CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator Class Reference

NPoint3DPharmacophoreFingerprintGenerator. More...

Inheritance diagram for CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator:

Public Member Functions
None	__init__ ()
	Initializes the NPoint3DPharmacophoreFingerprintGenerator instance.
None	__init__ (Chem.MolecularGraph molgraph, Util.BitSet fp)
	Initializes the NPoint3DPharmacophoreFingerprintGenerator instance. More...
None	__init__ (Pharm.Pharmacophore cntnr, Util.BitSet fp)
	Initializes the NPoint3DPharmacophoreFingerprintGenerator instance. More...
None	__init__ (NPoint3DPharmacophoreFingerprintGenerator gen)
	Initializes a copy of the NPoint3DPharmacophoreFingerprintGenerator instance gen. More...
NPoint3DPharmacophoreFingerprintGenerator	assign (NPoint3DPharmacophoreFingerprintGenerator gen)
	Replaces the current state of self with a copy of the state of the NPoint3DPharmacophoreFingerprintGenerator instance gen. More...
None	generate (Chem.MolecularGraph molgraph, Util.BitSet fp)
None	generate (Pharm.FeatureContainer cntnr, 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 ()

Additional Inherited Members
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 inherited from CDPL.Descr.NPointPharmacophoreFingerprintGenerator
	objectID = property(getObjectID)
	minFeatureTupleSize = property(getMinFeatureTupleSize, setMinFeatureTupleSize)
	maxFeatureTupleSize = property(getMaxFeatureTupleSize, setMaxFeatureTupleSize)
	binSize = property(getBinSize, setBinSize)
	pharmGenerator = property(getPharmacophoreGenerator)

Detailed Description

NPoint3DPharmacophoreFingerprintGenerator.

Since

1.2

Constructor & Destructor Documentation

__init__() [1/3]

None CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator.__init__	(	Chem.MolecularGraph	molgraph,
		Util.BitSet	fp
	)

Initializes the NPoint3DPharmacophoreFingerprintGenerator instance.

Parameters

molgraph
fp

__init__() [2/3]

None CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator.__init__	(	Pharm.Pharmacophore	cntnr,
		Util.BitSet	fp
	)

Initializes the NPoint3DPharmacophoreFingerprintGenerator instance.

Parameters

cntnr
fp

__init__() [3/3]

None CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator.__init__

(

NPoint3DPharmacophoreFingerprintGenerator

gen

)

Initializes a copy of the NPoint3DPharmacophoreFingerprintGenerator instance gen.

Parameters

gen	The NPoint3DPharmacophoreFingerprintGenerator instance to copy.

Member Function Documentation

assign()

NPoint3DPharmacophoreFingerprintGenerator CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator.assign

(

NPoint3DPharmacophoreFingerprintGenerator

gen

)

Replaces the current state of self with a copy of the state of the NPoint3DPharmacophoreFingerprintGenerator instance gen.

Parameters

gen	The NPoint3DPharmacophoreFingerprintGenerator instance to copy.

Returns

self

generate() [1/2]

None CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator.generate	(	Chem.MolecularGraph	molgraph,
		Util.BitSet	fp
	)

Parameters

molgraph
fp

generate() [2/2]

None CDPL.Descr.NPoint3DPharmacophoreFingerprintGenerator.generate	(	Pharm.FeatureContainer	cntnr,
		Util.BitSet	fp
	)

Parameters

cntnr
fp