public class PatternFingerprinter extends java.lang.Object implements java.lang.Cloneable, IPatternFingerprinter, java.lang.Comparable<IPatternFingerprinter>, java.util.Comparator<IPatternFingerprinter>, java.io.Serializable
Constructor and Description |
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PatternFingerprinter() |
PatternFingerprinter(java.util.Collection<IFeature> features) |
PatternFingerprinter(java.util.Collection<IFeature> features,
int fingerprintSize) |
PatternFingerprinter(int fingerprintSize) |
Modifier and Type | Method and Description |
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void |
add(IFeature feature) |
void |
add(IPatternFingerprinter fngp) |
void |
addBinary(java.util.BitSet fingerprint) |
IPatternFingerprinter |
clone() |
int |
compare(IPatternFingerprinter o1,
IPatternFingerprinter o2)
Returns 0 if two fingerprints are equal and if they share same labels it
returns difference in their weight
|
int |
compareTo(IPatternFingerprinter t)
Returns 0 if two fingerprints are equal and if they share same labels it
returns difference in their weight
|
boolean |
equals(java.lang.Object object)
Return true if two Fingerprints are equal
|
IFeature |
getFeature(int index) |
int |
getFeatureCount()
Number of unique features of this fingerprint
|
java.util.Collection<IFeature> |
getFeatures() |
java.lang.String |
getFingerprintID() |
int |
getFingerprintSize()
Size of the hashed fingerprint
|
java.util.BitSet |
getHashedFingerPrint() |
java.util.Collection<java.lang.Double> |
getValues() |
double[] |
getValuesAsArray() |
java.lang.Double |
getWeight(int index) |
java.lang.Double |
getWeight(java.lang.String pattern) |
double[] |
getWeightedHashedFingerPrint() |
boolean |
hasFeature(IFeature key) |
int |
hashCode() |
static IPatternFingerprinter |
makePatternFingerprint(java.util.Collection<java.lang.String> keyCollection,
java.util.Collection<java.lang.Double> valueCollection) |
static IPatternFingerprinter |
makePatternFingerprint(java.util.Map<java.lang.String,java.lang.Double> map) |
void |
setFingerprintID(java.lang.String fingerprintID) |
java.lang.String |
toString() |
public PatternFingerprinter()
public PatternFingerprinter(java.util.Collection<IFeature> features)
features
- public PatternFingerprinter(int fingerprintSize)
fingerprintSize
- public PatternFingerprinter(java.util.Collection<IFeature> features, int fingerprintSize)
features
- fingerprintSize
- public static IPatternFingerprinter makePatternFingerprint(java.util.Map<java.lang.String,java.lang.Double> map)
map
- public static IPatternFingerprinter makePatternFingerprint(java.util.Collection<java.lang.String> keyCollection, java.util.Collection<java.lang.Double> valueCollection)
keyCollection
- valueCollection
- public void addBinary(java.util.BitSet fingerprint) throws org.openscience.cdk.exception.CDKException
addBinary
in interface IPatternFingerprinter
fingerprint
- org.openscience.cdk.exception.CDKException
public void add(IFeature feature) throws org.openscience.cdk.exception.CDKException
add
in interface IPatternFingerprinter
org.openscience.cdk.exception.CDKException
public void add(IPatternFingerprinter fngp) throws org.openscience.cdk.exception.CDKException
add
in interface IPatternFingerprinter
fngp
- org.openscience.cdk.exception.CDKException
public double[] getValuesAsArray()
getValuesAsArray
in interface IPatternFingerprinter
public java.util.Collection<IFeature> getFeatures()
getFeatures
in interface IPatternFingerprinter
public java.util.Collection<java.lang.Double> getValues()
getValues
in interface IPatternFingerprinter
public int getFeatureCount()
IPatternFingerprinter
getFeatureCount
in interface IPatternFingerprinter
public java.util.BitSet getHashedFingerPrint()
getHashedFingerPrint
in interface IPatternFingerprinter
public double[] getWeightedHashedFingerPrint()
getWeightedHashedFingerPrint
in interface IPatternFingerprinter
public java.lang.String toString()
toString
in interface IPatternFingerprinter
toString
in class java.lang.Object
public IFeature getFeature(int index) throws org.openscience.cdk.exception.CDKException
getFeature
in interface IPatternFingerprinter
org.openscience.cdk.exception.CDKException
public java.lang.Double getWeight(java.lang.String pattern)
getWeight
in interface IPatternFingerprinter
public java.lang.Double getWeight(int index)
getWeight
in interface IPatternFingerprinter
public java.lang.String getFingerprintID()
getFingerprintID
in interface IPatternFingerprinter
public void setFingerprintID(java.lang.String fingerprintID)
setFingerprintID
in interface IPatternFingerprinter
fingerprintID
- the fingerprintID to setpublic int compare(IPatternFingerprinter o1, IPatternFingerprinter o2)
compare
in interface java.util.Comparator<IPatternFingerprinter>
o1
- o2
- public int compareTo(IPatternFingerprinter t)
compareTo
in interface java.lang.Comparable<IPatternFingerprinter>
t
- public boolean equals(java.lang.Object object)
equals
in interface java.util.Comparator<IPatternFingerprinter>
equals
in interface IPatternFingerprinter
equals
in class java.lang.Object
object
- public int hashCode()
hashCode
in interface IPatternFingerprinter
hashCode
in class java.lang.Object
public int getFingerprintSize()
IPatternFingerprinter
getFingerprintSize
in interface IPatternFingerprinter
public boolean hasFeature(IFeature key)
hasFeature
in interface IPatternFingerprinter
key
- public IPatternFingerprinter clone() throws java.lang.CloneNotSupportedException
clone
in interface IPatternFingerprinter
clone
in class java.lang.Object
java.lang.CloneNotSupportedException