BALL::AromaticRingStacking Class Reference

#include <BALL/SCORING/COMPONENTS/aromaticRingStacking.h>

Inheritance diagram for BALL::AromaticRingStacking:

Classes
struct	Default
struct	Option

Public Member Functions
	AromaticRingStacking ()
	AromaticRingStacking (ScoringFunction &sf)
	AromaticRingStacking (const AromaticRingStacking &ars)
	~AromaticRingStacking ()
virtual bool	setup ()
virtual double	calculateScore ()
Public Member Functions inherited from BALL::ScoringComponent
	ScoringComponent ()
	ScoringComponent (const ScoringComponent &sc)
	ScoringComponent (ScoringFunction &sf)
virtual	~ScoringComponent ()
virtual void	clear ()
ScoringFunction *	getScoringFunction () const
void	setScoringFunction (ScoringFunction &sf)
String	getName () const
void	setName (const String &name)
virtual double	getScore () const

Private Attributes
std::vector< std::pair< const CHPI::AromaticRing *, const CHPI::AromaticRing * > >	possible_interactions_
std::vector< CHPI::AromaticRing >	receptor_rings_
std::vector< CHPI::AromaticRing >	ligand_rings_
float	f2f_plane_distance_lower_
float	f2f_plane_distance_upper_
float	f2f_lateral_displacemant_lower_
float	f2f_lateral_displacemant_upper_
float	f2e_center_distance_lower_
float	f2e_center_distance_upper_
float	angle_tolerance_
float	scoring_tolerance_

Additional Inherited Members
Protected Attributes inherited from BALL::ScoringComponent
ScoringFunction *	scoring_function_
double	score_

Detailed Description

Definition at line 20 of file aromaticRingStacking.h.

Constructor & Destructor Documentation

BALL::AromaticRingStacking::AromaticRingStacking

(

)

BALL::AromaticRingStacking::AromaticRingStacking

(

ScoringFunction &

sf

)

BALL::AromaticRingStacking::AromaticRingStacking

(

const AromaticRingStacking &

ars

)

BALL::AromaticRingStacking::~AromaticRingStacking

(

)

Member Function Documentation

virtual double BALL::AromaticRingStacking::calculateScore ( )

virtual

Reimplemented from BALL::ScoringComponent.

virtual bool BALL::AromaticRingStacking::setup ( )

virtual

Reimplemented from BALL::ScoringComponent.

Member Data Documentation

float BALL::AromaticRingStacking::angle_tolerance_

private

Definition at line 92 of file aromaticRingStacking.h.

float BALL::AromaticRingStacking::f2e_center_distance_lower_

private

Definition at line 88 of file aromaticRingStacking.h.

float BALL::AromaticRingStacking::f2e_center_distance_upper_

private

Definition at line 89 of file aromaticRingStacking.h.

float BALL::AromaticRingStacking::f2f_lateral_displacemant_lower_

private

Definition at line 85 of file aromaticRingStacking.h.

float BALL::AromaticRingStacking::f2f_lateral_displacemant_upper_

private

Definition at line 86 of file aromaticRingStacking.h.

float BALL::AromaticRingStacking::f2f_plane_distance_lower_

private

Definition at line 83 of file aromaticRingStacking.h.

float BALL::AromaticRingStacking::f2f_plane_distance_upper_

private

Definition at line 84 of file aromaticRingStacking.h.

std::vector<CHPI::AromaticRing> BALL::AromaticRingStacking::ligand_rings_

private

Definition at line 81 of file aromaticRingStacking.h.

std::vector< std::pair<const CHPI::AromaticRing*, const CHPI::AromaticRing*> > BALL::AromaticRingStacking::possible_interactions_

private

Definition at line 77 of file aromaticRingStacking.h.

std::vector<CHPI::AromaticRing> BALL::AromaticRingStacking::receptor_rings_

private

Definition at line 79 of file aromaticRingStacking.h.

float BALL::AromaticRingStacking::scoring_tolerance_

private

Definition at line 96 of file aromaticRingStacking.h.