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

Mmebrane Data Class. More...

#include <MembraneData.hh>

Inheritance diagram for core::scoring::membrane::MembraneData:

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< Real >	mem_env_log6 () const
	Membrane Base Potential Statistics. More...
ObjexxFCL::FArray3D< Real >	mem_env_log10 () const
ObjexxFCL::FArray1D< Real >	mem_cbeta_den6 () const
ObjexxFCL::FArray1D< Real >	mem_cbeta_den12 () const
ObjexxFCL::FArray1D< Real >	mem_cbeta_2TM_den6 () const
ObjexxFCL::FArray1D< Real >	mem_cbeta_2TM_den12 () const
ObjexxFCL::FArray1D< Real >	mem_cbeta_4TM_den6 () const
ObjexxFCL::FArray1D< Real >	mem_cbeta_4TM_den12 () const
ObjexxFCL::FArray4D< Real >	mem_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< Real >	mem_env_log6_
	Membrane Environment Pair Potential Statistics. More...
ObjexxFCL::FArray3D< Real >	mem_env_log10_
ObjexxFCL::FArray1D< Real >	mem_cbeta_den6_
ObjexxFCL::FArray1D< Real >	mem_cbeta_den12_
ObjexxFCL::FArray1D< Real >	mem_cbeta_2TM_den6_
ObjexxFCL::FArray1D< Real >	mem_cbeta_2TM_den12_
ObjexxFCL::FArray1D< Real >	mem_cbeta_4TM_den6_
ObjexxFCL::FArray1D< Real >	mem_cbeta_4TM_den12_
ObjexxFCL::FArray4D< Real >	mem_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 CenListInfo &	nonconst_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

References cen_dist10_pad_hinv_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist10_pad_minus

(

)

const

References cen_dist10_pad_minus_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist10_pad_plus

(

)

const

References cen_dist10_pad_plus_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist12_pad

(

)

const

References cen_dist12_pad_.

Real core::scoring::membrane::MembraneData::cen_dist12_pad_hinv

(

)

const

References cen_dist12_pad_hinv_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist12_pad_minus

(

)

const

References cen_dist12_pad_minus_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

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

References cen_dist5_pad_hinv_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist5_pad_minus

(

)

const

References cen_dist5_pad_minus_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist5_pad_plus

(

)

const

References cen_dist5_pad_plus_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

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

References cen_dist7_pad_hinv_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist7_pad_minus

(

)

const

References cen_dist7_pad_minus_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

Real core::scoring::membrane::MembraneData::cen_dist7_pad_plus

(

)

const

References cen_dist7_pad_plus_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

void core::scoring::membrane::MembraneData::finalize ( pose::Pose &  pose ) const

virtual

Finalize Setup of MP Base Potential Class.

References core::scoring::CenListInfo::calculated(), and core::scoring::EnvPairPotential::nonconst_cenlist_from_pose().

Referenced by core::scoring::membrane::MPTMProjPenalty::finalize_total_energy(), core::energy_methods::MPCbetaEnergy::finalize_total_energy(), core::energy_methods::MPPairEnergy::finalize_total_energy(), core::scoring::membrane::MPTerminiPenalty::finalize_total_energy(), core::scoring::membrane::MPNonHelixPenalty::finalize_total_energy(), and core::energy_methods::MPEnvEnergy::finalize_total_energy().

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

Database IO Helper Methods for Membrane.

References protocols::cluster::calibur::aa, mem_cbeta_2TM_den12_, mem_cbeta_2TM_den6_, mem_cbeta_4TM_den12_, mem_cbeta_4TM_den6_, mem_cbeta_den12_, mem_cbeta_den6_, mem_env_log10_, mem_env_log6_, and mem_pair_log_.

Referenced by MembraneData().

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

References mem_cbeta_2TM_den6_.

Referenced by core::energy_methods::MPCbetaEnergy::compute_mpcbeta_score().

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

References mem_cbeta_4TM_den6_.

Referenced by core::energy_methods::MPCbetaEnergy::compute_mpcbeta_score().

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_den12

(

)

const

References mem_cbeta_den12_.

Referenced by core::energy_methods::MPCbetaEnergy::compute_mpcbeta_score().

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_den6

(

)

const

References mem_cbeta_den6_.

Referenced by core::energy_methods::MPCbetaEnergy::compute_mpcbeta_score().

ObjexxFCL::FArray3D< Real > core::scoring::membrane::MembraneData::mem_env_log10

(

)

const

References mem_env_log10_.

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

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

References mem_pair_log_.

Referenced by core::energy_methods::MPPairEnergy::compute_mpair_score().

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

Referenced by load_menv_info(), and mem_cbeta_2TM_den12().

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_2TM_den6_

private

Referenced by load_menv_info(), and mem_cbeta_2TM_den6().

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_4TM_den12_

private

Referenced by load_menv_info(), and mem_cbeta_4TM_den12().

ObjexxFCL::FArray1D< Real > core::scoring::membrane::MembraneData::mem_cbeta_4TM_den6_

private

Referenced by load_menv_info(), and mem_cbeta_4TM_den6().

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:

• src/core/scoring/membrane/MembraneData.hh
• src/core/scoring/membrane/MembraneData.cc