BALL::AromaticRingStacking Class Reference

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

Inheritance diagram for BALL::AromaticRingStacking:

[legend]

List of all members.

Classes
struct	Default
struct	Option
Public Member Functions
	AromaticRingStacking ()
	AromaticRingStacking (ScoringFunction &sf)
	AromaticRingStacking (const AromaticRingStacking &ars)
	~AromaticRingStacking ()
virtual bool	setup ()
virtual double	calculateScore ()
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_

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Detailed Description

Definition at line 20 of file aromaticRingStacking.h.

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Constructor & Destructor Documentation

BALL::AromaticRingStacking::AromaticRingStacking

(

)

BALL::AromaticRingStacking::AromaticRingStacking

(

ScoringFunction &

sf

)

BALL::AromaticRingStacking::AromaticRingStacking

(

const AromaticRingStacking &

ars

)

BALL::AromaticRingStacking::~AromaticRingStacking

(

)

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Member Function Documentation

virtual double BALL::AromaticRingStacking::calculateScore

(

)

[virtual]

Reimplemented from BALL::ScoringComponent.

virtual bool BALL::AromaticRingStacking::setup

(

)

[virtual]

Reimplemented from BALL::ScoringComponent.

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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.