public class MolFingerprint extends java.lang.Object implements java.lang.Comparable<MolFingerprint>, java.util.Comparator<MolFingerprint>
Constructor and Description |
---|
MolFingerprint() |
MolFingerprint(java.util.BitSet fgrprt) |
MolFingerprint(boolean[] fgprt) |
MolFingerprint(org.openscience.cdk.interfaces.IAtomContainer mol) |
MolFingerprint(int length) |
MolFingerprint(MolFingerprint molFingerprint) |
Modifier and Type | Method and Description |
---|---|
MolFingerprint |
and(MolFingerprint molFp) |
void |
append(java.lang.Byte b) |
void |
append(MolFingerprint fp) |
int |
compare(MolFingerprint o1,
MolFingerprint o2)
Returns 0 if two fingerprints are equal and if they share same labels it
returns difference in their weight
|
int |
compareTo(MolFingerprint 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
|
boolean |
getBit(int index) |
java.util.BitSet |
getBitSet()
Returns binary arrayFingerprint as bitset
|
boolean[] |
getBooleanArray() |
int |
hashCode() |
int |
length() |
MolFingerprint |
or(MolFingerprint molFp) |
void |
println() |
void |
setBit(int index,
boolean value) |
double |
similarity(MolFingerprint fingerprint) |
java.lang.String |
toString() |
public MolFingerprint()
public MolFingerprint(org.openscience.cdk.interfaces.IAtomContainer mol) throws org.openscience.cdk.exception.CDKException
mol
- org.openscience.cdk.exception.CDKException
public MolFingerprint(java.util.BitSet fgrprt)
fgrprt
- public MolFingerprint(int length)
length
- public MolFingerprint(boolean[] fgprt) throws org.openscience.cdk.exception.CDKException
fgprt
- org.openscience.cdk.exception.CDKException
public MolFingerprint(MolFingerprint molFingerprint) throws org.openscience.cdk.exception.CDKException
molFingerprint
- org.openscience.cdk.exception.CDKException
public java.util.BitSet getBitSet()
public java.lang.String toString()
toString
in class java.lang.Object
public void println()
public int length()
public boolean getBit(int index) throws org.openscience.cdk.exception.CDKException
index
- org.openscience.cdk.exception.CDKException
public void setBit(int index, boolean value) throws org.openscience.cdk.exception.CDKException
index
- value
- org.openscience.cdk.exception.CDKException
public boolean[] getBooleanArray()
public void append(java.lang.Byte b) throws org.openscience.cdk.exception.CDKException
b
- org.openscience.cdk.exception.CDKException
public void append(MolFingerprint fp) throws org.openscience.cdk.exception.CDKException
fp
- org.openscience.cdk.exception.CDKException
public MolFingerprint or(MolFingerprint molFp) throws org.openscience.cdk.exception.CDKException
molFp
- org.openscience.cdk.exception.CDKException
public MolFingerprint and(MolFingerprint molFp) throws org.openscience.cdk.exception.CDKException
molFp
- org.openscience.cdk.exception.CDKException
public double similarity(MolFingerprint fingerprint) throws java.lang.Exception
fingerprint
- java.lang.Exception
public int compareTo(MolFingerprint t)
compareTo
in interface java.lang.Comparable<MolFingerprint>
t
- public boolean equals(java.lang.Object object)
equals
in interface java.util.Comparator<MolFingerprint>
equals
in class java.lang.Object
object
- public int hashCode()
hashCode
in class java.lang.Object
public int compare(MolFingerprint o1, MolFingerprint o2)
compare
in interface java.util.Comparator<MolFingerprint>
o1
- o2
-