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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::APBSWrapper Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::APBSWrapper:
Inheritance graph

Public Member Functions

 APBSWrapper (pose::Pose const &pose, id::AtomID_Map< bool > const &charged_atoms, id::AtomID_Map< bool > const &present_atoms, int dbg, bool calcenergy)
 ~APBSWrapper () override
APBSResultCOP exec ()

Private Member Functions

int count_atoms (id::AtomID_Map< bool > const &present_atoms) const

Private Attributes

APBSConfigOP config
APBSResultOP result

Detailed Description

APBS wrapper

Constructor & Destructor Documentation

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

Member Function Documentation

int core::scoring::APBSWrapper::count_atoms ( id::AtomID_Map< bool > const &  present_atoms) const
APBSResultCOP core::scoring::APBSWrapper::exec ( )

References config, pqr, and result.

Member Data Documentation

APBSConfigOP core::scoring::APBSWrapper::config

Referenced by APBSWrapper(), and exec().

PQROP core::scoring::APBSWrapper::pqr

Referenced by APBSWrapper(), and exec().

APBSResultOP core::scoring::APBSWrapper::result

Referenced by APBSWrapper(), and exec().

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