protocols::pose_metric_calculators::PiPiCalculator Class Reference

#include <PiPiCalculator.hh>

Inheritance diagram for protocols::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 override
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 (std::string const &key, basic::MetricValueBase *valptr) const override
std::string	print (std::string const &key) const override
void	recompute (core::pose::Pose const &this_pose) override
	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_

Constructor & Destructor Documentation

PiPiCalculator() [1/2]

protocols::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

PiPiCalculator() [2/2]

protocols::pose_metric_calculators::PiPiCalculator::PiPiCalculator

(

core::Real

dist_cutoff

)

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

Member Function Documentation

clone()

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

inlineoverridevirtual

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

References distance_cutoff_.

lookup()

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

overrideprotectedvirtual

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

References pi_pi_total_.

print()

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

overrideprotectedvirtual

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

References pi_pi_total_, and core::id::to_string().

recompute()

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

overrideprotectedvirtual

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

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

References core::conformation::Residue::atom_name(), core::kinematics::distance(), distance_cutoff_, core::conformation::Residue::first_sidechain_atom(), core::conformation::Residue::Haro_index(), core::conformation::Residue::name3(), core::conformation::Residue::nheavyatoms(), pi_pi_total_, core::pose::Pose::residue(), core::pose::Pose::size(), and core::conformation::Residue::xyz().

Member Data Documentation

distance_cutoff_

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

private

Referenced by clone(), and recompute().

pi_pi_total_

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

private

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

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

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