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java.lang.Objectfingerprinters.EncodingFingerprint
fingerprinters.geometrical.Encoding3D
fingerprinters.geometrical.Encoding3DMolprint
public class Encoding3DMolprint
Constructor Summary | |
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Encoding3DMolprint()
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Method Summary | |
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java.util.List<IFeature> |
getFingerprint(org.openscience.cdk.interfaces.IAtomContainer molecule)
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java.lang.String |
getNameOfFingerPrinter()
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Methods inherited from class fingerprinters.geometrical.Encoding3D |
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computeDistanceMatrix, getDistanceCutoff, getStretchingFactor, setDistanceCutoff, setStretchingFactor |
Methods inherited from class fingerprinters.EncodingFingerprint |
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getAtomLabelType, getTyper, isHashable, setAtomLabelType |
Methods inherited from class java.lang.Object |
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equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
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public Encoding3DMolprint()
Method Detail |
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public java.util.List<IFeature> getFingerprint(org.openscience.cdk.interfaces.IAtomContainer molecule)
getFingerprint
in class EncodingFingerprint
public java.lang.String getNameOfFingerPrinter()
getNameOfFingerPrinter
in class EncodingFingerprint
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