core::scoring::APBSConfig Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::APBSConfig:

Collaboration 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)
virtual	~APBSConfig ()

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

Detailed Description

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APBSConfig

Definition at line 98 of file APBSWrapper.hh.

Constructor & Destructor Documentation

core::scoring::APBSConfig::APBSConfig	(	pose::Pose const &	pose,
		int	natoms,
		int	dbg,
		bool	calcenergy
	)

Definition at line 300 of file APBSWrapper.cc.

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

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

virtual

Definition at line 338 of file APBSWrapper.cc.

Member Data Documentation

bool core::scoring::APBSConfig::calcenergy

Definition at line 186 of file APBSWrapper.hh.

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

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

Definition at line 178 of file APBSWrapper.hh.

Referenced by APBSConfig().

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

Definition at line 175 of file APBSWrapper.hh.

double core::scoring::APBSConfig::cfac

Definition at line 166 of file APBSWrapper.hh.

Referenced by APBSConfig().

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

Definition at line 176 of file APBSWrapper.hh.

Referenced by APBSConfig().

int core::scoring::APBSConfig::dbg

Definition at line 157 of file APBSWrapper.hh.

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

Definition at line 172 of file APBSWrapper.hh.

Referenced by APBSConfig().

double core::scoring::APBSConfig::fadd

Definition at line 167 of file APBSWrapper.hh.

Referenced by APBSConfig().

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

Definition at line 179 of file APBSWrapper.hh.

Referenced by APBSConfig().

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

Definition at line 177 of file APBSWrapper.hh.

Referenced by APBSConfig().

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

Definition at line 174 of file APBSWrapper.hh.

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

Definition at line 171 of file APBSWrapper.hh.

I_PARAM core::scoring::APBSConfig::i_param

Definition at line 183 of file APBSWrapper.hh.

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

Definition at line 181 of file APBSWrapper.hh.

Referenced by APBSConfig().

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

Definition at line 181 of file APBSWrapper.hh.

Referenced by APBSConfig().

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

Definition at line 181 of file APBSWrapper.hh.

Referenced by APBSConfig().

int core::scoring::APBSConfig::natoms

Definition at line 163 of file APBSWrapper.hh.

int core::scoring::APBSConfig::nsims

Definition at line 160 of file APBSWrapper.hh.

double core::scoring::APBSConfig::ofrac

Definition at line 182 of file APBSWrapper.hh.

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

Definition at line 173 of file APBSWrapper.hh.

R_PARAM core::scoring::APBSConfig::r_param

Definition at line 184 of file APBSWrapper.hh.

double core::scoring::APBSConfig::space

Definition at line 168 of file APBSWrapper.hh.

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