CDPL.Pharm.ParallelPiPiInteractionScore Class Reference

ParallelPiPiInteractionScore. More...

Inheritance diagram for CDPL.Pharm.ParallelPiPiInteractionScore:

Public Member Functions
None	__init__ (ParallelPiPiInteractionScore score)
	Initializes a copy of the ParallelPiPiInteractionScore instance score. More...
None	__init__ (float min_v_dist=3.0, float max_v_dist=5.5, float max_h_dist=2.8, float max_ang=20.0)
	Constructs a ParallelPiPiInteractionScore functor with the specified constraints. More...
None	setDistanceScoringFunction (DoubleDoubleFunctor func)
None	setAngleScoringFunction (DoubleDoubleFunctor func)
float	getMinVDistance ()
float	getMaxVDistance ()
float	getMaxHDistance ()
float	getMaxAngle ()
ParallelPiPiInteractionScore	assign (ParallelPiPiInteractionScore constr)
	Replaces the current state of self with a copy of the state of the ParallelPiPiInteractionScore 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_V_DISTANCE = 3.0
float	DEF_MAX_V_DISTANCE = 5.5
float	DEF_MAX_H_DISTANCE = 2.8
float	DEF_MAX_ANGLE = 20.0

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

Detailed Description

ParallelPiPiInteractionScore.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Pharm.ParallelPiPiInteractionScore.__init__

(

ParallelPiPiInteractionScore

score

)

Initializes a copy of the ParallelPiPiInteractionScore instance score.

Parameters

score

The ParallelPiPiInteractionScore instance to copy.

__init__() [2/2]

None CDPL.Pharm.ParallelPiPiInteractionScore.__init__	(	float	min_v_dist = 3.0,
		float	max_v_dist = 5.5,
		float	max_h_dist = 2.8,
		float	max_ang = 20.0
	)

Constructs a ParallelPiPiInteractionScore functor with the specified constraints.

Parameters

min_v_dist	The minimum allowed distance of the two feature-positions orthogonal to the ring-planes.
max_v_dist	The maximum allowed distance of the two feature-positions orthogonal to the ring-planes.
max_h_dist	The maximum allowed distance of the feature-position along the their ring-planes.
max_ang	The maximum allowed angle deviation from 0° of the two ring-plane orientation vectors.

Member Function Documentation

setDistanceScoringFunction()

None CDPL.Pharm.ParallelPiPiInteractionScore.setDistanceScoringFunction

(

DoubleDoubleFunctor

func

)

Parameters

func

setAngleScoringFunction()

None CDPL.Pharm.ParallelPiPiInteractionScore.setAngleScoringFunction

(

DoubleDoubleFunctor

func

)

Parameters

func

getMinVDistance()

float CDPL.Pharm.ParallelPiPiInteractionScore.getMinVDistance

(

)

Returns

getMaxVDistance()

float CDPL.Pharm.ParallelPiPiInteractionScore.getMaxVDistance

(

)

Returns

getMaxHDistance()

float CDPL.Pharm.ParallelPiPiInteractionScore.getMaxHDistance

(

)

Returns

getMaxAngle()

float CDPL.Pharm.ParallelPiPiInteractionScore.getMaxAngle

(

)

Returns

assign()

ParallelPiPiInteractionScore CDPL.Pharm.ParallelPiPiInteractionScore.assign

(

ParallelPiPiInteractionScore

constr

)

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

Parameters

constr

The ParallelPiPiInteractionScore instance to copy.

Returns

self