Class DescriptorHandlerHashedCFp
- java.lang.Object
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- com.actelion.research.chem.descriptor.AbstractDescriptorHandlerFP<StereoMolecule>
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- com.actelion.research.chem.descriptor.DescriptorHandlerHashedCFp
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- All Implemented Interfaces:
DescriptorHandler<int[],StereoMolecule>,ISimilarityCalculator<int[]>
public class DescriptorHandlerHashedCFp extends AbstractDescriptorHandlerFP<StereoMolecule>
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Field Summary
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Fields inherited from class com.actelion.research.chem.descriptor.AbstractDescriptorHandlerFP
FAILED_OBJECT
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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 DescriptorHandlerHashedCFp()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description int[]createDescriptor(StereoMolecule mol)This descriptor requires proper up/down bonds, because it encodes stereo parities.static DescriptorHandlerHashedCFpgetDefaultInstance()DescriptorInfogetInfo()floatgetSimilarity(int[] o1, int[] o2)DescriptorHandler<int[],StereoMolecule>getThreadSafeCopy()java.lang.StringgetVersion()-
Methods inherited from class com.actelion.research.chem.descriptor.AbstractDescriptorHandlerFP
calculationFailed, decode, decode, encode
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Method Detail
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getDefaultInstance
public static DescriptorHandlerHashedCFp getDefaultInstance()
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getInfo
public DescriptorInfo getInfo()
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getVersion
public java.lang.String getVersion()
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createDescriptor
public int[] createDescriptor(StereoMolecule mol)
This descriptor requires proper up/down bonds, because it encodes stereo parities. If a passed molecule is generated from idcode parsing, make sure that coordinates and up/down/bonds are available, i.e. that the IDCodeParser was instantiated with the respective option.
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getSimilarity
public float getSimilarity(int[] o1, int[] o2)- Specified by:
getSimilarityin interfaceISimilarityCalculator<int[]>- Overrides:
getSimilarityin classAbstractDescriptorHandlerFP<StereoMolecule>
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getThreadSafeCopy
public DescriptorHandler<int[],StereoMolecule> getThreadSafeCopy()
- Returns:
- a deep copy for parallel computing.
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