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core::scoring::APBSConfig Class Reference

#include <APBSWrapper.hh>

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


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


Constructor & Destructor Documentation

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

Member Data Documentation

bool core::scoring::APBSConfig::calcenergy
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().

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