core::scoring::APBSWrapper Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::APBSWrapper:

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
PQROP	pqr
APBSConfigOP	config
APBSResultOP	result

Detailed Description

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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
	)

References config, count_atoms(), pqr, result, and core::scoring::TR().

core::scoring::APBSWrapper::~APBSWrapper ( )

overridedefault

Member Function Documentation

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

private

References core::id::AtomID_Map< T >::n_atom(), and core::id::AtomID_Map< T >::n_residue().

Referenced by APBSWrapper().

APBSResultCOP core::scoring::APBSWrapper::exec

(

)

References config, pqr, and result.

Member Data Documentation

APBSConfigOP core::scoring::APBSWrapper::config

private

Referenced by APBSWrapper(), and exec().

PQROP core::scoring::APBSWrapper::pqr

private

Referenced by APBSWrapper(), and exec().

APBSResultOP core::scoring::APBSWrapper::result

private

Referenced by APBSWrapper(), and exec().

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

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