core::scoring::APBSConfig Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::APBSConfig:

Classes
class	I_PARAM
class	R_PARAM

Public Member Functions
	APBSConfig (pose::Pose const &pose, int natoms, int dbg, bool calcenergy, id::AtomID_Map< bool > const &present_atoms)
	~APBSConfig () override

Public Attributes
int	dbg
int	nsims
int	natoms
core::Real	cfac
core::Real	fadd
core::Real	space
core::Real	grid [3]
int	dime [3]
int	pdime [3]
core::Real	glen [3]
core::Real	center [3]
core::Real	cglen [3]
core::Real	fglen [3]
core::Real	ccenter [3]
core::Real	fcenter [3]
core::Real	ionq [4]
core::Real	ionc [4]
core::Real	ionr [4]
core::Real	ofrac
I_PARAM	i_param
R_PARAM	r_param
bool	calcenergy

Detailed Description

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APBSConfig

Constructor & Destructor Documentation

core::scoring::APBSConfig::APBSConfig	(	pose::Pose const &	pose,
		int	natoms,
		int	dbg,
		bool	calcenergy,
		id::AtomID_Map< bool > const &	present_atoms
	)

References ccenter, cfac, cglen, dime, fadd, fcenter, fglen, ionc, ionq, ionr, protocols::mean_field::max(), protocols::mean_field::min(), core::conformation::Residue::natoms(), core::pose::Pose::residue(), core::pose::Pose::size(), space, and core::conformation::Residue::xyz().

core::scoring::APBSConfig::~APBSConfig ( )

overridedefault

Member Data Documentation

bool core::scoring::APBSConfig::calcenergy

Referenced by core::scoring::APBSConfig::I_PARAM::raw_array().

core::Real core::scoring::APBSConfig::ccenter[3]

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::center[3]

core::Real core::scoring::APBSConfig::cfac

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::cglen[3]

Referenced by APBSConfig().

int core::scoring::APBSConfig::dbg

int core::scoring::APBSConfig::dime[3]

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::fadd

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::fcenter[3]

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::fglen[3]

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::glen[3]

core::Real core::scoring::APBSConfig::grid[3]

I_PARAM core::scoring::APBSConfig::i_param

core::Real core::scoring::APBSConfig::ionc[4]

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::ionq[4]

Referenced by APBSConfig().

core::Real core::scoring::APBSConfig::ionr[4]

Referenced by APBSConfig().

int core::scoring::APBSConfig::natoms

int core::scoring::APBSConfig::nsims

core::Real core::scoring::APBSConfig::ofrac

int core::scoring::APBSConfig::pdime[3]

R_PARAM core::scoring::APBSConfig::r_param

core::Real core::scoring::APBSConfig::space

Referenced by APBSConfig().

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

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