Package | Description |
---|---|
ambit2.descriptors.processors | |
ambit2.similarity.knn | |
ambit2.similarity.measure |
Modifier and Type | Method and Description |
---|---|
AtomEnvironmentList |
AtomEnvironmentGenerator.generateProperty(org.openscience.cdk.interfaces.IAtomContainer atomContainer) |
Modifier and Type | Method and Description |
---|---|
float |
AtomEnvironmentList.hellinger(AtomEnvironmentList hist)
Hellinger distance between two discrete probability distributions pi and qi.
|
Modifier and Type | Method and Description |
---|---|
protected AtomEnvironmentList |
NNAtomEnvironmentSimilarity.getSelectedAttributes(AtomEnvironmentList attributes) |
Modifier and Type | Method and Description |
---|---|
protected AtomEnvironmentList |
NNAtomEnvironmentSimilarity.getSelectedAttributes(AtomEnvironmentList attributes) |
Constructor and Description |
---|
NNAtomEnvironmentSimilarity(IDistanceFunction<AtomEnvironmentList> distanceFunction,
int knn) |
Modifier and Type | Method and Description |
---|---|
float |
AtomEnvironmentsDistance.getDistance(AtomEnvironmentList object1,
AtomEnvironmentList object2)
Calls
hellinger(AtomEnvironmentList) and divides on 2 to
get it in (0,1) range. |
float |
AtomEnvironmentsDistance.getNativeComparison(AtomEnvironmentList object1,
AtomEnvironmentList object2) |
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