Package com.actelion.research.chem.phesa

Class DescriptorHandlerShapeOneConf

java.lang.Object

com.actelion.research.chem.phesa.DescriptorHandlerShape

com.actelion.research.chem.phesa.DescriptorHandlerShapeOneConf

All Implemented Interfaces:

DescriptorHandler<PheSAMolecule,StereoMolecule>, ISimilarityCalculator<PheSAMolecule>

public class DescriptorHandlerShapeOneConf
extends DescriptorHandlerShape

Field Summary

Fields inherited from class com.actelion.research.chem.phesa.DescriptorHandlerShape

FAILED_OBJECT, flexible, maxConfs, ppWeight

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

FAILED_BYTES, FAILED_STRING

Constructor Summary

Constructors

Constructor	Description
DescriptorHandlerShapeOneConf()
DescriptorHandlerShapeOneConf(double ppWeight)
DescriptorHandlerShapeOneConf(int maxConfs, double ppWeight)

Method Summary

Modifier and Type	Method	Description
DescriptorHandlerShape	getThreadSafeCopy()

Methods inherited from class com.actelion.research.chem.phesa.DescriptorHandlerShape

calculationFailed, createDescriptor, createDescriptor, decode, decode, encode, getDefaultInstance, getInfo, getPpWeight, getPreviousAlignment, getPreviousPheSAResult, getSimilarity, getVersion, init, isFlexible, setFlexible, setMaxConfs, setPreviousAlignment, setPreviousPheSAResult

Methods inherited from class java.lang.Object

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

Constructor Detail

DescriptorHandlerShapeOneConf

public DescriptorHandlerShapeOneConf()

DescriptorHandlerShapeOneConf

public DescriptorHandlerShapeOneConf(double ppWeight)

DescriptorHandlerShapeOneConf

public DescriptorHandlerShapeOneConf(int maxConfs,
                                     double ppWeight)

Method Detail

getThreadSafeCopy

public DescriptorHandlerShape getThreadSafeCopy()

Specified by:

getThreadSafeCopy in interface DescriptorHandler<PheSAMolecule,StereoMolecule>

Specified by:

getThreadSafeCopy in interface ISimilarityCalculator<PheSAMolecule>

Overrides:

getThreadSafeCopy in class DescriptorHandlerShape

Returns:

a deep copy for parallel computing.