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protocols::pose_metric_calculators::FragQualCalculator Class Reference

#include <FragQualCalculator.hh>

Inheritance diagram for protocols::pose_metric_calculators::FragQualCalculator:
Inheritance graph
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Public Types

typedef
core::pose::metrics::StructureDependentCalculator 
Super
 
typedef std::string String
 
typedef core::Size Size
 
typedef core::Real Real
 
typedef core::pose::Pose Pose
 
typedef
core::pose::metrics::PoseMetricCalculatorOP 
PoseMetricCalculatorOP
 
typedef basic::MetricValueBase MetricValueBase
 
typedef core::fragment::FragSet FragSet
 
typedef core::fragment::FragSetOP FragSetOP
 
typedef utility::tag::TagCOP TagCOP
 
typedef basic::datacache::DataMap DataMap
 

Public Member Functions

 FragQualCalculator ()
 default constructor More...
 
 FragQualCalculator (FragSetOP frag, Real const rmsd=1.0, Real const ratio=30.0)
 default constructor More...
 
 FragQualCalculator (FragQualCalculator const &rval)
 copy constructor More...
 
 ~FragQualCalculator () override
 destructor More...
 
PoseMetricCalculatorOP clone () const override
 make clone More...
 
void set_fragset (FragSetOP const &frags)
 set fragments More...
 
void rmsd_cutoff (Real const &val)
 rmsd cutoff of good fragments More...
 
void ratio_cutoff (Real const &val)
 
void set_region (core::Size const val1, core::Size const val2)
 
void begin (core::Size const begin)
 
void end (core::Size const end)
 
void parse_my_tag (TagCOP tag, basic::datacache::DataMap &data)
 parse xml More...
 
- Public Member Functions inherited from core::pose::metrics::StructureDependentCalculator
 StructureDependentCalculator ()
 
void notify_structure_change () override
 
void get (std::string const &key, basic::MetricValueBase &val, Pose const &this_pose) override
 
std::string get (std::string const &key, Pose const &this_pose) override
 
- Public Member Functions inherited from core::pose::metrics::PoseMetricCalculator
 PoseMetricCalculator ()
 
virtual void notify_energy_change ()
 

Protected Member Functions

void lookup (String const &key, MetricValueBase *valptr) const override
 
std::string print (String const &key) const override
 
void recompute (Pose const &this_pose) override
 recomute ncontacts More...
 

Private Attributes

Real rmsd_cutoff_goodfrag_
 
Real ratio_cutoff_goodfrag_
 
Real total_goodfrags_
 
Real coverage_
 
utility::vector1< core::Sizegoodfrags_
 
FragSetOP frag_
 
core::pose::ResidueIndexDescriptionCOP begin_
 
core::pose::ResidueIndexDescriptionCOP end_
 
bool verbose_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::pose_metric_calculators::FragQualCalculator::FragQualCalculator ( )

default constructor

References goodfrags_.

protocols::pose_metric_calculators::FragQualCalculator::FragQualCalculator ( FragSetOP  frag,
Real const  rmsd = 1.0,
Real const  ratio = 30.0 
)

default constructor

value constructor

References goodfrags_.

protocols::pose_metric_calculators::FragQualCalculator::FragQualCalculator ( FragQualCalculator const &  rval)
default

copy constructor

protocols::pose_metric_calculators::FragQualCalculator::~FragQualCalculator ( )
overridedefault

destructor

Member Function Documentation

void protocols::pose_metric_calculators::FragQualCalculator::begin ( core::Size const  begin)

References begin_, and core::pose::make_rid_posenum().

Referenced by recompute().

PoseMetricCalculatorOP protocols::pose_metric_calculators::FragQualCalculator::clone ( ) const
inlineoverridevirtual
void protocols::pose_metric_calculators::FragQualCalculator::end ( core::Size const  end)

References end_, and core::pose::make_rid_posenum().

Referenced by recompute().

void protocols::pose_metric_calculators::FragQualCalculator::lookup ( String const &  key,
MetricValueBase valptr 
) const
overrideprotectedvirtual
void protocols::pose_metric_calculators::FragQualCalculator::parse_my_tag ( TagCOP  tag,
basic::datacache::DataMap &  data 
)
std::string protocols::pose_metric_calculators::FragQualCalculator::print ( String const &  key) const
overrideprotectedvirtual
void protocols::pose_metric_calculators::FragQualCalculator::ratio_cutoff ( Real const &  val)
void protocols::pose_metric_calculators::FragQualCalculator::recompute ( Pose const &  this_pose)
overrideprotectedvirtual
void protocols::pose_metric_calculators::FragQualCalculator::rmsd_cutoff ( Real const &  val)

rmsd cutoff of good fragments

References rmsd_cutoff_goodfrag_, and protocols::hybridization::val.

void protocols::pose_metric_calculators::FragQualCalculator::set_fragset ( FragSetOP const &  frags)

set fragments

References frag_.

void protocols::pose_metric_calculators::FragQualCalculator::set_region ( core::Size const  val1,
core::Size const  val2 
)

Member Data Documentation

core::pose::ResidueIndexDescriptionCOP protocols::pose_metric_calculators::FragQualCalculator::begin_
private
Real protocols::pose_metric_calculators::FragQualCalculator::coverage_
private

Referenced by lookup(), print(), and recompute().

core::pose::ResidueIndexDescriptionCOP protocols::pose_metric_calculators::FragQualCalculator::end_
private
FragSetOP protocols::pose_metric_calculators::FragQualCalculator::frag_
private
utility::vector1< core::Size > protocols::pose_metric_calculators::FragQualCalculator::goodfrags_
private

Referenced by FragQualCalculator(), and recompute().

Real protocols::pose_metric_calculators::FragQualCalculator::ratio_cutoff_goodfrag_
private
Real protocols::pose_metric_calculators::FragQualCalculator::rmsd_cutoff_goodfrag_
private
Real protocols::pose_metric_calculators::FragQualCalculator::total_goodfrags_
private

Referenced by lookup(), print(), and recompute().

bool protocols::pose_metric_calculators::FragQualCalculator::verbose_
private

Referenced by parse_my_tag(), and recompute().


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