CDPL.Pharm.OrthogonalPiPiInteractionScore Class Reference

OrthogonalPiPiInteractionScore. More...

Inheritance diagram for CDPL.Pharm.OrthogonalPiPiInteractionScore:

Public Member Functions
None	__init__ (OrthogonalPiPiInteractionScore score)
	Initializes a copy of the OrthogonalPiPiInteractionScore instance score. More...
None	__init__ (float min_h_dist=4.0, float max_h_dist=6.0, float max_v_dist=1.4, float max_ang=20.0)
	Constructs a OrthogonalPiPiInteractionScore functor with the specified constraints. More...
None	setDistanceScoringFunction (DoubleDoubleFunctor func)
None	setAngleScoringFunction (DoubleDoubleFunctor func)
float	getMinHDistance ()
float	getMaxHDistance ()
float	getMaxVDistance ()
float	getMaxAngle ()
OrthogonalPiPiInteractionScore	assign (OrthogonalPiPiInteractionScore constr)
	Replaces the current state of self with a copy of the state of the OrthogonalPiPiInteractionScore instance constr. More...
Public Member Functions inherited from CDPL.Pharm.FeatureInteractionScore
None	__init__ ()
	Initializes the FeatureInteractionScore instance.
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
float	__call__ (Feature arg2, Feature self)
float	__call__ (Math.Vector3D arg2, Feature self)

Static Public Attributes
float	DEF_MIN_H_DISTANCE = 4.0
float	DEF_MAX_H_DISTANCE = 6.0
float	DEF_MAX_V_DISTANCE = 1.4
float	DEF_MAX_ANGLE = 20.0

Properties
	minHDistance = property(getMinHDistance)
	maxHDistance = property(getMaxHDistance)
	maxVDistance = property(getMaxVDistance)
	maxAngle = property(getMaxAngle)
Properties inherited from CDPL.Pharm.FeatureInteractionScore
	objectID = property(getObjectID)

Detailed Description

OrthogonalPiPiInteractionScore.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Pharm.OrthogonalPiPiInteractionScore.__init__

(

OrthogonalPiPiInteractionScore

score

)

Initializes a copy of the OrthogonalPiPiInteractionScore instance score.

Parameters

score

The OrthogonalPiPiInteractionScore instance to copy.

__init__() [2/2]

None CDPL.Pharm.OrthogonalPiPiInteractionScore.__init__	(	float	min_h_dist = 4.0,
		float	max_h_dist = 6.0,
		float	max_v_dist = 1.4,
		float	max_ang = 20.0
	)

Constructs a OrthogonalPiPiInteractionScore functor with the specified constraints.

Parameters

min_h_dist	The minimum allowed aromatic ring center distance in the plane of the vertically oriented ring.
max_h_dist	The maximum allowed aromatic ring center distance in the plane of the vertically oriented ring.
max_v_dist	The maximum allowed distance distance of the center of the horizontally oriented aromatic ring to the plane of the vertically oriented ring.
max_ang	The maximum allowed angle deviation from 90° of the two ring-plane orientation vectors.

Member Function Documentation

setDistanceScoringFunction()

None CDPL.Pharm.OrthogonalPiPiInteractionScore.setDistanceScoringFunction

(

DoubleDoubleFunctor

func

)

Parameters

func

setAngleScoringFunction()

None CDPL.Pharm.OrthogonalPiPiInteractionScore.setAngleScoringFunction

(

DoubleDoubleFunctor

func

)

Parameters

func

getMinHDistance()

float CDPL.Pharm.OrthogonalPiPiInteractionScore.getMinHDistance

(

)

Returns

getMaxHDistance()

float CDPL.Pharm.OrthogonalPiPiInteractionScore.getMaxHDistance

(

)

Returns

getMaxVDistance()

float CDPL.Pharm.OrthogonalPiPiInteractionScore.getMaxVDistance

(

)

Returns

getMaxAngle()

float CDPL.Pharm.OrthogonalPiPiInteractionScore.getMaxAngle

(

)

Returns

assign()

OrthogonalPiPiInteractionScore CDPL.Pharm.OrthogonalPiPiInteractionScore.assign

(

OrthogonalPiPiInteractionScore

constr

)

Replaces the current state of self with a copy of the state of the OrthogonalPiPiInteractionScore instance constr.

Parameters

constr

The OrthogonalPiPiInteractionScore instance to copy.

Returns

self