core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator Class Reference

#include <InterfaceSasaDefinitionCalculator.hh>

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

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

Public Member Functions
	InterfaceSasaDefinitionCalculator (core::Size const chain1_number, core::Size const chain2_number)
	InterfaceSasaDefinitionCalculator (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
core::Real	delta_sasa_
core::Real	fraction_chain1_delta_sasa_
core::Real	fraction_chain2_delta_sasa_
core::id::AtomID_Map< core::Real >	atom_delta_sasa_
utility::vector1< core::Real >	residue_delta_sasa_
core::id::AtomID_Map< bool >	interface_atoms_
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 36 of file InterfaceSasaDefinitionCalculator.hh.

Constructor & Destructor Documentation

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

inline

Definition at line 40 of file InterfaceSasaDefinitionCalculator.hh.

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

inline

Definition at line 43 of file InterfaceSasaDefinitionCalculator.hh.

Member Function Documentation

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

inlinevirtual

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

Definition at line 46 of file InterfaceSasaDefinitionCalculator.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::InterfaceSasaDefinitionCalculator::lookup ( std::string const &  key, basic::MetricValueBase *  valptr  ) const

protectedvirtual

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

Definition at line 53 of file InterfaceSasaDefinitionCalculator.cc.

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

protectedvirtual

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

Definition at line 127 of file InterfaceSasaDefinitionCalculator.cc.

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

protectedvirtual

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

Definition at line 175 of file InterfaceSasaDefinitionCalculator.cc.

References core::scoring::calc_per_atom_sasa(), core::id::AtomID_Map< T >::clear(), core::pose::initialize_atomid_map(), core::pose::Pose::residue(), and core::pose::Pose::total_residue().

Member Data Documentation

core::id::AtomID_Map< core::Real > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::atom_delta_sasa_

private

Definition at line 60 of file InterfaceSasaDefinitionCalculator.hh.

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

private

Definition at line 64 of file InterfaceSasaDefinitionCalculator.hh.

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

private

Definition at line 65 of file InterfaceSasaDefinitionCalculator.hh.

core::Real core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::delta_sasa_

private

Definition at line 57 of file InterfaceSasaDefinitionCalculator.hh.

core::Real core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::fraction_chain1_delta_sasa_

private

Definition at line 58 of file InterfaceSasaDefinitionCalculator.hh.

core::Real core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::fraction_chain2_delta_sasa_

private

Definition at line 59 of file InterfaceSasaDefinitionCalculator.hh.

core::id::AtomID_Map< bool > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::interface_atoms_

private

Definition at line 62 of file InterfaceSasaDefinitionCalculator.hh.

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

private

Definition at line 63 of file InterfaceSasaDefinitionCalculator.hh.

core::Size core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::num_chain1_interface_residues_

private

Definition at line 67 of file InterfaceSasaDefinitionCalculator.hh.

core::Size core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::num_chain2_interface_residues_

private

Definition at line 68 of file InterfaceSasaDefinitionCalculator.hh.

core::Size core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::num_interface_residues_

private

Definition at line 66 of file InterfaceSasaDefinitionCalculator.hh.

utility::vector1< core::Real > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::residue_delta_sasa_

private

Definition at line 61 of file InterfaceSasaDefinitionCalculator.hh.

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

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