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Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::residue_optimization::MetapatchEnumeration Class Reference

#include <MetapatchEnumeration.hh>

Public Member Functions

 MetapatchEnumeration (core::pose::Pose pose, core::kinematics::MoveMapOP mm, core::scoring::ScoreFunctionOP score_fxn, core::Size mode, bool pack, core::Real threshold, utility::vector1< std::string > metapatch_names, core::Real taboo=5)
 
utility::vector1< core::Realfinal_scores ()
 
utility::vector1< std::string > summary_lines ()
 
void generate_metapatched_variants (core::Size resi)
 
core::Real score ()
 

Private Member Functions

void generate_derived_types (core::Size resi, core::Size tp, utility::vector1< std::string > &types_considered)
 
core::Real binding (core::pose::Pose pose)
 
void initial_sampling (core::pose::Pose &pose)
 
void final_sampling (core::pose::Pose &mut_pose, core::Size resi)
 
bool tabooed (utility::vector1< std::string > const &patch_names)
 OPPORTUNITIES FOR IMPROVEMENT. More...
 

Private Attributes

utility::vector1< core::Realfinal_scores_
 
utility::vector1< std::string > summary_lines_
 
core::pose::Pose pose_
 
core::kinematics::MoveMapOP mm_
 
core::scoring::ScoreFunctionOP sampling_score_fxn_
 
core::scoring::ScoreFunctionOP evaluation_score_fxn_
 
core::Size mode_
 
bool pack_
 
core::Real threshold_
 
utility::vector1< std::string > metapatch_names_
 
core::Real score_
 
core::Real taboo_
 
utility::vector1
< utility::vector1
< std::string > > 
tabooed_
 

Constructor & Destructor Documentation

protocols::residue_optimization::MetapatchEnumeration::MetapatchEnumeration ( core::pose::Pose  pose,
core::kinematics::MoveMapOP  mm,
core::scoring::ScoreFunctionOP  score_fxn,
core::Size  mode,
bool  pack,
core::Real  threshold,
utility::vector1< std::string >  metapatch_names,
core::Real  taboo = 5 
)
inline

Member Function Documentation

Real protocols::residue_optimization::MetapatchEnumeration::binding ( core::pose::Pose  pose)
private
void protocols::residue_optimization::MetapatchEnumeration::final_sampling ( core::pose::Pose mut_pose,
core::Size  resi 
)
private
utility::vector1< core::Real > protocols::residue_optimization::MetapatchEnumeration::final_scores ( )
inline

References final_scores_.

void protocols::residue_optimization::MetapatchEnumeration::generate_derived_types ( core::Size  resi,
core::Size  tp,
utility::vector1< std::string > &  types_considered 
)
private
void protocols::residue_optimization::MetapatchEnumeration::generate_metapatched_variants ( core::Size  resi)
void protocols::residue_optimization::MetapatchEnumeration::initial_sampling ( core::pose::Pose pose)
private
core::Real protocols::residue_optimization::MetapatchEnumeration::score ( )
inline

References score_.

utility::vector1< std::string > protocols::residue_optimization::MetapatchEnumeration::summary_lines ( )
inline

References summary_lines_.

bool protocols::residue_optimization::MetapatchEnumeration::tabooed ( utility::vector1< std::string > const &  patch_names)
private

OPPORTUNITIES FOR IMPROVEMENT.

References core::conformation::TR().

Member Data Documentation

core::scoring::ScoreFunctionOP protocols::residue_optimization::MetapatchEnumeration::evaluation_score_fxn_
private
utility::vector1< core::Real > protocols::residue_optimization::MetapatchEnumeration::final_scores_
private

Referenced by final_scores().

utility::vector1< std::string > protocols::residue_optimization::MetapatchEnumeration::metapatch_names_
private
core::kinematics::MoveMapOP protocols::residue_optimization::MetapatchEnumeration::mm_
private
core::Size protocols::residue_optimization::MetapatchEnumeration::mode_
private
bool protocols::residue_optimization::MetapatchEnumeration::pack_
private
core::pose::Pose protocols::residue_optimization::MetapatchEnumeration::pose_
private
core::scoring::ScoreFunctionOP protocols::residue_optimization::MetapatchEnumeration::sampling_score_fxn_
private
core::Real protocols::residue_optimization::MetapatchEnumeration::score_
private

Referenced by score().

utility::vector1< std::string > protocols::residue_optimization::MetapatchEnumeration::summary_lines_
private

Referenced by summary_lines().

core::Real protocols::residue_optimization::MetapatchEnumeration::taboo_
private
utility::vector1< utility::vector1< std::string > > protocols::residue_optimization::MetapatchEnumeration::tabooed_
private
core::Real protocols::residue_optimization::MetapatchEnumeration::threshold_
private

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