core::scoring::VdWTinkerResidueInfo Class Reference

#include <VdWTinkerPotential.hh>

Inheritance diagram for core::scoring::VdWTinkerResidueInfo:

Public Types
typedef conformation::Residue	Residue
typedef numeric::xyzMatrix< Real >	Matrix
typedef numeric::xyzVector< Real >	Vector

Public Member Functions
	~VdWTinkerResidueInfo () override
VdWTinkerResidueInfoOP	copy_clone () const
basic::datacache::CacheableDataOP	clone () const override
	VdWTinkerResidueInfo ()
	VdWTinkerResidueInfo (Residue const &rsd)
Size	vdw_type (Size const atm) const
Size &	nonconst_vdw_type (Size const atm)
void	initialize (Residue const &rsd)

Private Attributes
utility::vector1< Size >	vdw_type_

Member Typedef Documentation

Matrix

typedef numeric::xyzMatrix< Real > core::scoring::VdWTinkerResidueInfo::Matrix

Residue

typedef conformation::Residue core::scoring::VdWTinkerResidueInfo::Residue

Vector

typedef numeric::xyzVector< Real > core::scoring::VdWTinkerResidueInfo::Vector

Constructor & Destructor Documentation

~VdWTinkerResidueInfo()

core::scoring::VdWTinkerResidueInfo::~VdWTinkerResidueInfo ( )

overridedefault

VdWTinkerResidueInfo() [1/2]

core::scoring::VdWTinkerResidueInfo::VdWTinkerResidueInfo ( )

inline

VdWTinkerResidueInfo() [2/2]

core::scoring::VdWTinkerResidueInfo::VdWTinkerResidueInfo ( Residue const &  rsd )

inline

References initialize().

Member Function Documentation

clone()

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

inlineoverride

copy_clone()

VdWTinkerResidueInfoOP core::scoring::VdWTinkerResidueInfo::copy_clone ( ) const

inline

Referenced by core::energy_methods::VdWTinkerEnergy::setup_for_minimizing_for_residue().

initialize()

void core::scoring::VdWTinkerResidueInfo::initialize

(

conformation::Residue const &

rsd

)

References core::conformation::Residue::natoms(), and vdw_type_.

Referenced by core::scoring::VdWTinkerPotential::update_residue_for_packing(), and VdWTinkerResidueInfo().

nonconst_vdw_type()

Size& core::scoring::VdWTinkerResidueInfo::nonconst_vdw_type ( Size const  atm )

inline

References vdw_type_.

vdw_type()

Size core::scoring::VdWTinkerResidueInfo::vdw_type ( Size const  atm ) const

inline

References vdw_type_.

Referenced by core::scoring::VdWTinkerPotential::eval_residue_pair_derivatives(), and core::scoring::VdWTinkerPotential::get_res_res_vdw().

Member Data Documentation

vdw_type_

utility::vector1< Size > core::scoring::VdWTinkerResidueInfo::vdw_type_

private

Referenced by initialize(), nonconst_vdw_type(), and vdw_type().

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

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