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protocols::toolbox::pose_metric_calculators::FragQualCalculator Class Reference

#include <FragQualCalculator.hh>

Inheritance diagram for protocols::toolbox::pose_metric_calculators::FragQualCalculator:
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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::TagPtr TagPtr
 
typedef
protocols::filters::Filters_map 
Filters_map
 
typedef protocols::moves::DataMap DataMap
 
typedef
protocols::moves::Movers_map 
Movers_map
 

Public Member Functions

 FragQualCalculator ()
 default constructor More...
 
 FragQualCalculator (FragSetOP const &frag, Real const rmsd=1.0, Real const ratio=30.0)
 default constructor More...
 
 FragQualCalculator (FragQualCalculator const &rval)
 copy constructor More...
 
virtual ~FragQualCalculator ()
 destructor More...
 
PoseMetricCalculatorOP clone () const
 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 (Size const val1, Size const val2)
 
void begin (Size const begin)
 
void end (Size const end)
 
void parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &, Movers_map const &, Pose const &pose)
 parse xml More...
 
- Public Member Functions inherited from core::pose::metrics::StructureDependentCalculator
 StructureDependentCalculator ()
 
void notify_structure_change ()
 
void get (std::string const &key, basic::MetricValueBase &val, Pose const &this_pose)
 
std::string get (std::string const &key, Pose const &this_pose)
 
- Public Member Functions inherited from core::pose::metrics::PoseMetricCalculator
 PoseMetricCalculator ()
 
virtual void notify_energy_change ()
 

Protected Member Functions

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

Private Attributes

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

Member Typedef Documentation

Constructor & Destructor Documentation

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

default constructor

References goodfrags_.

Referenced by clone().

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

default constructor

value constructor

References goodfrags_.

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

copy constructor

protocols::toolbox::pose_metric_calculators::FragQualCalculator::~FragQualCalculator ( )
virtual

destructor

Member Function Documentation

void protocols::toolbox::pose_metric_calculators::FragQualCalculator::begin ( Size const  begin)
inline

References begin(), and begin_.

Referenced by begin().

PoseMetricCalculatorOP protocols::toolbox::pose_metric_calculators::FragQualCalculator::clone ( ) const
inlinevirtual
void protocols::toolbox::pose_metric_calculators::FragQualCalculator::end ( Size const  end)
inline

References end(), and end_.

Referenced by end().

void protocols::toolbox::pose_metric_calculators::FragQualCalculator::lookup ( String const &  key,
MetricValueBase valptr 
) const
protectedvirtual
void protocols::toolbox::pose_metric_calculators::FragQualCalculator::parse_my_tag ( TagPtr const  tag,
DataMap data,
Filters_map const &  ,
Movers_map const &  ,
Pose const &  pose 
)
std::string protocols::toolbox::pose_metric_calculators::FragQualCalculator::print ( String const &  key) const
protectedvirtual
void protocols::toolbox::pose_metric_calculators::FragQualCalculator::ratio_cutoff ( Real const &  val)
void protocols::toolbox::pose_metric_calculators::FragQualCalculator::recompute ( Pose const &  this_pose)
protectedvirtual
void protocols::toolbox::pose_metric_calculators::FragQualCalculator::rmsd_cutoff ( Real const &  val)

rmsd cutoff of good fragments

References rmsd_cutoff_goodfrag_.

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

set fragments

References frag_.

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

References begin_, and end_.

Member Data Documentation

Size protocols::toolbox::pose_metric_calculators::FragQualCalculator::begin_
private
Real protocols::toolbox::pose_metric_calculators::FragQualCalculator::coverage_
private

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

Size protocols::toolbox::pose_metric_calculators::FragQualCalculator::end_
private
FragSetOP protocols::toolbox::pose_metric_calculators::FragQualCalculator::frag_
private
utility::vector1< Size > protocols::toolbox::pose_metric_calculators::FragQualCalculator::goodfrags_
private

Referenced by FragQualCalculator(), and recompute().

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

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

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

Referenced by parse_my_tag(), and recompute().


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