Rosetta Protocols  2014.35
Public Member Functions | Protected Member Functions | Private Member Functions | Static Private Member Functions | Private Attributes | List of all members
protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator Class Reference

#include <BuriedUnsatisfiedPolarsCalculator.hh>

Public Member Functions

 BuriedUnsatisfiedPolarsCalculator (std::string sasa_calc, std::string hbond_calc, core::Real burial_cutoff=basic::options::option[basic::options::OptionKeys::pose_metrics::atomic_burial_cutoff])
 
 BuriedUnsatisfiedPolarsCalculator (std::string sasa_calc, std::string hbond_calc, std::set< core::Size > const &special_region, core::Real burial_cutoff=basic::options::option[basic::options::OptionKeys::pose_metrics::atomic_burial_cutoff])
 
core::pose::metrics::PoseMetricCalculatorOP clone () const
 
std::string const & name_of_hbond_calc () const
 
std::string const & name_of_sasa_calc () const
 
- Public Member Functions inherited from core::pose::metrics::EnergyDependentCalculator
 EnergyDependentCalculator ()
 
void notify_energy_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)
 
 PoseMetricCalculator ()
 
virtual void notify_structure_change ()
 

Protected Member Functions

virtual void lookup (std::string const &key, basic::MetricValueBase *valptr) const
 
virtual std::string print (std::string const &key) const
 
virtual void recompute (core::pose::Pose const &this_pose)
 this function doesn't actually recompute anything by itself, but calls the More...
 

Private Member Functions

void assert_calculators ()
 

Static Private Member Functions

static core::Size satisfaction_cutoff (std::string atom_type)
 

Private Attributes

core::Size all_bur_unsat_polars_
 
core::Size special_region_bur_unsat_polars_
 
core::id::AtomID_Map< boolatom_bur_unsat_
 
utility::vector1< core::Sizeresidue_bur_unsat_polars_
 
std::string name_of_hbond_calc_
 
std::string name_of_sasa_calc_
 
core::Real burial_sasa_cutoff_
 
std::set< core::Sizespecial_region_
 

Constructor & Destructor Documentation

protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::BuriedUnsatisfiedPolarsCalculator ( std::string  sasa_calc,
std::string  hbond_calc,
core::Real  burial_cutoff = basic::options::option[basic::options::OptionKeys::pose_metrics::atomic_burial_cutoff] 
)
protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::BuriedUnsatisfiedPolarsCalculator ( std::string  sasa_calc,
std::string  hbond_calc,
std::set< core::Size > const &  special_region,
core::Real  burial_cutoff = basic::options::option[basic::options::OptionKeys::pose_metrics::atomic_burial_cutoff] 
)

Member Function Documentation

void protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::assert_calculators ( )
private
core::pose::metrics::PoseMetricCalculatorOP protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::clone ( ) const
inlinevirtual
void protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::lookup ( std::string const &  key,
basic::MetricValueBase valptr 
) const
protectedvirtual
std::string const& protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::name_of_hbond_calc ( ) const
inline
std::string const& protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::name_of_sasa_calc ( ) const
inline
std::string protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::print ( std::string const &  key) const
protectedvirtual
void protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::recompute ( core::pose::Pose const &  this_pose)
protectedvirtual
core::Size protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::satisfaction_cutoff ( std::string  atom_type)
staticprivate

Referenced by recompute().

Member Data Documentation

core::Size protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::all_bur_unsat_polars_
private

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

core::id::AtomID_Map< bool > protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::atom_bur_unsat_
private
core::Real protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::burial_sasa_cutoff_
private

Referenced by clone(), and recompute().

std::string protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::name_of_hbond_calc_
private
std::string protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::name_of_sasa_calc_
private
utility::vector1< core::Size > protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::residue_bur_unsat_polars_
private
std::set< core::Size > protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::special_region_
private
core::Size protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::special_region_bur_unsat_polars_
private

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


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