Rosetta 3.4
Public Member Functions
core::scoring::PoissonBoltzmannPotential Class Reference

#include <PoissonBoltzmannPotential.hh>

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List of all members.

Public Member Functions

 PoissonBoltzmannPotential ()
 ~PoissonBoltzmannPotential ()
void read_APBS_potential (std::string const &apbs_potential_fn)
core::Real get_potential (ObjexxFCL::FArray3D< core::Real > const &potential, numeric::xyzVector< core::Real > const &cartX) const
void eval_PB_energy_residue (core::conformation::Residue const &rsd, Real &PB_energy_residue, Real &PB_energy_backbone, Real &PB_energy_sidechain, Real const &PB_burial_weight) const
void cart2idx (numeric::xyzVector< core::Real > const &cartX, numeric::xyzVector< core::Real > &idxX) const
template<class Q >
void idx2cart (numeric::xyzVector< Q > const &idxX, numeric::xyzVector< core::Real > &cartX) const
bool const isLoaded ()
numeric::xyzVector< core::Reallower_bound () const
numeric::xyzVector< core::Realupper_bound () const
bool out_of_bounds (numeric::xyzVector< core::Real > const cartX) const

Constructor & Destructor Documentation

core::scoring::PB::PoissonBoltzmannPotential ( )
core::scoring::PoissonBoltzmannPotential::~PoissonBoltzmannPotential ( ) [inline]

Member Function Documentation

void core::scoring::PoissonBoltzmannPotential::cart2idx ( numeric::xyzVector< core::Real > const &  cartX,
numeric::xyzVector< core::Real > &  idxX 
) const [inline]

Referenced by get_potential().

void core::scoring::PB::eval_PB_energy_residue ( core::conformation::Residue const &  rsd,
Real PB_energy_residue,
Real PB_energy_backbone,
Real PB_energy_sidechain,
Real const &  PB_burial_weight 
) const
core::Real core::scoring::PB::get_potential ( ObjexxFCL::FArray3D< core::Real > const &  potential,
numeric::xyzVector< core::Real > const &  cartX 
) const
template<class Q >
void core::scoring::PoissonBoltzmannPotential::idx2cart ( numeric::xyzVector< Q > const &  idxX,
numeric::xyzVector< core::Real > &  cartX 
) const [inline]

Referenced by read_APBS_potential().

bool const core::scoring::PoissonBoltzmannPotential::isLoaded ( ) [inline]
numeric::xyzVector< core::Real > core::scoring::PoissonBoltzmannPotential::lower_bound ( ) const [inline]

Referenced by out_of_bounds().

bool core::scoring::PoissonBoltzmannPotential::out_of_bounds ( numeric::xyzVector< core::Real > const  cartX) const [inline]

References lower_bound(), and upper_bound().

Referenced by get_potential().

void core::scoring::PB::read_APBS_potential ( std::string const &  apbs_potential_fn)

References idx2cart().

Referenced by core::scoring::get_PB_potential().

numeric::xyzVector< core::Real > core::scoring::PoissonBoltzmannPotential::upper_bound ( ) const [inline]

Referenced by out_of_bounds().


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