Package com.actelion.research.chem.descriptor.pharmacophoretree

Class DescriptorHandlerPTree

java.lang.Object

com.actelion.research.chem.descriptor.pharmacophoretree.DescriptorHandlerPTree

All Implemented Interfaces:

DescriptorHandler<PharmacophoreTree,StereoMolecule>, ISimilarityCalculator<PharmacophoreTree>

public class DescriptorHandlerPTree
extends java.lang.Object
implements DescriptorHandler<PharmacophoreTree,StereoMolecule>

Field Summary

Fields

Modifier and Type	Field	Description
static PharmacophoreTree	FAILED_OBJECT

Fields inherited from interface com.actelion.research.chem.descriptor.DescriptorHandler

FAILED_BYTES, FAILED_STRING

Constructor Summary

Constructors

Constructor	Description
DescriptorHandlerPTree()

Method Summary

Modifier and Type	Method	Description
boolean	calculationFailed(PharmacophoreTree o)
PharmacophoreTree	createDescriptor(StereoMolecule mol)
PharmacophoreTree	decode(byte[] arr)
PharmacophoreTree	decode(java.lang.String s)
java.lang.String	encode(PharmacophoreTree pTree)
static DescriptorHandlerPTree	getDefaultInstance()
DescriptorInfo	getInfo()
float	getSimilarity(PharmacophoreTree pt1, PharmacophoreTree pt2)
DescriptorHandler<PharmacophoreTree,StereoMolecule>	getThreadSafeCopy()
java.lang.String	getVersion()

Methods inherited from class java.lang.Object

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

Field Detail

FAILED_OBJECT

public static final PharmacophoreTree FAILED_OBJECT

Constructor Detail

DescriptorHandlerPTree

public DescriptorHandlerPTree()

Method Detail

getSimilarity

public float getSimilarity(PharmacophoreTree pt1,
                           PharmacophoreTree pt2)

Specified by:

getSimilarity in interface ISimilarityCalculator<PharmacophoreTree>

getVersion

public java.lang.String getVersion()

Specified by:

getVersion in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

getInfo

public DescriptorInfo getInfo()

Specified by:

getInfo in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

Specified by:

getInfo in interface ISimilarityCalculator<PharmacophoreTree>

encode

public java.lang.String encode(PharmacophoreTree pTree)

Specified by:

encode in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

decode

public PharmacophoreTree decode(byte[] arr)

Specified by:

decode in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

decode

public PharmacophoreTree decode(java.lang.String s)

Specified by:

decode in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

createDescriptor

public PharmacophoreTree createDescriptor(StereoMolecule mol)

Specified by:

createDescriptor in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

calculationFailed

public boolean calculationFailed(PharmacophoreTree o)

Specified by:

calculationFailed in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

getThreadSafeCopy

public DescriptorHandler<PharmacophoreTree,StereoMolecule> getThreadSafeCopy()

Specified by:

getThreadSafeCopy in interface DescriptorHandler<PharmacophoreTree,StereoMolecule>

Specified by:

getThreadSafeCopy in interface ISimilarityCalculator<PharmacophoreTree>

Returns:

a deep copy for parallel computing.

getDefaultInstance

public static DescriptorHandlerPTree getDefaultInstance()