core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator Class Reference

#include <InterfaceNeighborDefinitionCalculator.hh>

Inheritance diagram for core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator:

Collaboration diagram for core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator:

Public Member Functions
	InterfaceNeighborDefinitionCalculator (core::Size const chain1_number, core::Size const chain2_number)
	InterfaceNeighborDefinitionCalculator (char const chain1_letter, char const chain2_letter)
core::pose::metrics::PoseMetricCalculatorOP	clone () const
Public Member Functions inherited from core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator
	InterfaceDefinitionCalculator (core::Size const chain1_number, core::Size const chain2_number)
	InterfaceDefinitionCalculator (char const chain1_letter, char const chain2_letter)
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)
Protected Member Functions inherited from core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator
virtual void	verify_chain_setup (core::pose::Pose const &pose)
virtual core::Size	chain_letter_to_number (core::pose::Pose const &pose, char const chain_id)
virtual void	fill_in_chain_terminii (core::pose::Pose const &pose)

Private Attributes
std::pair< utility::vector1 < core::Size > , utility::vector1< core::Size > >	list_interface_
std::set< core::Size >	interface_residues_
std::set< core::Size >	chain1_interface_residues_
std::set< core::Size >	chain2_interface_residues_
core::Size	num_interface_residues_
core::Size	num_chain1_interface_residues_
core::Size	num_chain2_interface_residues_

Additional Inherited Members
Protected Attributes inherited from core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator
core::Size	ch1_begin_num_
core::Size	ch1_end_num_
core::Size	ch2_begin_num_
core::Size	ch2_end_num_
core::Size	chain1_number_
core::Size	chain2_number_
char	chain1_letter_
char	chain2_letter_
bool	got_chain_numbers_

Detailed Description

Definition at line 35 of file InterfaceNeighborDefinitionCalculator.hh.

Constructor & Destructor Documentation

core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::InterfaceNeighborDefinitionCalculator ( core::Size const  chain1_number, core::Size const  chain2_number  )

inline

Definition at line 39 of file InterfaceNeighborDefinitionCalculator.hh.

core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::InterfaceNeighborDefinitionCalculator ( char const  chain1_letter, char const  chain2_letter  )

inline

Definition at line 42 of file InterfaceNeighborDefinitionCalculator.hh.

Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::clone ( ) const

inlinevirtual

Implements core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator.

Definition at line 45 of file InterfaceNeighborDefinitionCalculator.hh.

References core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator::chain1_number_, and core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator::chain2_number_.

void core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::lookup ( std::string const &  key, basic::MetricValueBase *  valptr  ) const

protectedvirtual

Implements core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator.

Definition at line 50 of file InterfaceNeighborDefinitionCalculator.cc.

std::string core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::print ( std::string const &  key) const

protectedvirtual

Implements core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator.

Definition at line 104 of file InterfaceNeighborDefinitionCalculator.cc.

void core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::recompute ( core::pose::Pose const &  this_pose)

protectedvirtual

Implements core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator.

Definition at line 141 of file InterfaceNeighborDefinitionCalculator.cc.

References core::pose::Pose::conformation(), and core::conformation::residue_point_graph_from_conformation().

Member Data Documentation

std::set< core::Size > core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::chain1_interface_residues_

private

Definition at line 58 of file InterfaceNeighborDefinitionCalculator.hh.

std::set< core::Size > core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::chain2_interface_residues_

private

Definition at line 59 of file InterfaceNeighborDefinitionCalculator.hh.

std::set< core::Size > core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::interface_residues_

private

Definition at line 57 of file InterfaceNeighborDefinitionCalculator.hh.

std::pair< utility::vector1<core::Size>, utility::vector1<core::Size> > core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::list_interface_

private

Definition at line 56 of file InterfaceNeighborDefinitionCalculator.hh.

core::Size core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::num_chain1_interface_residues_

private

Definition at line 61 of file InterfaceNeighborDefinitionCalculator.hh.

core::Size core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::num_chain2_interface_residues_

private

Definition at line 62 of file InterfaceNeighborDefinitionCalculator.hh.

core::Size core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator::num_interface_residues_

private

Definition at line 60 of file InterfaceNeighborDefinitionCalculator.hh.

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

• src/core/pose/metrics/simple_calculators/InterfaceNeighborDefinitionCalculator.hh
• src/core/pose/metrics/simple_calculators/InterfaceNeighborDefinitionCalculator.cc