BALL::SLICKEnergy Class Reference

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

#include <slickEnergy.h>

Inherits BALL::ScoringFunction.

List of all members.

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

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Detailed Description

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