core::scoring::APBSConfig Class Reference

#include <APBSWrapper.hh>

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

---

APBSConfig

Constructor & Destructor Documentation

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

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

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

virtual

Member Data Documentation

bool core::scoring::APBSConfig::calcenergy

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

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

Referenced by APBSConfig().

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

double core::scoring::APBSConfig::cfac

Referenced by APBSConfig().

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

Referenced by APBSConfig().

int core::scoring::APBSConfig::dbg

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

Referenced by APBSConfig().

double core::scoring::APBSConfig::fadd

Referenced by APBSConfig().

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

Referenced by APBSConfig().

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

Referenced by APBSConfig().

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

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

I_PARAM core::scoring::APBSConfig::i_param

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

Referenced by APBSConfig().

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

Referenced by APBSConfig().

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

Referenced by APBSConfig().

int core::scoring::APBSConfig::natoms

int core::scoring::APBSConfig::nsims

double core::scoring::APBSConfig::ofrac

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

R_PARAM core::scoring::APBSConfig::r_param

double core::scoring::APBSConfig::space

Referenced by APBSConfig().

---

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

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