BALL  1.4.1
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Classes | Private Member Functions
BALL::SLICKScore Class Reference

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

Inheritance diagram for BALL::SLICKScore:
BALL::ScoringFunction

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 SLICKScoreoperator= (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

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.

Copy constructor

virtual BALL::SLICKScore::~SLICKScore ( ) [virtual]

Destructor


Member Function Documentation

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

Clear method.

Reimplemented from BALL::ScoringFunction.

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

Assignment operator.

virtual bool BALL::SLICKScore::specificSetup ( ) throw () [virtual]

Force field specific setup

Reimplemented from BALL::ScoringFunction.

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