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protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential Class Reference

#include <NatbiasHelixPairPotential.hh>

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

typedef core::Size Size
 
typedef core::Real Real
 
typedef core::Vector Vector
 
typedef core::pose::Pose Pose
 
typedef
protocols::fldsgn::topology::SS_Info2 
SS_Info2
 
typedef
protocols::fldsgn::topology::SS_Info2_OP 
SS_Info2_OP
 
typedef
protocols::fldsgn::topology::SS_Info2_COP 
SS_Info2_COP
 
typedef
protocols::fldsgn::topology::HelixPairing 
HelixPairing
 
typedef
protocols::fldsgn::topology::HelixPairings 
HelixPairings
 
typedef
protocols::fldsgn::topology::HelixPairingSetOP 
HelixPairingSetOP
 

Public Member Functions

 NatbiasHelixPairPotential ()
 default constructor More...
 
 NatbiasHelixPairPotential (HelixPairingSetOP const hpairset)
 value constructor More...
 
 NatbiasHelixPairPotential (NatbiasHelixPairPotential const &src)
 copy constructor More...
 
 ~NatbiasHelixPairPotential () override
 default destructor More...
 
void set_params ()
 set parmeters More...
 
void set_hpairset (HelixPairingSetOP const hpairset)
 set HelixPairingSet More...
 
void set_params_distance_pot (Real w, Real d, Real s)
 set parameters for distance score between mid points of helices More...
 
void set_params_angle_pot (Real w, Real d, Real s)
 set parameters for angle score of helix pair More...
 
void set_dist_wts (Real const r)
 
void set_dist (Real const r)
 set distance parmeter More...
 
void set_dist_sigma2 (Real const r)
 
void set_angle_wts (Real const r)
 
void set_angle (Real const r)
 
void set_angle_sigma2 (Real const r)
 
void set_bendangle (Real r)
 set bend angle More...
 
void show (Pose const &pose) const
 
void show_params () const
 show parameters More...
 
void score (SS_Info2_COP const ss_info, Real &hh_score) const
 score secondary structure More...
 

Private Attributes

Real bend_angle_
 
Real dist_wts_
 
Real mid_dist_
 optimal maximum length between mid points of helices More...
 
Real dist_sigma2_
 
Real angle_wts_
 
Real cross_angle_
 optimal maximum angle of helix pair More...
 
Real angle_sigma2_
 
HelixPairingSetOP hpairset_
 
utility::vector1< Realhh_scores_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::NatbiasHelixPairPotential ( )

default constructor

default constructor

References set_params().

protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::NatbiasHelixPairPotential ( HelixPairingSetOP const  hpairset)

value constructor

References set_params().

protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::NatbiasHelixPairPotential ( NatbiasHelixPairPotential const &  src)

copy constructor

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

default destructor

Member Function Documentation

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::score ( SS_Info2_COP const  ss_info,
Real hh_score 
) const
void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_angle ( Real const  r)
inline

References cross_angle_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_angle_sigma2 ( Real const  r)
inline

References angle_sigma2_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_angle_wts ( Real const  r)
inline

References angle_wts_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_bendangle ( Real  r)
inline

set bend angle

References bend_angle_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_dist ( Real const  r)
inline

set distance parmeter

References mid_dist_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_dist_sigma2 ( Real const  r)
inline

References dist_sigma2_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_dist_wts ( Real const  r)
inline

References dist_wts_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_hpairset ( HelixPairingSetOP const  hpairset)

set HelixPairingSet

References hpairset_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_params ( )
void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_params_angle_pot ( Real  w,
Real  d,
Real  s 
)

set parameters for angle score of helix pair

References angle_sigma2_, angle_wts_, and cross_angle_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::set_params_distance_pot ( Real  w,
Real  d,
Real  s 
)

set parameters for distance score between mid points of helices

References dist_sigma2_, dist_wts_, and mid_dist_.

void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::show ( Pose const &  pose) const
void protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::show_params ( ) const

Member Data Documentation

Real protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::angle_sigma2_
private
Real protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::angle_wts_
private
Real protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::bend_angle_
private

Referenced by score(), set_bendangle(), and set_params().

Real protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::cross_angle_
private

optimal maximum angle of helix pair

Referenced by score(), set_angle(), set_params(), set_params_angle_pot(), and show_params().

Real protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::dist_sigma2_
private
Real protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::dist_wts_
private
utility::vector1< Real > protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::hh_scores_
mutableprivate

Referenced by score(), and show().

HelixPairingSetOP protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::hpairset_
private

Referenced by score(), set_hpairset(), and show().

Real protocols::fldsgn::potentials::sspot::NatbiasHelixPairPotential::mid_dist_
private

optimal maximum length between mid points of helices

Referenced by score(), set_dist(), set_params(), set_params_distance_pot(), and show_params().


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