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protocols::fldsgn::potentials::sspot::HSPairPotential Class Reference

secondary structure scoring cut from classic rosetta structure.h/structure.cc More...

#include <HSPairPotential.hh>

Inheritance diagram for protocols::fldsgn::potentials::sspot::HSPairPotential:
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Public Types

typedef std::string String
 
typedef core::Size Size
 
typedef core::Real Real
 
typedef core::Vector Vector
 
typedef core::pose::Pose Pose
 
typedef core::scoring::EnergyGraph EnergyGraph
 
typedef
protocols::fldsgn::topology::BB_Pos 
BB_Pos
 
typedef
protocols::fldsgn::topology::SS_Info2 
SS_Info2
 
typedef ObjexxFCL::FArray1D< int > FArray1D_int
 
typedef ObjexxFCL::FArray1D< RealFArray1D_real
 
typedef ObjexxFCL::FArray4D< RealFArray4D_real
 

Public Member Functions

 HSPairPotential ()
 default constructor More...
 
 ~HSPairPotential () override
 default destructor More...
 
void score (Pose const &pose, SS_Info2 const &ss_info, Real &hs_score) const
 score secondary structure More...
 

Private Member Functions

Real calc_phithetascore (core::Size const strand_seqsep, Real const phi, Real const theta) const
 
void helix_end (core::Size const &pos1, BB_Pos const &bb_pos, Vector &p1, Vector &p2) const
 function reads in two points in sequence and returns two points in space, More...
 
void load_phi_theta_bins (String const &ss_filename="scoring/score_functions/SecondaryStructurePotential/phi.theta.36.HS.resmooth")
 load phi/theta bins for use in secondary structure scoring More...
 

Private Attributes

Real dist_cutoff_
 
FArray4D_real phithetascore_
 

Detailed Description

secondary structure scoring cut from classic rosetta structure.h/structure.cc

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::fldsgn::potentials::sspot::HSPairPotential::HSPairPotential ( )

default constructor

References load_phi_theta_bins().

protocols::fldsgn::potentials::sspot::HSPairPotential::~HSPairPotential ( )
overridedefault

default destructor

Member Function Documentation

HSPairPotential::Real protocols::fldsgn::potentials::sspot::HSPairPotential::calc_phithetascore ( core::Size const  strand_seqsep,
Real const  phi,
Real const  theta 
) const
private

References phithetascore_.

Referenced by score().

void protocols::fldsgn::potentials::sspot::HSPairPotential::helix_end ( core::Size const &  pos1,
BB_Pos const &  bb_pos,
Vector p1,
Vector p2 
) const
private

function reads in two points in sequence and returns two points in space,

the endpoints of the axis through an alpha-helix

References protocols::fldsgn::topology::BB_Pos::C(), protocols::fldsgn::topology::BB_Pos::CA(), and protocols::fldsgn::topology::BB_Pos::N().

Referenced by score().

void protocols::fldsgn::potentials::sspot::HSPairPotential::load_phi_theta_bins ( String const &  ss_filename = "scoring/score_functions/SecondaryStructurePotential/phi.theta.36.HS.resmooth")
private

load phi/theta bins for use in secondary structure scoring

References phithetascore_.

Referenced by HSPairPotential().

void protocols::fldsgn::potentials::sspot::HSPairPotential::score ( Pose const &  pose,
SS_Info2 const &  ss_info,
Real hs_score 
) const

Member Data Documentation

Real protocols::fldsgn::potentials::sspot::HSPairPotential::dist_cutoff_
private

Referenced by score().

FArray4D_real protocols::fldsgn::potentials::sspot::HSPairPotential::phithetascore_
private

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