Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Static Public Attributes | Properties | List of all members
CDPL.Pharm.OrthogonalPiPiInteractionConstraint Class Reference

OrthogonalPiPiInteractionConstraint. More...

+ Inheritance diagram for CDPL.Pharm.OrthogonalPiPiInteractionConstraint:

Public Member Functions

None __init__ (OrthogonalPiPiInteractionConstraint constr)
 Initializes a copy of the OrthogonalPiPiInteractionConstraint instance constr. More...
 
None __init__ (float min_h_dist=4.0, float max_h_dist=6.0, float max_v_dist=1.4, float max_ang=30.0)
 Constructs a OrthogonalPiPiInteractionConstraint functor with the specified constraints. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
float getMinHDistance ()
 
float getMaxHDistance ()
 
float getMaxVDistance ()
 
float getMaxAngle ()
 
OrthogonalPiPiInteractionConstraint assign (OrthogonalPiPiInteractionConstraint constr)
 Replaces the current state of self with a copy of the state of the OrthogonalPiPiInteractionConstraint instance constr. More...
 
bool __call__ (Feature ftr1, Feature ftr2)
 

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 = 30.0
 

Properties

 objectID = property(getObjectID)
 
 minHDistance = property(getMinHDistance)
 
 maxHDistance = property(getMaxHDistance)
 
 maxVDistance = property(getMaxVDistance)
 
 maxAngle = property(getMaxAngle)
 

Detailed Description

OrthogonalPiPiInteractionConstraint.

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Pharm.OrthogonalPiPiInteractionConstraint.__init__ ( OrthogonalPiPiInteractionConstraint  constr)

Initializes a copy of the OrthogonalPiPiInteractionConstraint instance constr.

Parameters
constrThe OrthogonalPiPiInteractionConstraint instance to copy.

◆ __init__() [2/2]

None CDPL.Pharm.OrthogonalPiPiInteractionConstraint.__init__ ( float   min_h_dist = 4.0,
float   max_h_dist = 6.0,
float   max_v_dist = 1.4,
float   max_ang = 30.0 
)

Constructs a OrthogonalPiPiInteractionConstraint functor with the specified constraints.

Parameters
min_h_distThe minimum allowed aromatic ring center distance in the plane of the vertically oriented ring.
max_h_distThe maximum allowed aromatic ring center distance in the plane of the vertically oriented ring.
max_v_distThe maximum allowed distance distance of the center of the horizontally oriented aromatic ring to the plane of the vertically oriented ring.
max_angThe maximum allowed angle deviation from 90° of the two ring-plane orientation vectors.

Member Function Documentation

◆ getObjectID()

int CDPL.Pharm.OrthogonalPiPiInteractionConstraint.getObjectID ( )

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python OrthogonalPiPiInteractionConstraint instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two OrthogonalPiPiInteractionConstraint instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns
The numeric ID of the internally referenced C++ class instance.

◆ getMinHDistance()

float CDPL.Pharm.OrthogonalPiPiInteractionConstraint.getMinHDistance ( )
Returns

◆ getMaxHDistance()

float CDPL.Pharm.OrthogonalPiPiInteractionConstraint.getMaxHDistance ( )
Returns

◆ getMaxVDistance()

float CDPL.Pharm.OrthogonalPiPiInteractionConstraint.getMaxVDistance ( )
Returns

◆ getMaxAngle()

float CDPL.Pharm.OrthogonalPiPiInteractionConstraint.getMaxAngle ( )
Returns

◆ assign()

OrthogonalPiPiInteractionConstraint CDPL.Pharm.OrthogonalPiPiInteractionConstraint.assign ( OrthogonalPiPiInteractionConstraint  constr)

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

Parameters
constrThe OrthogonalPiPiInteractionConstraint instance to copy.
Returns
self

◆ __call__()

bool CDPL.Pharm.OrthogonalPiPiInteractionConstraint.__call__ ( Feature  ftr1,
Feature  ftr2 
)
Parameters
ftr1
ftr2
Returns