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core::scoring::membrane::MembraneData Class Reference

Mmebrane Data Class. More...

#include <MembraneData.hh>

Inheritance diagram for core::scoring::membrane::MembraneData:
Inheritance graph
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Public Member Functions

 MembraneData ()
 Default Constructor. More...
 
 ~MembraneData () override
 Destructor. More...
 
virtual void finalize (pose::Pose &pose) const
 Finalize Setup of MP Base Potential Class. More...
 
CenListInfo const & get_cenlist_from_pose (pose::Pose const &pose) const
 Access Cenlist from Pose. More...
 
ObjexxFCL::FArray3D< Realmem_env_log6 () const
 Membrane Base Potential Statistics. More...
 
ObjexxFCL::FArray3D< Realmem_env_log10 () const
 
ObjexxFCL::FArray1D< Realmem_cbeta_den6 () const
 
ObjexxFCL::FArray1D< Realmem_cbeta_den12 () const
 
ObjexxFCL::FArray1D< Realmem_cbeta_2TM_den6 () const
 
ObjexxFCL::FArray1D< Realmem_cbeta_2TM_den12 () const
 
ObjexxFCL::FArray1D< Realmem_cbeta_4TM_den6 () const
 
ObjexxFCL::FArray1D< Realmem_cbeta_4TM_den12 () const
 
ObjexxFCL::FArray4D< Realmem_pair_log () const
 
Real cen_dist5_pad () const
 Env Pair Potential Statistics. More...
 
Real cen_dist6_pad () const
 
Real cen_dist7_pad () const
 
Real cen_dist10_pad () const
 
Real cen_dist12_pad () const
 
Real cen_dist5_pad_plus () const
 
Real cen_dist6_pad_plus () const
 
Real cen_dist7_pad_plus () const
 
Real cen_dist10_pad_plus () const
 
Real cen_dist12_pad_plus () const
 
Real cen_dist5_pad_minus () const
 
Real cen_dist7_pad_minus () const
 
Real cen_dist10_pad_minus () const
 
Real cen_dist12_pad_minus () const
 
Real cen_dist5_pad_hinv () const
 
Real cen_dist6_pad_hinv () const
 
Real cen_dist7_pad_hinv () const
 
Real cen_dist10_pad_hinv () const
 
Real cen_dist12_pad_hinv () const
 
- Public Member Functions inherited from core::scoring::EnvPairPotential
 EnvPairPotential ()
 
void compute_centroid_environment (pose::Pose &pose) const
 
void finalize (pose::Pose &pose) const
 
void evaluate_env_and_cbeta_scores (pose::Pose const &pose, conformation::Residue const &rsd, Real &env_score, Real &cb_score6, Real &cb_score12) const
 
void evaluate_pair_and_cenpack_score (conformation::Residue const &rsd1, conformation::Residue const &rsd2, Real const cendist, Real &pair_contribution, Real &cenpack_contribution) const
 

Private Member Functions

void load_menv_info ()
 Database IO Helper Methods for Membrane. More...
 

Private Attributes

ObjexxFCL::FArray3D< Realmem_env_log6_
 Membrane Environment Pair Potential Statistics. More...
 
ObjexxFCL::FArray3D< Realmem_env_log10_
 
ObjexxFCL::FArray1D< Realmem_cbeta_den6_
 
ObjexxFCL::FArray1D< Realmem_cbeta_den12_
 
ObjexxFCL::FArray1D< Realmem_cbeta_2TM_den6_
 
ObjexxFCL::FArray1D< Realmem_cbeta_2TM_den12_
 
ObjexxFCL::FArray1D< Realmem_cbeta_4TM_den6_
 
ObjexxFCL::FArray1D< Realmem_cbeta_4TM_den12_
 
ObjexxFCL::FArray4D< Realmem_pair_log_
 
Real const cen_dist5_pad_
 Centroid Rotamer Pair Potential Statistics. More...
 
Real const cen_dist6_pad_
 
Real const cen_dist7_pad_
 
Real const cen_dist10_pad_
 
Real const cen_dist12_pad_
 
Real const cen_dist5_pad_plus_
 
Real const cen_dist6_pad_plus_
 
Real const cen_dist7_pad_plus_
 
Real const cen_dist10_pad_plus_
 
Real const cen_dist12_pad_plus_
 
Real const cen_dist5_pad_minus_
 
Real const cen_dist7_pad_minus_
 
Real const cen_dist10_pad_minus_
 
Real const cen_dist12_pad_minus_
 
Real const cen_dist5_pad_hinv_
 
Real const cen_dist6_pad_hinv_
 
Real const cen_dist7_pad_hinv_
 
Real const cen_dist10_pad_hinv_
 
Real const cen_dist12_pad_hinv_
 

Additional Inherited Members

- Static Public Member Functions inherited from core::scoring::EnvPairPotential
static CenListInfo const & cenlist_from_pose (pose::Pose const &)
 
static CenListInfononconst_cenlist_from_pose (pose::Pose &)
 

Detailed Description

Mmebrane Data Class.

Stores membrane potential statistics and cenlist access

Constructor & Destructor Documentation

core::scoring::membrane::MembraneData::MembraneData ( )

Default Constructor.

References load_menv_info().

core::scoring::membrane::MembraneData::~MembraneData ( )
overridedefault

Destructor.

Member Function Documentation

Real core::scoring::membrane::MembraneData::cen_dist10_pad ( ) const

References cen_dist10_pad_.

Real core::scoring::membrane::MembraneData::cen_dist10_pad_hinv ( ) const
Real core::scoring::membrane::MembraneData::cen_dist10_pad_minus ( ) const
Real core::scoring::membrane::MembraneData::cen_dist10_pad_plus ( ) const
Real core::scoring::membrane::MembraneData::cen_dist12_pad ( ) const

References cen_dist12_pad_.

Real core::scoring::membrane::MembraneData::cen_dist12_pad_hinv ( ) const
Real core::scoring::membrane::MembraneData::cen_dist12_pad_minus ( ) const
Real core::scoring::membrane::MembraneData::cen_dist12_pad_plus ( ) const

References cen_dist12_pad_plus_.

Real core::scoring::membrane::MembraneData::cen_dist5_pad ( ) const

Env Pair Potential Statistics.

References cen_dist5_pad_.

Real core::scoring::membrane::MembraneData::cen_dist5_pad_hinv ( ) const
Real core::scoring::membrane::MembraneData::cen_dist5_pad_minus ( ) const
Real core::scoring::membrane::MembraneData::cen_dist5_pad_plus ( ) const
Real core::scoring::membrane::MembraneData::cen_dist6_pad ( ) const

References cen_dist6_pad_.

Real core::scoring::membrane::MembraneData::cen_dist6_pad_hinv ( ) const

References cen_dist6_pad_hinv_.

Real core::scoring::membrane::MembraneData::cen_dist6_pad_plus ( ) const

References cen_dist6_pad_plus_.

Real core::scoring::membrane::MembraneData::cen_dist7_pad ( ) const

References cen_dist7_pad_.

Real core::scoring::membrane::MembraneData::cen_dist7_pad_hinv ( ) const
Real core::scoring::membrane::MembraneData::cen_dist7_pad_minus ( ) const
Real core::scoring::membrane::MembraneData::cen_dist7_pad_plus ( ) const
void core::scoring::membrane::MembraneData::finalize ( pose::Pose pose) const
virtual
CenListInfo const & core::scoring::membrane::MembraneData::get_cenlist_from_pose ( pose::Pose const &  pose) const

Access Cenlist from Pose.

Pose must already contain a cenlist object or this method will fail.

References core::pose::Pose::data().

Referenced by core::energy_methods::MPCbetaEnergy::residue_energy(), and core::energy_methods::MPEnvEnergy::residue_energy().

void core::scoring::membrane::MembraneData::load_menv_info ( )
private
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_2TM_den12 ( ) const

References mem_cbeta_2TM_den12_.

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_2TM_den6 ( ) const
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_4TM_den12 ( ) const

References mem_cbeta_4TM_den12_.

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_4TM_den6 ( ) const
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_den12 ( ) const
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_den6 ( ) const
ObjexxFCL::FArray3D< Real > core::scoring::membrane::MembraneData::mem_env_log10 ( ) const
ObjexxFCL::FArray3D< Real > core::scoring::membrane::MembraneData::mem_env_log6 ( ) const

Membrane Base Potential Statistics.

References mem_env_log6_.

Referenced by core::energy_methods::MPEnvEnergy::compute_mpenv_score().

ObjexxFCL::FArray4D< Real > core::scoring::membrane::MembraneData::mem_pair_log ( ) const

Member Data Documentation

Real const core::scoring::membrane::MembraneData::cen_dist10_pad_
private

Referenced by cen_dist10_pad().

Real const core::scoring::membrane::MembraneData::cen_dist10_pad_hinv_
private

Referenced by cen_dist10_pad_hinv().

Real const core::scoring::membrane::MembraneData::cen_dist10_pad_minus_
private

Referenced by cen_dist10_pad_minus().

Real const core::scoring::membrane::MembraneData::cen_dist10_pad_plus_
private

Referenced by cen_dist10_pad_plus().

Real const core::scoring::membrane::MembraneData::cen_dist12_pad_
private

Referenced by cen_dist12_pad().

Real const core::scoring::membrane::MembraneData::cen_dist12_pad_hinv_
private

Referenced by cen_dist12_pad_hinv().

Real const core::scoring::membrane::MembraneData::cen_dist12_pad_minus_
private

Referenced by cen_dist12_pad_minus().

Real const core::scoring::membrane::MembraneData::cen_dist12_pad_plus_
private

Referenced by cen_dist12_pad_plus().

Real const core::scoring::membrane::MembraneData::cen_dist5_pad_
private

Centroid Rotamer Pair Potential Statistics.

Referenced by cen_dist5_pad().

Real const core::scoring::membrane::MembraneData::cen_dist5_pad_hinv_
private

Referenced by cen_dist5_pad_hinv().

Real const core::scoring::membrane::MembraneData::cen_dist5_pad_minus_
private

Referenced by cen_dist5_pad_minus().

Real const core::scoring::membrane::MembraneData::cen_dist5_pad_plus_
private

Referenced by cen_dist5_pad_plus().

Real const core::scoring::membrane::MembraneData::cen_dist6_pad_
private

Referenced by cen_dist6_pad().

Real const core::scoring::membrane::MembraneData::cen_dist6_pad_hinv_
private

Referenced by cen_dist6_pad_hinv().

Real const core::scoring::membrane::MembraneData::cen_dist6_pad_plus_
private

Referenced by cen_dist6_pad_plus().

Real const core::scoring::membrane::MembraneData::cen_dist7_pad_
private

Referenced by cen_dist7_pad().

Real const core::scoring::membrane::MembraneData::cen_dist7_pad_hinv_
private

Referenced by cen_dist7_pad_hinv().

Real const core::scoring::membrane::MembraneData::cen_dist7_pad_minus_
private

Referenced by cen_dist7_pad_minus().

Real const core::scoring::membrane::MembraneData::cen_dist7_pad_plus_
private

Referenced by cen_dist7_pad_plus().

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_2TM_den12_
private
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_2TM_den6_
private
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_4TM_den12_
private
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_4TM_den6_
private
ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_den12_
private

Referenced by load_menv_info(), and mem_cbeta_den12().

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_den6_
private

Referenced by load_menv_info(), and mem_cbeta_den6().

ObjexxFCL::FArray3D< Real > core::scoring::membrane::MembraneData::mem_env_log10_
private

Referenced by load_menv_info(), and mem_env_log10().

ObjexxFCL::FArray3D< Real > core::scoring::membrane::MembraneData::mem_env_log6_
private

Membrane Environment Pair Potential Statistics.

Referenced by load_menv_info(), and mem_env_log6().

ObjexxFCL::FArray4D< Real > core::scoring::membrane::MembraneData::mem_pair_log_
private

Referenced by load_menv_info(), and mem_pair_log().


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