core::scoring::APBSWrapper Class Reference

#include <APBSWrapper.hh>

Inheritance diagram for core::scoring::APBSWrapper:

Collaboration diagram for core::scoring::APBSWrapper:

Public Member Functions
	APBSWrapper (pose::Pose const &pose, std::map< std::string, bool > const &charged_residues, int dbg, bool calcenergy)
virtual	~APBSWrapper ()
APBSResultCOP	exec ()

Private Member Functions
int	count_atoms (pose::Pose const &pose) const

Private Attributes
PQROP	pqr
APBSConfigOP	config
APBSResultOP	result

Detailed Description

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APBS wrapper

Definition at line 36 of file APBSWrapper.hh.

Constructor & Destructor Documentation

core::scoring::APBSWrapper::APBSWrapper	(	pose::Pose const &	pose,
		std::map< std::string, bool > const &	charged_residues,
		int	dbg,
		bool	calcenergy
	)

Definition at line 46 of file APBSWrapper.cc.

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

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

virtual

Definition at line 42 of file APBSWrapper.cc.

Member Function Documentation

int core::scoring::APBSWrapper::count_atoms ( pose::Pose const &  pose) const

private

Definition at line 129 of file APBSWrapper.cc.

References core::pose::Pose::residue(), and core::pose::Pose::total_residue().

Referenced by APBSWrapper().

APBSResultCOP core::scoring::APBSWrapper::exec

(

)

Definition at line 69 of file APBSWrapper.cc.

References config, pqr, and result.

Member Data Documentation

APBSConfigOP core::scoring::APBSWrapper::config

private

Definition at line 39 of file APBSWrapper.hh.

Referenced by APBSWrapper(), and exec().

PQROP core::scoring::APBSWrapper::pqr

private

Definition at line 38 of file APBSWrapper.hh.

Referenced by APBSWrapper(), and exec().

APBSResultOP core::scoring::APBSWrapper::result

private

Definition at line 40 of file APBSWrapper.hh.

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