core::scoring::SmoothScoreTermCoeffs Class Reference

#include <SmoothEnvPairPotential.hh>

Public Member Functions
	SmoothScoreTermCoeffs ()
void	add_sigmoid (numeric::xyzVector< Real > s_in)
void	add_gaussian (numeric::xyzVector< Real > g_in)
void	shift (Real s_in)
Size	nsigmoids ()
Size	ngaussians ()
numeric::xyzVector< Real >	sigmoid (Size i)
numeric::xyzVector< Real >	gaussian (Size i)
Real	shift ()
void	clear ()
Real	func (Real x) const
Real	dfunc (Real x) const

Private Attributes
utility::vector1 < numeric::xyzVector< Real > >	sigmoid_coeffs_
utility::vector1 < numeric::xyzVector< Real > >	gaussian_coeffs_
Real	shift_

Constructor & Destructor Documentation

core::scoring::SmoothScoreTermCoeffs::SmoothScoreTermCoeffs ( )

inline

Member Function Documentation

void core::scoring::SmoothScoreTermCoeffs::add_gaussian ( numeric::xyzVector< Real >  g_in )

inline

References gaussian_coeffs_, and numeric::constants::f::pi.

Referenced by core::scoring::CenRotEnvPairPotential::CenRotEnvPairPotential(), and core::scoring::SmoothEnvPairPotential::SmoothEnvPairPotential().

void core::scoring::SmoothScoreTermCoeffs::add_sigmoid ( numeric::xyzVector< Real >  s_in )

inline

References sigmoid_coeffs_.

Referenced by core::scoring::CenRotEnvPairPotential::CenRotEnvPairPotential(), and core::scoring::SmoothEnvPairPotential::SmoothEnvPairPotential().

void core::scoring::SmoothScoreTermCoeffs::clear ( )

inline

References gaussian_coeffs_, shift_, and sigmoid_coeffs_.

Real core::scoring::SmoothScoreTermCoeffs::dfunc

(

Real

x

)

const

References gaussian_coeffs_, core::chemical::q, and sigmoid_coeffs_.

Referenced by core::scoring::CenRotEnvPairPotential::evaluate_cen_rot_env_and_cbeta_deriv(), core::scoring::SmoothEnvPairPotential::evaluate_env_and_cbeta_deriv(), and core::scoring::SmoothEnvPairPotential::evaluate_pair_and_cenpack_deriv().

Real core::scoring::SmoothScoreTermCoeffs::func

(

Real

x

)

const

References gaussian_coeffs_, core::chemical::q, shift_, and sigmoid_coeffs_.

Referenced by core::scoring::CenRotEnvPairPotential::evaluate_cen_rot_env_and_cbeta_score(), core::scoring::SmoothEnvPairPotential::evaluate_env_and_cbeta_scores(), core::scoring::SmoothEnvPairPotential::evaluate_pair_and_cenpack_deriv(), and core::scoring::SmoothEnvPairPotential::evaluate_pair_and_cenpack_score().

numeric::xyzVector< Real > core::scoring::SmoothScoreTermCoeffs::gaussian ( Size  i )

inline

References gaussian_coeffs_.

Size core::scoring::SmoothScoreTermCoeffs::ngaussians ( )

inline

References gaussian_coeffs_.

Size core::scoring::SmoothScoreTermCoeffs::nsigmoids ( )

inline

References sigmoid_coeffs_.

void core::scoring::SmoothScoreTermCoeffs::shift ( Real  s_in )

inline

References shift_.

Referenced by core::scoring::CenRotEnvPairPotential::CenRotEnvPairPotential(), and core::scoring::SmoothEnvPairPotential::SmoothEnvPairPotential().

Real core::scoring::SmoothScoreTermCoeffs::shift ( )

inline

References shift_.

numeric::xyzVector< Real > core::scoring::SmoothScoreTermCoeffs::sigmoid ( Size  i )

inline

References sigmoid_coeffs_.

Member Data Documentation

utility::vector1< numeric::xyzVector< Real > > core::scoring::SmoothScoreTermCoeffs::gaussian_coeffs_

private

Referenced by add_gaussian(), clear(), dfunc(), func(), gaussian(), and ngaussians().

Real core::scoring::SmoothScoreTermCoeffs::shift_

private

Referenced by clear(), func(), and shift().

utility::vector1< numeric::xyzVector< Real > > core::scoring::SmoothScoreTermCoeffs::sigmoid_coeffs_

private

Referenced by add_sigmoid(), clear(), dfunc(), func(), nsigmoids(), and sigmoid().

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

• src/core/scoring/SmoothEnvPairPotential.hh
• src/core/scoring/SmoothEnvPairPotential.cc