core::scoring::CenHBPotential Class Reference

#include <CenHBPotential.hh>

Inheritance diagram for core::scoring::CenHBPotential:

Collaboration diagram for core::scoring::CenHBPotential:

Public Member Functions
	CenHBPotential ()
Size	nlr_gaussians () const
Size	nsr_gaussians () const
void	clear ()
void	add_sr_gaussian (Real A_in, numeric::xyzVector< Real > mu_in, numeric::xyzVector< Real > sigma_in)
void	add_lr_gaussian (Real A_in, numeric::xyzVector< Real > mu_in, numeric::xyzVector< Real > sigma_in)
void	set_cutoff_sr (Real cut_in)
void	set_cutoff_lr (Real cut_in)
Real	func (Size seqsep, Real d, Real xd, Real xh) const
Vector	dfunc (Size seqsep, Real d, Real xd, Real xh) const
Real	cutoff (Size seqsep) const

Private Member Functions
Real	BesselI0 (Real X)

Private Attributes
utility::vector1< Real >	lr_As_
utility::vector1< Real >	sr_As_
utility::vector1 < numeric::xyzVector< Real > >	lr_mus_
utility::vector1 < numeric::xyzVector< Real > >	lr_sigmas_
utility::vector1 < numeric::xyzVector< Real > >	sr_mus_
utility::vector1 < numeric::xyzVector< Real > >	sr_sigmas_
Real	cutoff_sr_
Real	cutoff_lr_

Detailed Description

Definition at line 40 of file CenHBPotential.hh.

Constructor & Destructor Documentation

core::scoring::CenHBPotential::CenHBPotential

(

)

Definition at line 83 of file CenHBPotential.cc.

References protocols::comparative_modeling::features::A, add_lr_gaussian(), add_sr_gaussian(), cutoff_lr_, and cutoff_sr_.

Member Function Documentation

void core::scoring::CenHBPotential::add_lr_gaussian ( Real  A_in, numeric::xyzVector< Real >  mu_in, numeric::xyzVector< Real >  sigma_in  )

inline

Definition at line 72 of file CenHBPotential.hh.

References BesselI0(), lr_As_, lr_mus_, and lr_sigmas_.

Referenced by CenHBPotential().

void core::scoring::CenHBPotential::add_sr_gaussian ( Real  A_in, numeric::xyzVector< Real >  mu_in, numeric::xyzVector< Real >  sigma_in  )

inline

Definition at line 56 of file CenHBPotential.hh.

References BesselI0(), sr_As_, sr_mus_, and sr_sigmas_.

Referenced by CenHBPotential().

Real core::scoring::CenHBPotential::BesselI0 ( Real  X)

inlineprivate

Definition at line 102 of file CenHBPotential.hh.

Referenced by add_lr_gaussian(), and add_sr_gaussian().

void core::scoring::CenHBPotential::clear ( )

inline

Definition at line 47 of file CenHBPotential.hh.

References lr_As_, lr_mus_, lr_sigmas_, sr_As_, sr_mus_, and sr_sigmas_.

Real core::scoring::CenHBPotential::cutoff ( Size  seqsep) const

inline

Definition at line 98 of file CenHBPotential.hh.

References cutoff_lr_, and cutoff_sr_.

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

Vector core::scoring::CenHBPotential::dfunc	(	Size	seqsep,
		Real	d,
		Real	xd,
		Real	xh
	)		const

Definition at line 57 of file CenHBPotential.cc.

References lr_As_, lr_mus_, lr_sigmas_, sr_As_, sr_mus_, and sr_sigmas_.

Referenced by core::scoring::methods::CenHBEnergy::eval_residue_pair_derivatives().

Real core::scoring::CenHBPotential::func	(	Size	seqsep,
		Real	d,
		Real	xd,
		Real	xh
	)		const

Definition at line 40 of file CenHBPotential.cc.

References lr_As_, lr_mus_, lr_sigmas_, sr_As_, sr_mus_, and sr_sigmas_.

Referenced by core::scoring::methods::CenHBEnergy::residue_pair_energy().

Size core::scoring::CenHBPotential::nlr_gaussians ( ) const

inline

Definition at line 44 of file CenHBPotential.hh.

References lr_As_.

Size core::scoring::CenHBPotential::nsr_gaussians ( ) const

inline

Definition at line 45 of file CenHBPotential.hh.

References lr_As_.

void core::scoring::CenHBPotential::set_cutoff_lr ( Real  cut_in)

inline

Definition at line 89 of file CenHBPotential.hh.

References cutoff_lr_.

void core::scoring::CenHBPotential::set_cutoff_sr ( Real  cut_in)

inline

Definition at line 88 of file CenHBPotential.hh.

References cutoff_sr_.

Member Data Documentation

Real core::scoring::CenHBPotential::cutoff_lr_

private

Definition at line 125 of file CenHBPotential.hh.

Referenced by CenHBPotential(), cutoff(), and set_cutoff_lr().

Real core::scoring::CenHBPotential::cutoff_sr_

private

Definition at line 125 of file CenHBPotential.hh.

Referenced by CenHBPotential(), cutoff(), and set_cutoff_sr().

utility::vector1< Real > core::scoring::CenHBPotential::lr_As_

private

Definition at line 122 of file CenHBPotential.hh.

Referenced by add_lr_gaussian(), clear(), dfunc(), func(), nlr_gaussians(), and nsr_gaussians().

utility::vector1< numeric::xyzVector< Real > > core::scoring::CenHBPotential::lr_mus_

private

Definition at line 123 of file CenHBPotential.hh.

Referenced by add_lr_gaussian(), clear(), dfunc(), and func().

utility::vector1< numeric::xyzVector< Real > > core::scoring::CenHBPotential::lr_sigmas_

private

Definition at line 123 of file CenHBPotential.hh.

Referenced by add_lr_gaussian(), clear(), dfunc(), and func().

utility::vector1< Real > core::scoring::CenHBPotential::sr_As_

private

Definition at line 122 of file CenHBPotential.hh.

Referenced by add_sr_gaussian(), clear(), dfunc(), and func().

utility::vector1< numeric::xyzVector< Real > > core::scoring::CenHBPotential::sr_mus_

private

Definition at line 124 of file CenHBPotential.hh.

Referenced by add_sr_gaussian(), clear(), dfunc(), and func().

utility::vector1< numeric::xyzVector< Real > > core::scoring::CenHBPotential::sr_sigmas_

private

Definition at line 124 of file CenHBPotential.hh.

Referenced by add_sr_gaussian(), clear(), dfunc(), and func().

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

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