core::scoring::CenListInfo Class Reference

Keep track of the cenlist information. More...

#include <EnvPairPotential.hh>

Inheritance diagram for core::scoring::CenListInfo:

Public Member Functions
	CenListInfo ()
basic::datacache::CacheableDataOP	clone () const override
Size	size () const
Real	fcen6 (Size const seqpos) const
Real &	fcen6 (Size const seqpos)
Real	fcen10 (Size const seqpos) const
Real &	fcen10 (Size const seqpos)
Real	fcen12 (Size const seqpos) const
Real &	fcen12 (Size const seqpos)
bool	calculated () const
bool &	calculated ()
void	initialize (pose::Pose const &pose)
void	set_fcen6 (Size const seqpos, Real value)
void	set_fcen10 (Size const seqpos, Real value)
void	set_fcen12 (Size const seqpos, Real value)

Private Attributes
utility::vector1< Real >	fcen6_
utility::vector1< Real >	fcen10_
utility::vector1< Real >	fcen12_
bool	calculated_

Detailed Description

Keep track of the cenlist information.

Constructor & Destructor Documentation

CenListInfo()

core::scoring::CenListInfo::CenListInfo ( )

inline

Member Function Documentation

calculated() [1/2]

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

inline

References calculated_.

calculated() [2/2]

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

inline

References calculated_.

Referenced by core::scoring::EnvPairPotential::compute_centroid_environment(), protocols::scoring::InterchainPotential::finalize(), core::scoring::EnvPairPotential::finalize(), core::scoring::membrane::MembraneData::finalize(), core::scoring::Membrane_FAPotential::finalize(), and core::scoring::MembranePotential::finalize().

clone()

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

inlineoverride

fcen10() [1/2]

Real& core::scoring::CenListInfo::fcen10 ( Size const  seqpos )

inline

References fcen10_.

fcen10() [2/2]

Real core::scoring::CenListInfo::fcen10 ( Size const  seqpos ) const

inline

References fcen10_.

Referenced by protocols::simple_moves::StructProfileMover::calc_cenlist(), core::energy_methods::MPEnvEnergy::compute_mpenv_score(), core::scoring::EnvPairPotential::evaluate_env_and_cbeta_scores(), core::scoring::EnvPairPotential::fill_cenlist(), core::energy_methods::MembraneLipo::finalize_total_energy(), and core::scoring::EnvPairPotential::truncate_cenlist_values().

fcen12() [1/2]

Real& core::scoring::CenListInfo::fcen12 ( Size const  seqpos )

inline

References fcen12_.

fcen12() [2/2]

Real core::scoring::CenListInfo::fcen12 ( Size const  seqpos ) const

inline

References fcen12_.

Referenced by protocols::simple_moves::StructProfileMover::calc_cenlist(), core::energy_methods::MPCbetaEnergy::compute_mpcbeta_score(), core::scoring::EnvPairPotential::evaluate_env_and_cbeta_scores(), core::scoring::EnvPairPotential::fill_cenlist(), and core::scoring::EnvPairPotential::truncate_cenlist_values().

fcen6() [1/2]

Real& core::scoring::CenListInfo::fcen6 ( Size const  seqpos )

inline

References fcen6_.

fcen6() [2/2]

Real core::scoring::CenListInfo::fcen6 ( Size const  seqpos ) const

inline

References fcen6_.

Referenced by protocols::simple_moves::StructProfileMover::calc_cenlist(), core::energy_methods::MPCbetaEnergy::compute_mpcbeta_score(), core::energy_methods::MPEnvEnergy::compute_mpenv_score(), core::scoring::EnvPairPotential::evaluate_env_and_cbeta_scores(), core::scoring::EnvPairPotential::fill_cenlist(), and core::scoring::EnvPairPotential::truncate_cenlist_values().

initialize()

void core::scoring::CenListInfo::initialize

(

pose::Pose const &

pose

)

References fcen10_, fcen12_, fcen6_, and core::pose::Pose::size().

Referenced by core::scoring::EnvPairPotential::compute_centroid_environment(), and core::scoring::MembranePotential::compute_membrane_embedding().

set_fcen10()

void core::scoring::CenListInfo::set_fcen10 ( Size const  seqpos, Real  value  )

inline

References fcen10_.

set_fcen12()

void core::scoring::CenListInfo::set_fcen12 ( Size const  seqpos, Real  value  )

inline

References fcen12_.

set_fcen6()

void core::scoring::CenListInfo::set_fcen6 ( Size const  seqpos, Real  value  )

inline

References fcen6_.

size()

Size core::scoring::CenListInfo::size ( ) const

inline

References fcen6_.

Referenced by core::scoring::EnvPairPotential::truncate_cenlist_values().

Member Data Documentation

calculated_

bool core::scoring::CenListInfo::calculated_

private

Referenced by calculated().

fcen10_

utility::vector1< Real > core::scoring::CenListInfo::fcen10_

private

Referenced by fcen10(), initialize(), and set_fcen10().

fcen12_

utility::vector1< Real > core::scoring::CenListInfo::fcen12_

private

Referenced by fcen12(), initialize(), and set_fcen12().

fcen6_

utility::vector1< Real > core::scoring::CenListInfo::fcen6_

private

Referenced by fcen6(), initialize(), set_fcen6(), and size().

---

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

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