protocols::toolbox::pose_metric_calculators::PiPiCalculator Class Reference

#include <PiPiCalculator.hh>

Inheritance diagram for protocols::toolbox::pose_metric_calculators::PiPiCalculator:

Collaboration diagram for protocols::toolbox::pose_metric_calculators::PiPiCalculator:

Public Member Functions
	PiPiCalculator ()
	default constructor sets distance_cutoff to 5.0. This is what is usually defined as a Hbond between heavy atom (carbon) and Hydrogen More...
	PiPiCalculator (core::Real dist_cutoff)
	constructur where you define what the distance cutoff is for the pi pi More...
core::pose::metrics::PoseMetricCalculatorOP	clone () const
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 (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)
	not sure why they name this function recompute as you are actually computing the metric. Whateva More...

Private Attributes
core::Real	distance_cutoff_
core::Size	pi_pi_total_

Detailed Description

Definition at line 54 of file PiPiCalculator.hh.

Constructor & Destructor Documentation

protocols::toolbox::pose_metric_calculators::PiPiCalculator::PiPiCalculator

(

)

default constructor sets distance_cutoff to 5.0. This is what is usually defined as a Hbond between heavy atom (carbon) and Hydrogen

Definition at line 57 of file PiPiCalculator.cc.

protocols::toolbox::pose_metric_calculators::PiPiCalculator::PiPiCalculator

(

core::Real

dist_cutoff)

constructur where you define what the distance cutoff is for the pi pi

Definition at line 66 of file PiPiCalculator.cc.

Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP protocols::toolbox::pose_metric_calculators::PiPiCalculator::clone ( ) const

inlinevirtual

Implements core::pose::metrics::PoseMetricCalculator.

Definition at line 62 of file PiPiCalculator.hh.

void protocols::toolbox::pose_metric_calculators::PiPiCalculator::lookup ( std::string const &  key, basic::MetricValueBase *  valptr  ) const

protectedvirtual

Implements core::pose::metrics::StructureDependentCalculator.

Definition at line 77 of file PiPiCalculator.cc.

References pi_pi_total_.

std::string protocols::toolbox::pose_metric_calculators::PiPiCalculator::print ( std::string const &  key) const

protectedvirtual

Implements core::pose::metrics::StructureDependentCalculator.

Definition at line 89 of file PiPiCalculator.cc.

References pi_pi_total_.

void protocols::toolbox::pose_metric_calculators::PiPiCalculator::recompute ( core::pose::Pose const &  this_pose)

protectedvirtual

not sure why they name this function recompute as you are actually computing the metric. Whateva

Implements core::pose::metrics::StructureDependentCalculator.

Definition at line 102 of file PiPiCalculator.cc.

References core::kinematics::distance(), distance_cutoff_, core::pose::Pose::n_residue(), pi_pi_total_, and core::pose::Pose::residue().

Member Data Documentation

core::Real protocols::toolbox::pose_metric_calculators::PiPiCalculator::distance_cutoff_

private

Definition at line 63 of file PiPiCalculator.hh.

Referenced by recompute().

core::Size protocols::toolbox::pose_metric_calculators::PiPiCalculator::pi_pi_total_

private

Definition at line 67 of file PiPiCalculator.hh.

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

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

• src/protocols/toolbox/pose_metric_calculators/PiPiCalculator.hh
• src/protocols/toolbox/pose_metric_calculators/PiPiCalculator.cc