SLICKScore Class Reference

SLICKEnergy scoring function { Definition:} {BALL/SCORING/FUNCTIONS/slickScore.h}. More...

#include <slickScore.h>

List of all members.

Public Member Functions
Constructors and Destructors
	SLICKScore () throw ()
	Default constructor.
	SLICKScore (Molecule &protein, Molecule &ligand) throw ()
	Construct a SLICKScore with pointers to protein and ligand.
	SLICKScore (Molecule &protein, Molecule &ligand, const Options &options) throw ()
	Construct a SLICKScore with options.
	SLICKScore (const SLICKScore &slick) throw ()
	Copy constructor.
virtual	~SLICKScore () throw ()
	Destructor.
Assignment
const SLICKScore &	operator= (const SLICKScore &slick) throw ()
	Assignment operator.
virtual void	clear () throw ()
	Clear method.
Setup Methods
virtual bool	specificSetup () throw ()
	Force field specific setup.
Accessors specific to the SLICKScore scoring function
double	getVDWScore () const throw ()
double	getCHPIScore () const throw ()
double	getPolarSolvationScore () const throw ()
double	getNonpolarSolvationScore () const throw ()
double	getHydrogenBondScore () const throw ()

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Detailed Description

SLICKEnergy scoring function { Definition:} {BALL/SCORING/FUNCTIONS/slickScore.h}.

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Constructor & Destructor Documentation

SLICKScore::SLICKScore (   )  throw ()

Default constructor.

SLICKScore::SLICKScore (  Molecule &  protein, Molecule &  ligand, const Options &  options )  throw ()

Construct a SLICKScore with options.

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Member Function Documentation

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

Clear method.

const SLICKScore& SLICKScore::operator= (  const SLICKScore &  slick  )  throw ()

Assignment operator.