core::scoring::Membrane_FAEmbed Class Reference

#include <Membrane_FAPotential.hh>

Inheritance diagram for core::scoring::Membrane_FAEmbed:

Collaboration diagram for core::scoring::Membrane_FAEmbed:

Public Member Functions
	Membrane_FAEmbed ()
	Membrane_FAEmbed (Membrane_FAEmbed const &src)
basic::datacache::CacheableDataOP	clone () const
Real &	fa_proj (Size const seqpos, Size const atom)
Real	fa_proj (Size const seqpos, Size const atom) const
Real &	fa_depth (Size const seqpos, Size const atom)
Real	fa_depth (Size const seqpos, Size const atom) const
Real &	fa_proj_deriv (Size const seqpos, Size const atom)
Real	fa_proj_deriv (Size const seqpos, Size const atom) const
Vector &	fa_proj_coord (Size const seqpos, Size const atom)
Vector	fa_proj_coord (Size const seqpos, Size const atom) const
Real	fa_center () const
Real &	fa_center ()
Real	fa_penalty () const
Real &	fa_penalty ()
Real	thickness () const
Real &	thickness ()
Real	steepness () const
Real &	steepness ()
bool	calculated () const
bool &	calculated ()
bool	Fa_Membed_update () const
bool &	Fa_Membed_update ()
void	initialize (pose::Pose const &pose)

Private Member Functions
void	allocate_appropriate_memory (pose::Pose const &pose) const

Private Attributes
utility::vector1 < utility::vector1< Real > >	fa_proj_
utility::vector1 < utility::vector1< Real > >	fa_depth_
utility::vector1 < utility::vector1< Vector > >	fa_proj_coord_
utility::vector1 < utility::vector1< Real > >	fa_proj_deriv_
bool	calculated_
Real	fa_center_
Real	fa_penalty_
Real	thickness_
Real	steepness_
bool	Fa_Membed_update_

Detailed Description

Definition at line 53 of file Membrane_FAPotential.hh.

Constructor & Destructor Documentation

core::scoring::Membrane_FAEmbed::Membrane_FAEmbed ( )

inline

Definition at line 57 of file Membrane_FAPotential.hh.

Referenced by clone().

core::scoring::Membrane_FAEmbed::Membrane_FAEmbed

(

Membrane_FAEmbed const &

src)

Definition at line 73 of file Membrane_FAPotential.cc.

References calculated_, fa_center_, fa_depth_, Fa_Membed_update_, fa_proj_, fa_proj_coord_, and fa_proj_deriv_.

Member Function Documentation

void core::scoring::Membrane_FAEmbed::allocate_appropriate_memory ( pose::Pose const &  pose) const

private

Definition at line 95 of file Membrane_FAPotential.cc.

References fa_center_, fa_depth_, fa_proj_, fa_proj_coord_, fa_proj_deriv_, core::conformation::Residue::nheavyatoms(), core::pose::Pose::residue(), and core::pose::Pose::total_residue().

Referenced by initialize().

bool core::scoring::Membrane_FAEmbed::calculated ( ) const

inline

Definition at line 164 of file Membrane_FAPotential.hh.

References calculated_.

Referenced by core::scoring::Membrane_FAPotential::fa_projection(), and core::scoring::Membrane_FAPotential::finalize().

bool& core::scoring::Membrane_FAEmbed::calculated ( )

inline

Definition at line 170 of file Membrane_FAPotential.hh.

References calculated_.

basic::datacache::CacheableDataOP core::scoring::Membrane_FAEmbed::clone ( ) const

inline

Definition at line 62 of file Membrane_FAPotential.hh.

References Membrane_FAEmbed().

Real core::scoring::Membrane_FAEmbed::fa_center ( ) const

inline

Definition at line 116 of file Membrane_FAPotential.hh.

References fa_center_.

Referenced by core::scoring::Membrane_FAPotential::fa_projection().

Real& core::scoring::Membrane_FAEmbed::fa_center ( )

inline

Definition at line 122 of file Membrane_FAPotential.hh.

References fa_center_.

Real& core::scoring::Membrane_FAEmbed::fa_depth ( Size const  seqpos, Size const  atom  )

inline

Definition at line 80 of file Membrane_FAPotential.hh.

References fa_depth_.

Referenced by core::scoring::Membrane_FAPotential::fa_projection().

Real core::scoring::Membrane_FAEmbed::fa_depth ( Size const  seqpos, Size const  atom  ) const

inline

Definition at line 86 of file Membrane_FAPotential.hh.

References fa_depth_.

bool core::scoring::Membrane_FAEmbed::Fa_Membed_update ( ) const

inline

Definition at line 176 of file Membrane_FAPotential.hh.

References Fa_Membed_update_.

Referenced by core::scoring::Membrane_FAPotential::compute_fa_projection().

bool& core::scoring::Membrane_FAEmbed::Fa_Membed_update ( )

inline

Definition at line 182 of file Membrane_FAPotential.hh.

References Fa_Membed_update_.

Real core::scoring::Membrane_FAEmbed::fa_penalty ( ) const

inline

Definition at line 128 of file Membrane_FAPotential.hh.

References fa_penalty_.

Referenced by core::scoring::Membrane_FAPotential::fa_projection().

Real& core::scoring::Membrane_FAEmbed::fa_penalty ( )

inline

Definition at line 134 of file Membrane_FAPotential.hh.

References fa_penalty_.

Real& core::scoring::Membrane_FAEmbed::fa_proj ( Size const  seqpos, Size const  atom  )

inline

Definition at line 68 of file Membrane_FAPotential.hh.

References fa_proj_.

Referenced by core::scoring::methods::Fa_MbsolvEnergy::eval_atom_derivative(), core::scoring::Membrane_FAPotential::fa_projection(), core::scoring::methods::Fa_MbsolvEnergy::get_residue_pair_energy(), and core::scoring::methods::Fa_MbenvEnergy::residue_energy().

Real core::scoring::Membrane_FAEmbed::fa_proj ( Size const  seqpos, Size const  atom  ) const

inline

Definition at line 74 of file Membrane_FAPotential.hh.

References fa_proj_.

Vector& core::scoring::Membrane_FAEmbed::fa_proj_coord ( Size const  seqpos, Size const  atom  )

inline

Definition at line 104 of file Membrane_FAPotential.hh.

References fa_proj_coord_.

Referenced by core::scoring::methods::Fa_MbenvEnergy::eval_atom_derivative(), and core::scoring::Membrane_FAPotential::fa_projection().

Vector core::scoring::Membrane_FAEmbed::fa_proj_coord ( Size const  seqpos, Size const  atom  ) const

inline

Definition at line 110 of file Membrane_FAPotential.hh.

References fa_proj_coord_.

Real& core::scoring::Membrane_FAEmbed::fa_proj_deriv ( Size const  seqpos, Size const  atom  )

inline

Definition at line 92 of file Membrane_FAPotential.hh.

References fa_proj_deriv_.

Referenced by core::scoring::methods::Fa_MbenvEnergy::eval_atom_derivative(), and core::scoring::Membrane_FAPotential::fa_projection().

Real core::scoring::Membrane_FAEmbed::fa_proj_deriv ( Size const  seqpos, Size const  atom  ) const

inline

Definition at line 98 of file Membrane_FAPotential.hh.

References fa_proj_deriv_.

void core::scoring::Membrane_FAEmbed::initialize

(

pose::Pose const &

pose)

Definition at line 86 of file Membrane_FAPotential.cc.

References allocate_appropriate_memory(), Fa_Membed_update_, steepness_, and thickness_.

Referenced by core::scoring::Membrane_FAPotential::compute_fa_projection().

Real core::scoring::Membrane_FAEmbed::steepness ( ) const

inline

Definition at line 152 of file Membrane_FAPotential.hh.

References steepness_.

Referenced by core::scoring::hbonds::HBondEnergy::setup_for_packing(), and core::scoring::hbonds::HBondEnergy::setup_for_scoring().

Real& core::scoring::Membrane_FAEmbed::steepness ( )

inline

Definition at line 158 of file Membrane_FAPotential.hh.

References steepness_.

Real core::scoring::Membrane_FAEmbed::thickness ( ) const

inline

Definition at line 140 of file Membrane_FAPotential.hh.

References thickness_.

Referenced by core::scoring::hbonds::HBondEnergy::setup_for_packing(), and core::scoring::hbonds::HBondEnergy::setup_for_scoring().

Real& core::scoring::Membrane_FAEmbed::thickness ( )

inline

Definition at line 146 of file Membrane_FAPotential.hh.

References thickness_.

Member Data Documentation

bool core::scoring::Membrane_FAEmbed::calculated_

private

Definition at line 204 of file Membrane_FAPotential.hh.

Referenced by calculated(), and Membrane_FAEmbed().

Real core::scoring::Membrane_FAEmbed::fa_center_

mutableprivate

Definition at line 205 of file Membrane_FAPotential.hh.

Referenced by allocate_appropriate_memory(), fa_center(), and Membrane_FAEmbed().

utility::vector1< utility::vector1 < Real > > core::scoring::Membrane_FAEmbed::fa_depth_

mutableprivate

Definition at line 201 of file Membrane_FAPotential.hh.

Referenced by allocate_appropriate_memory(), fa_depth(), and Membrane_FAEmbed().

bool core::scoring::Membrane_FAEmbed::Fa_Membed_update_

private

Definition at line 209 of file Membrane_FAPotential.hh.

Referenced by Fa_Membed_update(), initialize(), and Membrane_FAEmbed().

Real core::scoring::Membrane_FAEmbed::fa_penalty_

mutableprivate

Definition at line 206 of file Membrane_FAPotential.hh.

Referenced by fa_penalty().

utility::vector1< utility::vector1 < Real > > core::scoring::Membrane_FAEmbed::fa_proj_

mutableprivate

Definition at line 200 of file Membrane_FAPotential.hh.

Referenced by allocate_appropriate_memory(), fa_proj(), and Membrane_FAEmbed().

utility::vector1< utility::vector1 < Vector > > core::scoring::Membrane_FAEmbed::fa_proj_coord_

mutableprivate

Definition at line 202 of file Membrane_FAPotential.hh.

Referenced by allocate_appropriate_memory(), fa_proj_coord(), and Membrane_FAEmbed().

utility::vector1< utility::vector1 < Real > > core::scoring::Membrane_FAEmbed::fa_proj_deriv_

mutableprivate

Definition at line 203 of file Membrane_FAPotential.hh.

Referenced by allocate_appropriate_memory(), fa_proj_deriv(), and Membrane_FAEmbed().

Real core::scoring::Membrane_FAEmbed::steepness_

private

Definition at line 208 of file Membrane_FAPotential.hh.

Referenced by initialize(), and steepness().

Real core::scoring::Membrane_FAEmbed::thickness_

private

Definition at line 207 of file Membrane_FAPotential.hh.

Referenced by initialize(), and thickness().

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

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