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core::scoring::APBSConfig Class Reference

#include <APBSWrapper.hh>

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


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

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: