BALL::CHPI Class Reference

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

Inheritance diagram for BALL::CHPI:

List of all members.

Classes
class	AromaticRing
class	CHGroup
struct	Default
struct	Option
Public Member Functions
Constructors and Destructors
virtual	~CHPI ()
Assignment
const CHPI &	operator= (const CHPI &chpi)
virtual void	clear ()
Predicates.
bool	operator== (const CHPI &chpi) const
Setup Methods
Options	options
std::vector< std::pair< const AromaticRing *, const CHGroup * > >	possible_interactions_
std::vector< CHGroup >	all_CH_groups_
std::vector< AromaticRing >	all_aromatic_rings_
float	CX_distance_upper_
float	CHX_angle_lower_
float	HX_projected_distance_lower_
float	HX_projected_distance_upper_
float	distance_tolerance_
float	angle_tolerance_
float	limit_
Size	verbosity_
bool	write_interactions_file_
virtual bool	setup ()
virtual double	calculateScore ()

---

Detailed Description

SLICK ringstacking component. { Definition:} {BALL/SCORING/COMPONENTS/CHPI.h}

---

Constructor & Destructor Documentation

virtual BALL::CHPI::~CHPI

(

)

[virtual]

Default constructor. Constructor. Copy constructor Destructor.

---

Member Function Documentation

virtual double BALL::CHPI::calculateScore

(

)

[virtual]

Reimplemented from BALL::ScoringComponent.

virtual void BALL::CHPI::clear

(

)

[virtual]

Clear method.

Reimplemented from BALL::ScoringComponent.

const CHPI& BALL::CHPI::operator=

(

const CHPI &

chpi

)

Assignment.

bool BALL::CHPI::operator==

(

const CHPI &

chpi

)

const

virtual bool BALL::CHPI::setup

(

)

[virtual]

Setup method.

Reimplemented from BALL::ScoringComponent.

---

Member Data Documentation

std::vector<AromaticRing> BALL::CHPI::all_aromatic_rings_ [private]

std::vector<CHGroup> BALL::CHPI::all_CH_groups_ [private]

float BALL::CHPI::angle_tolerance_ [private]

float BALL::CHPI::CHX_angle_lower_ [private]

float BALL::CHPI::CX_distance_upper_ [private]

float BALL::CHPI::distance_tolerance_ [private]

float BALL::CHPI::HX_projected_distance_lower_ [private]

float BALL::CHPI::HX_projected_distance_upper_ [private]

float BALL::CHPI::limit_ [private]

Options BALL::CHPI::options

std::vector< std::pair<const AromaticRing*, const CHGroup*> > BALL::CHPI::possible_interactions_ [private]

Size BALL::CHPI::verbosity_ [private]

bool BALL::CHPI::write_interactions_file_ [private]