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protocols::minimization_packing::MinimalRotamer Class Reference

#include <GreenPacker.hh>

Inheritance diagram for protocols::minimization_packing::MinimalRotamer:
Inheritance graph
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Public Types

typedef core::chemical::AA AA
 
typedef core::chemical::ResidueType ResidueType
 
typedef core::conformation::Residue Residue
 
typedef core::Size Size
 
typedef core::Vector Vector
 
typedef core::Real Real
 

Public Member Functions

 ~MinimalRotamer () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 MinimalRotamer (Residue const &)
 
bool same (MinimalRotamer const &) const
 
bool same_residue_type (MinimalRotamer const &) const
 
AA aa () const
 

Private Member Functions

bool has_ideal_geometry (core::conformation::Residue const &res) const
 
bool atom_is_ideal (core::conformation::Residue const &res, core::Size const atom_id) const
 
void record_chi (core::conformation::Residue const &res)
 
void record_internal_geometry (core::conformation::Residue const &res)
 
void record_internal_geometry (core::conformation::Residue const &res, core::Size const atom_id)
 
bool chi_matches_coords (core::conformation::Residue const &res, core::Size chi_index) const
 
bool same_chi (MinimalRotamer const &other) const
 This tolerance may need fiddling with More...
 
bool same_nonideal_geometry (MinimalRotamer const &other) const
 These tolerances may need fiddling with More...
 
 MinimalRotamer ()
 
MinimalRotamer const & operator= (MinimalRotamer const &)
 

Private Attributes

ResidueType const & residue_type_
 
bool ideal_geometry_
 
utility::vector1< Realchi_
 
utility::vector1< Vectorinternal_geometry_
 

Static Private Attributes

static core::Size const d = 0
 
static core::Size const theta = 1
 
static core::Size const phi = 2
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::minimization_packing::MinimalRotamer::~MinimalRotamer ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

protocols::minimization_packing::MinimalRotamer::MinimalRotamer ( Residue const &  res)
protocols::minimization_packing::MinimalRotamer::MinimalRotamer ( )
private

No default constructor or assignment operator copy c-tor is fine

Member Function Documentation

core::chemical::AA protocols::minimization_packing::MinimalRotamer::aa ( ) const
bool protocols::minimization_packing::MinimalRotamer::atom_is_ideal ( core::conformation::Residue const &  res,
core::Size const  atom_id 
) const
private

Assumption: sidechain ideal coordinates do not depend on other residues ( as opposed to the backbone O for example, which depends on the coordinates of i+1.)

References core::chemical::ICoorAtomID::atomno(), core::chemical::ResidueType::chi_atoms(), core::chemical::ResidueType::icoor(), core::chemical::ResidueType::nchi(), core::chemical::AtomICoor::stub_atom1(), core::conformation::Residue::type(), and core::conformation::Residue::xyz().

Referenced by has_ideal_geometry().

bool protocols::minimization_packing::MinimalRotamer::chi_matches_coords ( core::conformation::Residue const &  res,
core::Size  chi_index 
) const
private
bool protocols::minimization_packing::MinimalRotamer::has_ideal_geometry ( core::conformation::Residue const &  res) const
private
MinimalRotamer const& protocols::minimization_packing::MinimalRotamer::operator= ( MinimalRotamer const &  )
private
void protocols::minimization_packing::MinimalRotamer::record_chi ( core::conformation::Residue const &  res)
private
void protocols::minimization_packing::MinimalRotamer::record_internal_geometry ( core::conformation::Residue const &  res)
private
void protocols::minimization_packing::MinimalRotamer::record_internal_geometry ( core::conformation::Residue const &  res,
core::Size const  atom_id 
)
private
bool protocols::minimization_packing::MinimalRotamer::same ( MinimalRotamer const &  other) const
bool protocols::minimization_packing::MinimalRotamer::same_chi ( MinimalRotamer const &  other) const
private

This tolerance may need fiddling with

References chi_, and ideal_geometry_.

Referenced by same().

bool protocols::minimization_packing::MinimalRotamer::same_nonideal_geometry ( MinimalRotamer const &  other) const
private

These tolerances may need fiddling with

References d, ideal_geometry_, internal_geometry_, phi, and theta.

Referenced by same().

bool protocols::minimization_packing::MinimalRotamer::same_residue_type ( MinimalRotamer const &  other) const

References residue_type_.

Member Data Documentation

utility::vector1< Real > protocols::minimization_packing::MinimalRotamer::chi_
private

Referenced by record_chi(), and same_chi().

core::Size const protocols::minimization_packing::MinimalRotamer::d = 0
staticprivate
bool protocols::minimization_packing::MinimalRotamer::ideal_geometry_
private
utility::vector1< Vector > protocols::minimization_packing::MinimalRotamer::internal_geometry_
private
core::Size const protocols::minimization_packing::MinimalRotamer::phi = 2
staticprivate
ResidueType const& protocols::minimization_packing::MinimalRotamer::residue_type_
private

Referenced by aa(), same(), and same_residue_type().

core::Size const protocols::minimization_packing::MinimalRotamer::theta = 1
staticprivate

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