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protocols::frag_picker::scores::AmbigCSScore Class Reference

scores a fragment by the root mean square deviation of Phi and Psi angles. More...

#include <AmbigCSScore.hh>

Inheritance diagram for protocols::frag_picker::scores::AmbigCSScore:
Inheritance graph
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Public Member Functions

 AmbigCSScore (core::Size, core::Real, bool, CSTalosIO &, CSTalosIO &)
 creates a Phi-Psi-based scoring function. More...
 
void do_caching (VallChunkOP) override
 
void clean_up () override
 
bool score (FragmentCandidateOP, FragmentScoreMapOP) override
 
bool cached_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)
 
bool score (FragmentCandidateOP, FragmentScoreMapOP) override
 
- 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 Member Functions

void read_talos_phi_psi (std::string const &)
 

Private Attributes

utility::io::ozstream outfile_
 Print debugging informations about a score for a given fragment. More...
 
utility::vector1
< utility::vector1< std::pair
< core::Size, core::Real > > > 
target_Ashifts_
 
utility::vector1
< utility::vector1< std::pair
< core::Size, core::Real > > > 
target_Bshifts_
 
utility::vector1
< utility::vector1< std::pair
< core::Real, core::Real > > > 
scores_
 
std::string cached_scores_id_
 
utility::vector1< boolexisting_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 the root mean square deviation of Phi and Psi angles.

Constructor & Destructor Documentation

protocols::frag_picker::scores::AmbigCSScore::AmbigCSScore ( core::Size  priority,
core::Real  lowest_acceptable_value,
bool  use_lowest,
CSTalosIO readerA,
CSTalosIO readerB 
)

creates a Phi-Psi-based scoring function.

Phi-Psi angles from a fragment will be compared to relevant angles in a given pose, which should have the same number of residues a the query sequence

References protocols::frag_picker::CS2ndShift::shifts(), target_Ashifts_, target_Bshifts_, and protocols::frag_picker::scores::trAmbigCSScore().

Member Function Documentation

bool protocols::frag_picker::scores::AmbigCSScore::cached_score ( FragmentCandidateOP  fragment,
FragmentScoreMapOP  scores 
)
overridevirtual
void protocols::frag_picker::scores::AmbigCSScore::clean_up ( )
overridevirtual
void protocols::frag_picker::scores::AmbigCSScore::do_caching ( VallChunkOP  current_chunk)
overridevirtual
void protocols::frag_picker::scores::AmbigCSScore::read_talos_phi_psi ( std::string const &  )
private
bool protocols::frag_picker::scores::AmbigCSScore::score ( FragmentCandidateOP  fragment,
FragmentScoreMapOP  scores 
)
overridevirtual

Member Data Documentation

std::string protocols::frag_picker::scores::AmbigCSScore::cached_scores_id_
private

Referenced by cached_score(), and do_caching().

utility::vector1<bool> protocols::frag_picker::scores::AmbigCSScore::existing_data_
private
utility::io::ozstream protocols::frag_picker::scores::AmbigCSScore::outfile_
private

Print debugging informations about a score for a given fragment.

utility::vector1< utility::vector1< std::pair< core::Real, core::Real> > > protocols::frag_picker::scores::AmbigCSScore::scores_
private

Referenced by cached_score(), and do_caching().

utility::vector1< utility::vector1< std::pair< core::Size, core::Real > > > protocols::frag_picker::scores::AmbigCSScore::target_Ashifts_
private

Referenced by AmbigCSScore(), and do_caching().

utility::vector1< utility::vector1< std::pair< core::Size, core::Real > > > protocols::frag_picker::scores::AmbigCSScore::target_Bshifts_
private

Referenced by AmbigCSScore(), and do_caching().


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