BALL::SLICKScore Class Reference

#include <BALL/SCORING/FUNCTIONS/slickScore.h>

Inheritance diagram for BALL::SLICKScore:

[legend]

List of all members.

Classes
struct	Default
struct	Option
Public Member Functions
Constructors and Destructors
	SLICKScore ()
	SLICKScore (Molecule &protein, Molecule &ligand)
	SLICKScore (Molecule &protein, Molecule &ligand, const Options &options)
	SLICKScore (const SLICKScore &slick)
virtual	~SLICKScore ()
Assignment
const SLICKScore &	operator= (const SLICKScore &slick)
virtual void	clear ()
Setup Methods
virtual bool	specificSetup () throw ()
Accessors specific to the SLICKScore scoring function
double	getVDWScore () const
double	getCHPIScore () const
double	getPolarSolvationScore () const
double	getNonpolarSolvationScore () const
double	getHydrogenBondScore () const
Private Member Functions
void	registerComponents_ ()

---

Detailed Description

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

Definition at line 27 of file slickScore.h.

---

Constructor & Destructor Documentation

BALL::SLICKScore::SLICKScore

(

)

Default constructor.

BALL::SLICKScore::SLICKScore	(	Molecule &	protein,
		Molecule &	ligand
	)

Construct a SLICKScore with pointers to protein and ligand

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

Construct a SLICKScore with options.

BALL::SLICKScore::SLICKScore

(

const SLICKScore &

slick

)

Copy constructor

virtual BALL::SLICKScore::~SLICKScore

(

)

[virtual]

Destructor

---

Member Function Documentation

virtual void BALL::SLICKScore::clear

(

)

[virtual]

Clear method.

Reimplemented from BALL::ScoringFunction.

double BALL::SLICKScore::getCHPIScore

(

)

const

double BALL::SLICKScore::getHydrogenBondScore

(

)

const

double BALL::SLICKScore::getNonpolarSolvationScore

(

)

const

double BALL::SLICKScore::getPolarSolvationScore

(

)

const

double BALL::SLICKScore::getVDWScore

(

)

const

const SLICKScore& BALL::SLICKScore::operator=

(

const SLICKScore &

slick

)

Assignment operator.

void BALL::SLICKScore::registerComponents_

(

)

[private]

virtual bool BALL::SLICKScore::specificSetup

(

)

throw () [virtual]

Force field specific setup

Reimplemented from BALL::ScoringFunction.