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core::scoring::APBSConfig Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::APBSConfig:
Inheritance graph
Collaboration diagram for core::scoring::APBSConfig:
Collaboration graph


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


Constructor & Destructor Documentation

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

Member Data Documentation

bool core::scoring::APBSConfig::calcenergy
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: