NonpolarSolvation Class Reference

SLICK nonpolar solvation component. More...

#include <nonpolarSolvation.h>

List of all members.

Public Types
enum	CalculationMethod {   CALCULATION__NONE, CALCULATION__UHLIG, CALCULATION__PCM, CALCULATION__VDW_SOLVENT,   CALCULATION__VDW_INTERACTION }
Public Member Functions
Constructors and Destructors
	NonpolarSolvation () throw ()
	Default constructor.
	NonpolarSolvation (ScoringFunction &sf) throw ()
	Constructor.
	NonpolarSolvation (const NonpolarSolvation &fhb) throw ()
	Copy constructor.
virtual	~NonpolarSolvation () throw ()
	Destructor.
Assignment
const NonpolarSolvation &	operator= (const NonpolarSolvation &fr) throw ()
	Assignment.
virtual void	clear () throw ()
	Clear method.
Predicates.
bool	operator== (const NonpolarSolvation &fr) const throw ()
Setup Methods
virtual bool	setup () throw ()
	Setup method.
Accessors
virtual double	calculateScore () throw ()
	Calculates and returns the component's energy.

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Detailed Description

SLICK nonpolar solvation component.

{ Definition:} {BALL/SORING/COMMON/nonpolarSolvation.h}

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Constructor & Destructor Documentation

NonpolarSolvation::NonpolarSolvation (   )  throw ()

Default constructor.

NonpolarSolvation::NonpolarSolvation (  ScoringFunction &  sf  )  throw ()

Constructor.

virtual NonpolarSolvation::~NonpolarSolvation (   )  throw () [virtual]

Destructor.

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Member Function Documentation

virtual double NonpolarSolvation::calculateScore (   )  throw () [virtual]

Calculates and returns the component's energy.

virtual void NonpolarSolvation::clear (   )  throw () [virtual]

Clear method.

const NonpolarSolvation& NonpolarSolvation::operator= (  const NonpolarSolvation &  fr  )  throw ()

Assignment.

virtual bool NonpolarSolvation::setup (   )  throw () [virtual]

Setup method.