Chemical Data Processing Library Python API - Version 1.2.0
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NPoint2DPharmacophoreFingerprintGenerator. More...
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! | |
None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.__init__ | ( | Chem.MolecularGraph | molgraph, |
Util.BitSet | fp | ||
) |
Initializes the NPoint2DPharmacophoreFingerprintGenerator instance.
molgraph | |
fp |
None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.__init__ | ( | NPoint2DPharmacophoreFingerprintGenerator | gen | ) |
Initializes a copy of the NPoint2DPharmacophoreFingerprintGenerator instance gen.
gen | The NPoint2DPharmacophoreFingerprintGenerator instance to copy. |
NPoint2DPharmacophoreFingerprintGenerator CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.assign | ( | NPoint2DPharmacophoreFingerprintGenerator | gen | ) |
Replaces the current state of self with a copy of the state of the NPoint2DPharmacophoreFingerprintGenerator instance gen.
gen | The NPoint2DPharmacophoreFingerprintGenerator instance to copy. |
None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.setFeatureDistanceType | ( | FeatureDistanceType | dist_type | ) |
dist_type |
FeatureDistanceType CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.getFeatureDistanceType | ( | ) |
None CDPL.Descr.NPoint2DPharmacophoreFingerprintGenerator.generate | ( | Chem.MolecularGraph | molgraph, |
Util.BitSet | fp | ||
) |
molgraph | |
fp |