Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Attributes | List of all members
protocols::frag_picker::scores::GunnCostScore Class Reference

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

#include <GunnCostScore.hh>

Inheritance diagram for protocols::frag_picker::scores::GunnCostScore:
Inheritance graph
[legend]

Public Member Functions

 GunnCostScore (core::Size, core::Real, bool, core::pose::PoseOP, utility::vector1< core::Size >, core::Size)
 creates a crmsd-based scoring function. More...
 
 ~GunnCostScore () override
 
void do_caching (VallChunkOP) override
 
void clean_up () override
 
bool score (FragmentCandidateOP, FragmentScoreMapOP) override
 
bool cached_score (FragmentCandidateOP, FragmentScoreMapOP) override
 
void computeGunnTuples (core::pose::Pose &, core::Size, utility::vector1< GunnTuple > &)
 
- 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::Size n_atoms_
 
core::pose::PoseOP reference_pose_
 
utility::vector1< core::Sizefrag_sizes_
 
core::Size max_chunk_size_
 
utility::vector1
< utility::vector1< GunnTuple > > 
ref_gunn_data_
 
utility::vector1
< utility::vector1< GunnTuple > > 
chunk_gunn_data_
 
GunnCost gunn_cost_
 

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

protocols::frag_picker::scores::GunnCostScore::GunnCostScore ( core::Size  priority,
core::Real  lowest_acceptable_value,
bool  use_lowest,
core::pose::PoseOP  reference_pose,
utility::vector1< core::Size frag_sizes,
core::Size  max_chunk_size 
)

creates a crmsd-based scoring function.

fragments will be compared to a given pose, which should have the same number of residues a the query sequence

References chunk_gunn_data_, computeGunnTuples(), frag_sizes_, max_chunk_size_, n_atoms_, ref_gunn_data_, reference_pose_, and protocols::frag_picker::scores::trGunnScore().

protocols::frag_picker::scores::GunnCostScore::~GunnCostScore ( )
overridedefault

Member Function Documentation

bool protocols::frag_picker::scores::GunnCostScore::cached_score ( FragmentCandidateOP  fragment,
FragmentScoreMapOP  scores 
)
overridevirtual
void protocols::frag_picker::scores::GunnCostScore::clean_up ( )
overridevirtual
void protocols::frag_picker::scores::GunnCostScore::computeGunnTuples ( core::pose::Pose pose,
core::Size  frag_size,
utility::vector1< GunnTuple > &  result 
)
void protocols::frag_picker::scores::GunnCostScore::do_caching ( VallChunkOP  current_chunk)
overridevirtual
bool protocols::frag_picker::scores::GunnCostScore::score ( FragmentCandidateOP  f,
FragmentScoreMapOP  empty_map 
)
overridevirtual

Member Data Documentation

utility::vector1<utility::vector1<GunnTuple> > protocols::frag_picker::scores::GunnCostScore::chunk_gunn_data_
private
utility::vector1<core::Size> protocols::frag_picker::scores::GunnCostScore::frag_sizes_
private
GunnCost protocols::frag_picker::scores::GunnCostScore::gunn_cost_
private
core::Size protocols::frag_picker::scores::GunnCostScore::max_chunk_size_
private

Referenced by GunnCostScore().

core::Size protocols::frag_picker::scores::GunnCostScore::n_atoms_
private

Referenced by GunnCostScore().

utility::vector1<utility::vector1<GunnTuple> > protocols::frag_picker::scores::GunnCostScore::ref_gunn_data_
private

Referenced by cached_score(), and GunnCostScore().

core::pose::PoseOP protocols::frag_picker::scores::GunnCostScore::reference_pose_
private

Referenced by GunnCostScore(), and score().


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