core::scoring::DerivVectorPair Class Reference

A glorified struct for holding f1/f2 vectors used to represent the derivatives in our internal-geometry based minimization algorithms. More...

#include <DerivVectorPair.hh>

Public Member Functions
	DerivVectorPair ()
Vector &	f1 ()
Vector &	f2 ()
Vector const &	f1 () const
Vector const &	f2 () const
DerivVectorPair &	operator+= (DerivVectorPair const &rhs)

Private Attributes
Vector	f1_
Vector	f2_

Detailed Description

A glorified struct for holding f1/f2 vectors used to represent the derivatives in our internal-geometry based minimization algorithms.

Constructor & Destructor Documentation

core::scoring::DerivVectorPair::DerivVectorPair ( )

inline

Member Function Documentation

Vector& core::scoring::DerivVectorPair::f1 ( )

inline

References f1_.

Referenced by core::scoring::hbonds::assign_abase_derivs(), core::scoring::hbonds::NPDHBondEnergy::eval_atom_derivative(), core::scoring::magnesium::MgEnergy::eval_mg_interaction(), core::scoring::geometric_solvation::fill_atom_derivs_for_acceptor(), core::scoring::geometric_solvation::fill_atom_derivs_for_donor(), core::scoring::methods::WaterAdductHBondEnergy::get_atom_h2o_hbond_derivative(), core::scoring::hbonds::hb_energy_deriv_u2(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::occluded_water_hbond_penalty(), and core::scoring::operator*().

Vector const& core::scoring::DerivVectorPair::f1 ( ) const

inline

References f1_.

Vector& core::scoring::DerivVectorPair::f2 ( )

inline

References f2_.

Referenced by core::scoring::hbonds::assign_abase_derivs(), protocols::ligand_docking::ga_ligand_dock::GridScorer::derivatives(), core::scoring::hbonds::NPDHBondEnergy::eval_atom_derivative(), core::scoring::magnesium::MgEnergy::eval_mg_interaction(), core::scoring::geometric_solvation::fill_atom_derivs_for_acceptor(), core::scoring::geometric_solvation::fill_atom_derivs_for_donor(), core::scoring::methods::WaterAdductHBondEnergy::get_atom_h2o_hbond_derivative(), core::scoring::hbonds::hb_energy_deriv_u2(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::occluded_water_hbond_penalty(), and core::scoring::operator*().

Vector const& core::scoring::DerivVectorPair::f2 ( ) const

inline

References f2_.

DerivVectorPair& core::scoring::DerivVectorPair::operator+= ( DerivVectorPair const &  rhs )

inline

References f1_, and f2_.

Member Data Documentation

Vector core::scoring::DerivVectorPair::f1_

private

Referenced by f1(), and operator+=().

Vector core::scoring::DerivVectorPair::f2_

private

Referenced by f2(), and operator+=().

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

• src/core/scoring/DerivVectorPair.hh