Package com.actelion.research.chem.phesa
Class DescriptorHandlerShapeOneConf
- java.lang.Object
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- com.actelion.research.chem.phesa.DescriptorHandlerShape
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- com.actelion.research.chem.phesa.DescriptorHandlerShapeOneConf
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- All Implemented Interfaces:
DescriptorHandler<PheSAMolecule,StereoMolecule>
,ISimilarityCalculator<PheSAMolecule>
public class DescriptorHandlerShapeOneConf extends DescriptorHandlerShape
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Field Summary
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Fields inherited from class com.actelion.research.chem.phesa.DescriptorHandlerShape
FAILED_OBJECT, flexible, maxConfs, ppWeight, SIZE_CUTOFF, threadMaster
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Fields inherited from interface com.actelion.research.chem.descriptor.DescriptorHandler
FAILED_BYTES, FAILED_STRING
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Constructor Summary
Constructors Constructor Description DescriptorHandlerShapeOneConf()
DescriptorHandlerShapeOneConf(double ppWeight)
DescriptorHandlerShapeOneConf(int maxConfs, double ppWeight)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description DescriptorHandlerShape
getThreadSafeCopy()
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Methods inherited from class com.actelion.research.chem.phesa.DescriptorHandlerShape
calculationFailed, createDescriptor, createDescriptor, decode, decode, encode, getDefaultInstance, getInfo, getPpWeight, getPreProcessTransformations, getPreviousAlignment, getPreviousPheSAResult, getSimilarity, getVersion, init, isFlexible, setFlexible, setMaxConfs, setPreviousAlignment, setPreviousPheSAResult, setThreadMaster
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Method Detail
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getThreadSafeCopy
public DescriptorHandlerShape getThreadSafeCopy()
- Specified by:
getThreadSafeCopy
in interfaceDescriptorHandler<PheSAMolecule,StereoMolecule>
- Specified by:
getThreadSafeCopy
in interfaceISimilarityCalculator<PheSAMolecule>
- Overrides:
getThreadSafeCopy
in classDescriptorHandlerShape
- Returns:
- a deep copy for parallel computing.
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