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

ParallelPiPiInteractionConstraint. More...

+ Inheritance diagram for CDPL.Pharm.ParallelPiPiInteractionConstraint:

Public Member Functions

None __init__ (ParallelPiPiInteractionConstraint constr)
 Initializes a copy of the ParallelPiPiInteractionConstraint instance constr. More...
 
None __init__ (float min_v_dist=3.0, float max_v_dist=5.5, float max_h_dist=2.8, float max_ang=30.0)
 Constructs a ParallelPiPiInteractionConstraint functor with the specified constraints. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
float getMinVDistance ()
 
float getMaxVDistance ()
 
float getMaxHDistance ()
 
float getMaxAngle ()
 
ParallelPiPiInteractionConstraint assign (ParallelPiPiInteractionConstraint constr)
 Replaces the current state of self with a copy of the state of the ParallelPiPiInteractionConstraint instance constr. More...
 
bool __call__ (Feature ftr1, Feature ftr2)
 

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 = 30.0
 

Properties

 objectID = property(getObjectID)
 
 minVDistance = property(getMinVDistance)
 
 maxVDistance = property(getMaxVDistance)
 
 maxHDistance = property(getMaxHDistance)
 
 maxAngle = property(getMaxAngle)
 

Detailed Description

ParallelPiPiInteractionConstraint.

Constructor & Destructor Documentation

◆ __init__() [1/2]

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

Initializes a copy of the ParallelPiPiInteractionConstraint instance constr.

Parameters
constrThe ParallelPiPiInteractionConstraint instance to copy.

◆ __init__() [2/2]

None CDPL.Pharm.ParallelPiPiInteractionConstraint.__init__ ( float   min_v_dist = 3.0,
float   max_v_dist = 5.5,
float   max_h_dist = 2.8,
float   max_ang = 30.0 
)

Constructs a ParallelPiPiInteractionConstraint functor with the specified constraints.

Parameters
min_v_distThe minimum allowed distance of the two feature-positions orthogonal to the ring-planes.
max_v_distThe maximum allowed distance of the two feature-positions orthogonal to the ring-planes.
max_h_distThe maximum allowed distance of the feature-position along the their ring-planes.
max_angThe maximum allowed angle deviation from 0° of the two ring-plane orientation vectors.

Member Function Documentation

◆ getObjectID()

int CDPL.Pharm.ParallelPiPiInteractionConstraint.getObjectID ( )

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

Different Python ParallelPiPiInteractionConstraint 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 ParallelPiPiInteractionConstraint 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.

◆ getMinVDistance()

float CDPL.Pharm.ParallelPiPiInteractionConstraint.getMinVDistance ( )
Returns

◆ getMaxVDistance()

float CDPL.Pharm.ParallelPiPiInteractionConstraint.getMaxVDistance ( )
Returns

◆ getMaxHDistance()

float CDPL.Pharm.ParallelPiPiInteractionConstraint.getMaxHDistance ( )
Returns

◆ getMaxAngle()

float CDPL.Pharm.ParallelPiPiInteractionConstraint.getMaxAngle ( )
Returns

◆ assign()

ParallelPiPiInteractionConstraint CDPL.Pharm.ParallelPiPiInteractionConstraint.assign ( ParallelPiPiInteractionConstraint  constr)

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

Parameters
constrThe ParallelPiPiInteractionConstraint instance to copy.
Returns
self

◆ __call__()

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