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

#include <InterfaceSasaDefinitionCalculator.hh>

Inheritance diagram for core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator:
Inheritance graph
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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 override
 
- 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 () 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
 
- 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::Realatom_delta_sasa_
 
utility::vector1< core::Realresidue_delta_sasa_
 
core::id::AtomID_Map< boolinterface_atoms_
 
std::set< core::Sizeinterface_residues_
 
std::set< core::Sizechain1_interface_residues_
 
std::set< core::Sizechain2_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_
 

Constructor & Destructor Documentation

core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::InterfaceSasaDefinitionCalculator ( core::Size const  chain1_number,
core::Size const  chain2_number 
)
inline
core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::InterfaceSasaDefinitionCalculator ( char const  chain1_letter,
char const  chain2_letter 
)
inline

Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::clone ( ) const
inlineoverridevirtual
void core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::lookup ( std::string const &  key,
basic::MetricValueBase *  valptr 
) const
overrideprotectedvirtual
std::string core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::print ( std::string const &  key) const
overrideprotectedvirtual
void core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::recompute ( core::pose::Pose const &  this_pose)
overrideprotectedvirtual

Member Data Documentation

core::id::AtomID_Map< core::Real > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::atom_delta_sasa_
private
std::set< core::Size > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::chain1_interface_residues_
private
std::set< core::Size > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::chain2_interface_residues_
private
core::Real core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::delta_sasa_
private
core::Real core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::fraction_chain1_delta_sasa_
private
core::Real core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::fraction_chain2_delta_sasa_
private
core::id::AtomID_Map< bool > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::interface_atoms_
private
std::set< core::Size > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::interface_residues_
private
core::Size core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::num_chain1_interface_residues_
private
core::Size core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::num_chain2_interface_residues_
private
core::Size core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::num_interface_residues_
private
utility::vector1< core::Real > core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator::residue_delta_sasa_
private

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