ambit2.core.data

Class HashIntDescriptorResult

java.lang.Object

ambit2.core.data.HashDescriptorResult<Integer>

ambit2.core.data.HashIntDescriptorResult

All Implemented Interfaces:

Serializable, org.openscience.cdk.fingerprint.IFingerprinter, org.openscience.cdk.qsar.result.IDescriptorResult

public class HashIntDescriptorResult
extends HashDescriptorResult<Integer>
implements org.openscience.cdk.fingerprint.IFingerprinter

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
String	factory
protected int	maxLevels

Fields inherited from class ambit2.core.data.HashDescriptorResult

results

Constructor Summary

Constructors

Constructor and Description
HashIntDescriptorResult(Map<String,Integer> map)

Method Summary

Modifier and Type	Method and Description
String	asBooleanQuery(int maxlen)
String	expandedString() Used for db storage
org.openscience.cdk.fingerprint.IBitFingerprint	getBitFingerprint(org.openscience.cdk.interfaces.IAtomContainer container)
org.openscience.cdk.fingerprint.ICountFingerprint	getCountFingerprint(org.openscience.cdk.interfaces.IAtomContainer container)
String	getFactory() CDK 1.5.15
BitSet	getFingerprint(org.openscience.cdk.interfaces.IAtomContainer arg0)
int	getMaxLevels()
Map<String,Integer>	getRawFingerprint(org.openscience.cdk.interfaces.IAtomContainer container)
int	getSize()
String	getVersionDescription()
String	keys2String(int maxlen)
String	normalizeKey(String key)
void	setFactory(String factory)
void	setMaxLevels(int maxLevels)
String	toString()

Methods inherited from class ambit2.core.data.HashDescriptorResult

getResults, length, setResults

Methods inherited from class java.lang.Object

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

Field Detail

maxLevels

protected int maxLevels

factory

public String factory

Constructor Detail

HashIntDescriptorResult

public HashIntDescriptorResult(Map<String,Integer> map)
                        throws Exception

Throws:

Exception

Method Detail

getFactory

public String getFactory()

CDK 1.5.15

setFactory

public void setFactory(String factory)

getMaxLevels

public int getMaxLevels()

setMaxLevels

public void setMaxLevels(int maxLevels)

getBitFingerprint

public org.openscience.cdk.fingerprint.IBitFingerprint getBitFingerprint(org.openscience.cdk.interfaces.IAtomContainer container)
                                                                  throws org.openscience.cdk.exception.CDKException

Specified by:

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

Throws:

org.openscience.cdk.exception.CDKException

getCountFingerprint

public org.openscience.cdk.fingerprint.ICountFingerprint getCountFingerprint(org.openscience.cdk.interfaces.IAtomContainer container)
                                                                      throws org.openscience.cdk.exception.CDKException

Specified by:

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

Throws:

org.openscience.cdk.exception.CDKException

getRawFingerprint

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

Specified by:

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

Throws:

org.openscience.cdk.exception.CDKException

getSize

public int getSize()

Specified by:

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

expandedString

public String expandedString()

Used for db storage

Returns:

normalizeKey

public String normalizeKey(String key)

keys2String

public String keys2String(int maxlen)

asBooleanQuery

public String asBooleanQuery(int maxlen)

toString

public String toString()

Specified by:

toString in interface org.openscience.cdk.qsar.result.IDescriptorResult

Overrides:

toString in class HashDescriptorResult<Integer>

getFingerprint

public BitSet getFingerprint(org.openscience.cdk.interfaces.IAtomContainer arg0)
                      throws org.openscience.cdk.exception.CDKException

Specified by:

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

Throws:

org.openscience.cdk.exception.CDKException

getVersionDescription

public String getVersionDescription()

Specified by:

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