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protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection Class Reference

#include <StepWiseRNA_PoseSelection.hh>

Inheritance diagram for protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection:
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Public Member Functions

 StepWiseRNA_PoseSelection (protocols::stepwise::modeler::working_parameters::StepWiseWorkingParametersCOP &working_parameters, core::scoring::ScoreFunctionCOP scorefxn, protocols::stepwise::modeler::rna::StepWiseRNA_CountStruct &count_data=local_count_data)
 
 ~StepWiseRNA_PoseSelection () override
 
void initialize_modeler_scorefxn (core::scoring::ScoreFunctionCOP &scorefxn)
 
core::Real pose_selection_by_full_score (core::pose::Pose &current_pose, std::string const &tag)
 
void cluster_pose_list ()
 
void set_num_pose_kept (core::Size const &num_pose_kept)
 
void set_cluster_rmsd (core::Real const &setting)
 
void set_distinguish_pucker (bool const &setting)
 
void set_PBP_clustering_at_chain_closure (bool const &setting)
 
void update_pose_list (std::string const &tag, core::pose::Pose const &current_pose, core::Real const &current_score)
 
utility::vector1
< core::pose::PoseOP
pose_list ()
 
void set_pose_list (utility::vector1< core::pose::PoseOP > &pose_list)
 
void finalize (bool const do_clustering=true)
 
void set_count_data (protocols::stepwise::modeler::rna::StepWiseRNA_CountStruct &setting)
 

Private Attributes

protocols::stepwise::modeler::working_parameters::StepWiseWorkingParametersCOP working_parameters_
 
core::scoring::ScoreFunctionOP modeler_scorefxn_
 
core::Size num_pose_kept_
 
core::Size const multiplier_
 
core::Real cluster_rmsd_
 
bool PBP_clustering_at_chain_closure_
 
bool distinguish_pucker_
 
core::Real current_score_cutoff_
 
bool verbose_
 
protocols::stepwise::modeler::rna::StepWiseRNA_CountStructcount_data_
 
utility::vector1
< core::pose::PoseOP
pose_list_
 

Constructor & Destructor Documentation

protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::StepWiseRNA_PoseSelection ( protocols::stepwise::modeler::working_parameters::StepWiseWorkingParametersCOP working_parameters,
core::scoring::ScoreFunctionCOP  scorefxn,
protocols::stepwise::modeler::rna::StepWiseRNA_CountStruct count_data = local_count_data 
)
protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::~StepWiseRNA_PoseSelection ( )
overridedefault

Member Function Documentation

void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::cluster_pose_list ( )
void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::finalize ( bool const  do_clustering = true)
void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::initialize_modeler_scorefxn ( core::scoring::ScoreFunctionCOP scorefxn)
utility::vector1< pose::PoseOP > protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::pose_list ( )

References pose_list_.

Referenced by set_pose_list().

Real protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::pose_selection_by_full_score ( core::pose::Pose current_pose,
std::string const &  tag 
)
void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::set_cluster_rmsd ( core::Real const &  setting)

References cluster_rmsd_, and protocols::TR().

void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::set_count_data ( protocols::stepwise::modeler::rna::StepWiseRNA_CountStruct setting)
inline

References count_data_.

void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::set_distinguish_pucker ( bool const &  setting)
inline

References distinguish_pucker_.

void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::set_num_pose_kept ( core::Size const &  num_pose_kept)

References num_pose_kept_.

void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::set_PBP_clustering_at_chain_closure ( bool const &  setting)
inline
void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::set_pose_list ( utility::vector1< core::pose::PoseOP > &  pose_list)

References pose_list(), and pose_list_.

void protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::update_pose_list ( std::string const &  tag,
core::pose::Pose const &  current_pose,
core::Real const &  current_score 
)

Member Data Documentation

core::Real protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::cluster_rmsd_
private
protocols::stepwise::modeler::rna::StepWiseRNA_CountStruct& protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::count_data_
private
core::Real protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::current_score_cutoff_
private
bool protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::distinguish_pucker_
private
core::scoring::ScoreFunctionOP protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::modeler_scorefxn_
private
core::Size const protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::multiplier_
private
core::Size protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::num_pose_kept_
private
bool protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::PBP_clustering_at_chain_closure_
private
utility::vector1< core::pose::PoseOP > protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::pose_list_
private
bool protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::verbose_
private
protocols::stepwise::modeler::working_parameters::StepWiseWorkingParametersCOP protocols::stepwise::legacy::modeler::rna::StepWiseRNA_PoseSelection::working_parameters_
private

Referenced by cluster_pose_list().


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