Rosetta Core  2014.35
Public Member Functions | Protected Attributes | List of all members
core::scoring::sasa::SasaMethod Class Referenceabstract

Abstract base class for SasaMethods. Feel free to edit as needed. More...

#include <SasaMethod.hh>

Public Member Functions

 SasaMethod (Real probe_radius, SasaRadii radii_set)
 
virtual ~SasaMethod ()
 
virtual Real calculate (const pose::Pose &pose, const id::AtomID_Map< bool > &atom_subset, id::AtomID_Map< Real > &atom_sasa, utility::vector1< Real > &rsd_sasa)=0
 Calculate Sasa. Atoms not calculated have -1 sasa in AtomID_Map. This is carried over for compatability purposes. More...
 
virtual std::string get_name () const =0
 
void set_include_probe_radius_in_calc (bool include_probe_radius)
 Include the probe radius in calc. Typical for SASA. More...
 
void set_probe_radius (Real probe_radius)
 Set the probe radius. Typical value is that of water at 1.4 A. More...
 
void set_radii_set (SasaRadii radii_set)
 Set the radii type. More...
 
void set_use_big_polar_hydrogen (bool big_polar_h)
 Legacy option to increase polar hydrogen radii to 1.08A. Supported for now. More...
 

Protected Attributes

Real probe_radius_
 
SasaRadii radii_set_
 
bool include_probe_radius_
 
bool use_big_polar_H_
 

Detailed Description

Abstract base class for SasaMethods. Feel free to edit as needed.

Constructor & Destructor Documentation

core::scoring::sasa::SasaMethod::SasaMethod ( Real  probe_radius,
SasaRadii  radii_set 
)
core::scoring::sasa::SasaMethod::~SasaMethod ( )
virtual

Member Function Documentation

virtual Real core::scoring::sasa::SasaMethod::calculate ( const pose::Pose pose,
const id::AtomID_Map< bool > &  atom_subset,
id::AtomID_Map< Real > &  atom_sasa,
utility::vector1< Real > &  rsd_sasa 
)
pure virtual

Calculate Sasa. Atoms not calculated have -1 sasa in AtomID_Map. This is carried over for compatability purposes.

Implemented in core::scoring::sasa::LeGrandSasa.

virtual std::string core::scoring::sasa::SasaMethod::get_name ( ) const
pure virtual
void core::scoring::sasa::SasaMethod::set_include_probe_radius_in_calc ( bool  include_probe_radius)

Include the probe radius in calc. Typical for SASA.

References include_probe_radius_.

void core::scoring::sasa::SasaMethod::set_probe_radius ( Real  probe_radius)

Set the probe radius. Typical value is that of water at 1.4 A.

References probe_radius_.

void core::scoring::sasa::SasaMethod::set_radii_set ( SasaRadii  radii_set)

Set the radii type.

References radii_set_.

void core::scoring::sasa::SasaMethod::set_use_big_polar_hydrogen ( bool  big_polar_h)

Legacy option to increase polar hydrogen radii to 1.08A. Supported for now.

References use_big_polar_H_.

Member Data Documentation

bool core::scoring::sasa::SasaMethod::include_probe_radius_
protected
Real core::scoring::sasa::SasaMethod::probe_radius_
protected
SasaRadii core::scoring::sasa::SasaMethod::radii_set_
protected
bool core::scoring::sasa::SasaMethod::use_big_polar_H_
protected

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