ambit2.descriptors.fingerprints

Class CircularFingerprintInterpretable

java.lang.Object

org.openscience.cdk.fingerprint.AbstractFingerprinter

org.openscience.cdk.fingerprint.CircularFingerprinter

ambit2.descriptors.fingerprints.CircularFingerprintInterpretable

All Implemented Interfaces:

ISparseFingerprint, org.openscience.cdk.fingerprint.IFingerprinter

public class CircularFingerprintInterpretable
extends org.openscience.cdk.fingerprint.CircularFingerprinter
implements ISparseFingerprint

Nested Class Summary

Nested classes/interfaces inherited from class org.openscience.cdk.fingerprint.CircularFingerprinter

org.openscience.cdk.fingerprint.CircularFingerprinter.FP

Field Summary

Fields inherited from class org.openscience.cdk.fingerprint.CircularFingerprinter

CLASS_ECFP0, CLASS_ECFP2, CLASS_ECFP4, CLASS_ECFP6, CLASS_FCFP0, CLASS_FCFP2, CLASS_FCFP4, CLASS_FCFP6

Constructor Summary

Constructors

Constructor and Description
CircularFingerprintInterpretable()

Method Summary

Modifier and Type	Method and Description
static String	fp2string(org.openscience.cdk.interfaces.IAtomContainer mol, org.openscience.cdk.fingerprint.CircularFingerprinter.FP fp, int count)
Map<String,Integer>	getRawFingerprint(org.openscience.cdk.interfaces.IAtomContainer mol)
Iterable<Object>	getSparseFingerprint(org.openscience.cdk.interfaces.IAtomContainer mol)

Methods inherited from class org.openscience.cdk.fingerprint.CircularFingerprinter

calculate, getBitFingerprint, getCountFingerprint, getFP, getFPCount, getParameters, getSize, setPerceiveStereo

Methods inherited from class org.openscience.cdk.fingerprint.AbstractFingerprinter

getFingerprint, getVersionDescription

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.openscience.cdk.fingerprint.IFingerprinter

getFingerprint, getVersionDescription

Constructor Detail

CircularFingerprintInterpretable

public CircularFingerprintInterpretable()

Method Detail

getRawFingerprint

public Map<String,Integer> getRawFingerprint(org.openscience.cdk.interfaces.IAtomContainer mol)
                                      throws org.openscience.cdk.exception.CDKException

Specified by:

getRawFingerprint in interface org.openscience.cdk.fingerprint.IFingerprinter

Overrides:

getRawFingerprint in class org.openscience.cdk.fingerprint.CircularFingerprinter

Throws:

org.openscience.cdk.exception.CDKException

fp2string

public static String fp2string(org.openscience.cdk.interfaces.IAtomContainer mol,
                               org.openscience.cdk.fingerprint.CircularFingerprinter.FP fp,
                               int count)

getSparseFingerprint

public Iterable<Object> getSparseFingerprint(org.openscience.cdk.interfaces.IAtomContainer mol)
                                      throws org.openscience.cdk.exception.CDKException

Specified by:

getSparseFingerprint in interface ISparseFingerprint

Throws:

org.openscience.cdk.exception.CDKException