::CachingScoringMethod
	CachingScoringMethod (core::Size priority, core::Real lowest_acceptable_value, bool use_lowest, std::string name)
Public Member Functions inherited from protocols::frag_picker::scores::FragmentScoringMethod
	FragmentScoringMethod (core::Size priority, core::Real lowest_acceptable_value, bool use_lowest, std::string name)
std::string &	get_score_name ()
	Returns a name of this scoring method. More...
core::Size	get_id ()
	Returns an integer index assigned to this scoring method by a scoring manager. More...
void	set_id (core::Size id)
	Sets a new integer index for this scoring method. More...
core::Size	get_priority ()
	Returns a priority of this scoring method. More...
core::Real	get_min_allowed_score ()
	Returns the lowest acceptable score value for this scoring method. More...
bool	get_use_lowest ()
	Returns the boolean choice on using the above lowest acceptable score value. More...
void	set_min_allowed_score (core::Real lowest_acceptable_value)
	Sets a new value of the lowest acceptable score. More...

Private Attributes
core::scoring::ResidualDipolarCouplingOP	rdc_file_
core::scoring::ResidualDipolarCoupling::RDC_lines	rdc_raw_data_

Additional Inherited Members
Protected Attributes inherited from protocols::frag_picker::scores::FragmentScoringMethod
core::Size	id_
core::Size	priority_
std::string	name_
core::Real	lowest_acceptable_value_
bool	use_lowest_

Detailed Description

scores a fragment by its crmsd to the given reference structure

Constructor & Destructor Documentation

RDCScore()

protocols::frag_picker::scores::RDCScore::RDCScore	(	core::Size	priority,
		core::Real	lowest_acceptable_value,
		bool	use_lowest
	)

creates a RDC-based scoring function.

References rdc_file_, and rdc_raw_data_.

Member Function Documentation

cached_score()

bool protocols::frag_picker::scores::RDCScore::cached_score ( FragmentCandidateOP  fragment, FragmentScoreMapOP  empty_map  )

overridevirtual

Reimplemented from protocols::frag_picker::scores::CachingScoringMethod.

References score().

clean_up()

void protocols::frag_picker::scores::RDCScore::clean_up ( )

overridevirtual

Implements protocols::frag_picker::scores::CachingScoringMethod.

do_caching()

void protocols::frag_picker::scores::RDCScore::do_caching ( VallChunkOP  current_chunk )

overridevirtual

Implements protocols::frag_picker::scores::CachingScoringMethod.

score()

bool protocols::frag_picker::scores::RDCScore::score ( FragmentCandidateOP  fragment, FragmentScoreMapOP  empty_map  )

overridevirtual

Reimplemented from protocols::frag_picker::scores::CachingScoringMethod.

References protocols::frag_picker::scores::FragmentScoringMethod::id_, protocols::frag_picker::scores::FragmentScoringMethod::lowest_acceptable_value_, core::pose::make_pose_from_sequence(), rdc_raw_data_, core::pose::Pose::set_omega(), core::pose::Pose::set_phi(), core::pose::Pose::set_psi(), core::scoring::store_RDC_in_pose(), and protocols::frag_picker::scores::FragmentScoringMethod::use_lowest_.

Referenced by cached_score().

Member Data Documentation

rdc_file_

core::scoring::ResidualDipolarCouplingOP protocols::frag_picker::scores::RDCScore::rdc_file_

private

Referenced by RDCScore().

rdc_raw_data_

core::scoring::ResidualDipolarCoupling::RDC_lines protocols::frag_picker::scores::RDCScore::rdc_raw_data_

private

Referenced by RDCScore(), and score().

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

• src/protocols/frag_picker/scores/RDCScore.hh
• src/protocols/frag_picker/scores/RDCScore.cc