Rosetta Core  2014.35
Public Types | Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
core::scoring::Rama2BOffset Class Reference

#include <Rama2BOffset.hh>

Public Types

typedef pose::Pose Pose
 
typedef chemical::AA AA
 

Public Member Functions

 Rama2BOffset ()
 
 ~Rama2BOffset ()
 
void eval_r2bo_rama_score (AA const res_aa1, AA const res_aa2, Real const psi, Real const omega, Real const phi, Real &score_rama, Real &denergy_dpsi1, Real &denergy_domega2, Real &denergy_dphi2) const
 
void eval_r2bo_omega_score (AA const res_aa1, AA const res_aa2, Real const psi, Real const omega, Real const phi, Real &score_rama, Real &denergy_dpsi1, Real &denergy_domega2, Real &denergy_dphi2) const
 
void eval_p_aa_pp_score (AA const res_aa1, AA const res_aa2, Real const psi, Real const phi, Real &score_paapp, Real &denergy_dpsi1, Real &denergy_dphi2) const
 Probability energies from P(aa|phi,psi): Low level calculation for non-terminus position. More...
 

Protected Member Functions

Size aapair_to_table_index (chemical::AA const res_aa1, chemical::AA const res_aa2, bool cis) const
 
void read_r2bo_tables ()
 load tables More...
 
void read_paapp_tables ()
 
void read_table_from_stream (utility::io::izstream &, ObjexxFCL::FArray2D< Real > &, ObjexxFCL::FArray2D< Real > &, ObjexxFCL::FArray2D< Real > &)
 
void read_paapp_table_from_stream (utility::io::izstream &, utility::vector1< ObjexxFCL::FArray2D< Real > > &)
 
void setup_interpolation (ObjexxFCL::FArray2D< Real > &, numeric::interpolation::spline::BicubicSpline &)
 

Protected Attributes

utility::vector1
< numeric::interpolation::spline::BicubicSpline
rama_
 
utility::vector1
< numeric::interpolation::spline::BicubicSpline
omega_mu_
 
utility::vector1
< numeric::interpolation::spline::BicubicSpline
omega_sig_
 
utility::vector1
< numeric::interpolation::spline::BicubicSpline
paapp1_
 
utility::vector1
< numeric::interpolation::spline::BicubicSpline
paapp2_
 

Member Typedef Documentation

Constructor & Destructor Documentation

core::scoring::Rama2BOffset::Rama2BOffset ( )
core::scoring::Rama2BOffset::~Rama2BOffset ( )
inline

Member Function Documentation

Size core::scoring::Rama2BOffset::aapair_to_table_index ( chemical::AA const  res_aa1,
chemical::AA const  res_aa2,
bool  cis 
) const
protected
void core::scoring::Rama2BOffset::eval_p_aa_pp_score ( AA const  res_aa1,
AA const  res_aa2,
Real const  psi,
Real const  phi,
Real score_paapp,
Real denergy_dpsi1,
Real denergy_dphi2 
) const

Probability energies from P(aa|phi,psi): Low level calculation for non-terminus position.

References core::chemical::element::F, paapp1_, and paapp2_.

Referenced by core::scoring::methods::Rama2BOffsetEnergy::eval_residue_pair_derivatives(), and core::scoring::methods::Rama2BOffsetEnergy::residue_pair_energy().

void core::scoring::Rama2BOffset::eval_r2bo_omega_score ( AA const  res_aa1,
AA const  res_aa2,
Real const  psi,
Real const  omega,
Real const  phi,
Real score_rama,
Real denergy_dpsi1,
Real denergy_domega2,
Real denergy_dphi2 
) const
void core::scoring::Rama2BOffset::eval_r2bo_rama_score ( AA const  res_aa1,
AA const  res_aa2,
Real const  psi,
Real const  omega,
Real const  phi,
Real score_rama,
Real denergy_dpsi1,
Real denergy_domega2,
Real denergy_dphi2 
) const
void core::scoring::Rama2BOffset::read_paapp_table_from_stream ( utility::io::izstream stream,
utility::vector1< ObjexxFCL::FArray2D< Real > > &  paas 
)
protected
void core::scoring::Rama2BOffset::read_paapp_tables ( )
protected
void core::scoring::Rama2BOffset::read_r2bo_tables ( )
protected
void core::scoring::Rama2BOffset::read_table_from_stream ( utility::io::izstream stream,
ObjexxFCL::FArray2D< Real > &  ramas,
ObjexxFCL::FArray2D< Real > &  om_mus,
ObjexxFCL::FArray2D< Real > &  om_sigmas 
)
protected

References getline(), l, and core::scoring::rama.

Referenced by read_r2bo_tables().

void core::scoring::Rama2BOffset::setup_interpolation ( ObjexxFCL::FArray2D< Real > &  x,
numeric::interpolation::spline::BicubicSpline sx 
)
protected

Member Data Documentation

utility::vector1< numeric::interpolation::spline::BicubicSpline > core::scoring::Rama2BOffset::omega_mu_
protected
utility::vector1< numeric::interpolation::spline::BicubicSpline > core::scoring::Rama2BOffset::omega_sig_
protected
utility::vector1< numeric::interpolation::spline::BicubicSpline > core::scoring::Rama2BOffset::paapp1_
protected
utility::vector1< numeric::interpolation::spline::BicubicSpline > core::scoring::Rama2BOffset::paapp2_
protected
utility::vector1< numeric::interpolation::spline::BicubicSpline > core::scoring::Rama2BOffset::rama_
protected

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