Chemical Data Processing Library Python API - Version 1.2.0
Classes | Public Member Functions | Static Public Attributes | Properties | List of all members
CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator Class Reference

NPoint2DPharmacophoreFingerprintGenerator. More...

+ Inheritance diagram for CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator:

Classes

class  FeatureDistanceType
 

Public Member Functions

None __init__ ()
 Initializes the NPoint2DPharmacophoreFingerprintGenerator instance.
 
None __init__ (Chem.MolecularGraph molgraph, Util.BitSet fp)
 Initializes the NPoint2DPharmacophoreFingerprintGenerator instance. More...
 
None __init__ (NPoint2DPharmacophoreFingerprintGenerator gen)
 Initializes a copy of the NPoint2DPharmacophoreFingerprintGenerator instance gen. More...
 
NPoint2DPharmacophoreFingerprintGenerator assign (NPoint2DPharmacophoreFingerprintGenerator gen)
 Replaces the current state of self with a copy of the state of the NPoint2DPharmacophoreFingerprintGenerator instance gen. More...
 
None setFeatureDistanceType (FeatureDistanceType dist_type)
 
FeatureDistanceType getFeatureDistanceType ()
 
None generate (Chem.MolecularGraph molgraph, Util.BitSet fp)
 
- Public Member Functions inherited from CDPL.Descr.NPointPharmacophoreFingerprintGenerator
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
NPointPharmacophoreFingerprintGenerator assign (NPointPharmacophoreFingerprintGenerator gen)
 Replaces the current state of self with a copy of the state of the NPointPharmacophoreFingerprintGenerator instance gen. More...
 
None setMinFeatureTupleSize (int min_size)
 
int getMinFeatureTupleSize ()
 
None setMaxFeatureTupleSize (int max_size)
 
int getMaxFeatureTupleSize ()
 
None setBinSize (float bin_size)
 
float getBinSize ()
 
Pharm.PharmacophoreGenerator getPharmacophoreGenerator ()
 

Static Public Attributes

 DEF_FEATURE_DISTANCE_TYPE =
 
- Static Public Attributes inherited from CDPL.Descr.NPointPharmacophoreFingerprintGenerator
int DEF_MIN_FEATURE_TUPLE_SIZE = 1
 
int DEF_MAX_FEATURE_TUPLE_SIZE = 3
 
float DEF_BIN_SIZE = 0.5
 

Properties

 featureDistanceType = property(getFeatureDistanceType, setFeatureDistanceType)
 
- Properties inherited from CDPL.Descr.NPointPharmacophoreFingerprintGenerator
 objectID = property(getObjectID)
 
 minFeatureTupleSize = property(getMinFeatureTupleSize, setMinFeatureTupleSize)
 
 maxFeatureTupleSize = property(getMaxFeatureTupleSize, setMaxFeatureTupleSize)
 
 binSize = property(getBinSize, setBinSize)
 
 pharmGenerator = property(getPharmGenerator)
 FIXME!
 

Detailed Description

NPoint2DPharmacophoreFingerprintGenerator.

Since
1.2

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.__init__ ( Chem.MolecularGraph  molgraph,
Util.BitSet  fp 
)

Initializes the NPoint2DPharmacophoreFingerprintGenerator instance.

Parameters
molgraph
fp

◆ __init__() [2/2]

None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.__init__ ( NPoint2DPharmacophoreFingerprintGenerator  gen)

Initializes a copy of the NPoint2DPharmacophoreFingerprintGenerator instance gen.

Parameters
genThe NPoint2DPharmacophoreFingerprintGenerator instance to copy.

Member Function Documentation

◆ assign()

NPoint2DPharmacophoreFingerprintGenerator CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.assign ( NPoint2DPharmacophoreFingerprintGenerator  gen)

Replaces the current state of self with a copy of the state of the NPoint2DPharmacophoreFingerprintGenerator instance gen.

Parameters
genThe NPoint2DPharmacophoreFingerprintGenerator instance to copy.
Returns
self

◆ setFeatureDistanceType()

None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.setFeatureDistanceType ( FeatureDistanceType  dist_type)
Parameters
dist_type

◆ getFeatureDistanceType()

FeatureDistanceType CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.getFeatureDistanceType ( )
Returns

◆ generate()

None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.generate ( Chem.MolecularGraph  molgraph,
Util.BitSet  fp 
)
Parameters
molgraph
fp