Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Properties | List of all members
CDPL.Descr.FeatureRDFCodeCalculator Class Reference

FeatureRDFCodeCalculator. More...

+ Inheritance diagram for CDPL.Descr.FeatureRDFCodeCalculator:

Public Member Functions

None __init__ ()
 Constructs the FeatureRDFCodeCalculator instance.
 
None __init__ (FeatureRDFCodeCalculator calc)
 Initializes a copy of the FeatureRDFCodeCalculator instance calc. More...
 
None __init__ (Pharm.FeatureContainer cntnr, Math.DVector rdf_code)
 Initializes the FeatureRDFCodeCalculator instance. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
FeatureRDFCodeCalculator assign (FeatureRDFCodeCalculator calc)
 Replaces the current state of self with a copy of the state of the FeatureRDFCodeCalculator instance calc. More...
 
None setEntityPairWeightFunction (Pharm.DoubleFeature2Functor func)
 
None setEntity3DCoordinatesFunction (Pharm.Feature3DCoordinatesFunction func)
 
None setNumSteps (int num_steps)
 
int getNumSteps ()
 
None setRadiusIncrement (float radius_inc)
 
float getRadiusIncrement ()
 
None setStartRadius (float start_radius)
 
float getStartRadius ()
 
None setSmoothingFactor (float factor)
 
float getSmoothingFactor ()
 
None setScalingFactor (float factor)
 
float getScalingFactor ()
 
None enableDistanceToIntervalCenterRounding (bool enable)
 
bool distanceToIntervalsCenterRoundingEnabled ()
 
None calculate (Pharm.FeatureContainer cntnr, Math.DVector rdf_code)
 

Properties

 objectID = property(getObjectID)
 
 distanceToIntervalCenterRounding = property(distanceToIntervalsCenterRoundingEnabled, enableDistanceToIntervalCenterRounding)
 
 smoothingFactor = property(getSmoothingFactor, setSmoothingFactor)
 
 scalingFactor = property(getScalingFactor, setScalingFactor)
 
 startRadius = property(getStartRadius, setStartRadius)
 
 radiusIncrement = property(getRadiusIncrement, setRadiusIncrement)
 
 numSteps = property(getNumSteps, setNumSteps)
 

Detailed Description

FeatureRDFCodeCalculator.

See also
[CITB, HBMD]

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Descr.FeatureRDFCodeCalculator.__init__ ( FeatureRDFCodeCalculator  calc)

Initializes a copy of the FeatureRDFCodeCalculator instance calc.

Parameters
calcThe FeatureRDFCodeCalculator instance to copy.

◆ __init__() [2/2]

None CDPL.Descr.FeatureRDFCodeCalculator.__init__ ( Pharm.FeatureContainer  cntnr,
Math.DVector  rdf_code 
)

Initializes the FeatureRDFCodeCalculator instance.

Parameters
cntnr
rdf_code

Member Function Documentation

◆ getObjectID()

int CDPL.Descr.FeatureRDFCodeCalculator.getObjectID ( )

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

Different Python FeatureRDFCodeCalculator 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 FeatureRDFCodeCalculator 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.

◆ assign()

FeatureRDFCodeCalculator CDPL.Descr.FeatureRDFCodeCalculator.assign ( FeatureRDFCodeCalculator  calc)

Replaces the current state of self with a copy of the state of the FeatureRDFCodeCalculator instance calc.

Parameters
calcThe FeatureRDFCodeCalculator instance to copy.
Returns
self

◆ setEntityPairWeightFunction()

None CDPL.Descr.FeatureRDFCodeCalculator.setEntityPairWeightFunction ( Pharm.DoubleFeature2Functor  func)
Parameters
func

◆ setEntity3DCoordinatesFunction()

None CDPL.Descr.FeatureRDFCodeCalculator.setEntity3DCoordinatesFunction ( Pharm.Feature3DCoordinatesFunction  func)
Parameters
func

◆ setNumSteps()

None CDPL.Descr.FeatureRDFCodeCalculator.setNumSteps ( int  num_steps)
Parameters
num_steps

◆ getNumSteps()

int CDPL.Descr.FeatureRDFCodeCalculator.getNumSteps ( )
Returns

◆ setRadiusIncrement()

None CDPL.Descr.FeatureRDFCodeCalculator.setRadiusIncrement ( float  radius_inc)
Parameters
radius_inc

◆ getRadiusIncrement()

float CDPL.Descr.FeatureRDFCodeCalculator.getRadiusIncrement ( )
Returns

◆ setStartRadius()

None CDPL.Descr.FeatureRDFCodeCalculator.setStartRadius ( float  start_radius)
Parameters
start_radius

◆ getStartRadius()

float CDPL.Descr.FeatureRDFCodeCalculator.getStartRadius ( )
Returns

◆ setSmoothingFactor()

None CDPL.Descr.FeatureRDFCodeCalculator.setSmoothingFactor ( float  factor)
Parameters
factor

◆ getSmoothingFactor()

float CDPL.Descr.FeatureRDFCodeCalculator.getSmoothingFactor ( )
Returns

◆ setScalingFactor()

None CDPL.Descr.FeatureRDFCodeCalculator.setScalingFactor ( float  factor)
Parameters
factor

◆ getScalingFactor()

float CDPL.Descr.FeatureRDFCodeCalculator.getScalingFactor ( )
Returns

◆ enableDistanceToIntervalCenterRounding()

None CDPL.Descr.FeatureRDFCodeCalculator.enableDistanceToIntervalCenterRounding ( bool  enable)
Parameters
enable

◆ distanceToIntervalsCenterRoundingEnabled()

bool CDPL.Descr.FeatureRDFCodeCalculator.distanceToIntervalsCenterRoundingEnabled ( )
Returns

◆ calculate()

None CDPL.Descr.FeatureRDFCodeCalculator.calculate ( Pharm.FeatureContainer  cntnr,
Math.DVector  rdf_code 
)
Parameters
cntnr
rdf_code