core::scoring::lkball::DerivativeFinderWadj Struct Reference

#include <LK_DomeEnergy.hh>

Public Member Functions
	DerivativeFinderWadj (Vector const &base, Vector const &water, Real w_dist, Real water_adjust)
numeric::xyzMatrix< Real >	dWadj_dBase ()
numeric::xyzMatrix< Real >	dWadj_dWater ()

Public Attributes
Vector	B
Vector	W
Vector	B_to_W
Real	B_to_W_norm
Real	B_to_W_norm2
Real	B_to_W_norm3
Real	wadj
Real	w_dist_
utility::vector1< Real >	x

Constructor & Destructor Documentation

DerivativeFinderWadj()

core::scoring::lkball::DerivativeFinderWadj::DerivativeFinderWadj	(	Vector const &	base,
		Vector const &	water,
		Real	w_dist,
		Real	water_adjust
	)

References B, B_to_W, B_to_W_norm, B_to_W_norm2, B_to_W_norm3, core::scoring::electron_density::square(), W, w_dist_, wadj, and x.

Member Function Documentation

dWadj_dBase()

numeric::xyzMatrix< Real > core::scoring::lkball::DerivativeFinderWadj::dWadj_dBase

(

)

References core::conformation::membrane::out, and x.

Referenced by core::scoring::lkball::LK_DomeEnergy::sum_deriv_contributions_for_heavyatom_pair_one_way().

dWadj_dWater()

numeric::xyzMatrix< Real > core::scoring::lkball::DerivativeFinderWadj::dWadj_dWater

(

)

References core::conformation::membrane::out, and x.

Referenced by core::scoring::lkball::LK_DomeEnergy::sum_deriv_contributions_for_heavyatom_pair_one_way().

Member Data Documentation

B

Vector core::scoring::lkball::DerivativeFinderWadj::B

Referenced by DerivativeFinderWadj().

B_to_W

Vector core::scoring::lkball::DerivativeFinderWadj::B_to_W

Referenced by DerivativeFinderWadj().

B_to_W_norm

Real core::scoring::lkball::DerivativeFinderWadj::B_to_W_norm

Referenced by DerivativeFinderWadj().

B_to_W_norm2

Real core::scoring::lkball::DerivativeFinderWadj::B_to_W_norm2

Referenced by DerivativeFinderWadj().

B_to_W_norm3

Real core::scoring::lkball::DerivativeFinderWadj::B_to_W_norm3

Referenced by DerivativeFinderWadj().

W

Vector core::scoring::lkball::DerivativeFinderWadj::W

Referenced by DerivativeFinderWadj().

w_dist_

Real core::scoring::lkball::DerivativeFinderWadj::w_dist_

Referenced by DerivativeFinderWadj().

wadj

Real core::scoring::lkball::DerivativeFinderWadj::wadj

Referenced by DerivativeFinderWadj().

x

utility::vector1<Real> core::scoring::lkball::DerivativeFinderWadj::x

Referenced by DerivativeFinderWadj(), dWadj_dBase(), and dWadj_dWater().

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

• src/core/scoring/lkball/LK_DomeEnergy.hh
• src/core/scoring/lkball/LK_DomeEnergy.cc