Class DescriptorHandlerPFP512
- java.lang.Object
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- com.actelion.research.chem.descriptor.AbstractDescriptorHandlerFP<StereoMolecule>
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- com.actelion.research.chem.descriptor.DescriptorHandlerPFP512
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- All Implemented Interfaces:
DescriptorConstants
,DescriptorHandler<int[],StereoMolecule>
,ISimilarityCalculator<int[]>
public class DescriptorHandlerPFP512 extends AbstractDescriptorHandlerFP<StereoMolecule> implements DescriptorConstants
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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.DescriptorConstants
DESCRIPTOR_BINARY_SKELETONSPHERES, DESCRIPTOR_CenteredSkeletonFragments, DESCRIPTOR_EXTENDED_LIST, DESCRIPTOR_FFP512, DESCRIPTOR_Flexophore, DESCRIPTOR_FULL_FRAGMENT_SET, DESCRIPTOR_HashedCFp, DESCRIPTOR_IntegerVector, DESCRIPTOR_LIST, DESCRIPTOR_MAX_COMMON_SUBSTRUCT, DESCRIPTOR_OrganicFunctionalGroups, DESCRIPTOR_PFP512, DESCRIPTOR_PhysicoChemicalProperties, DESCRIPTOR_PTREE, DESCRIPTOR_ReactionFP, DESCRIPTOR_ShapeAlign, DESCRIPTOR_ShapeAlignSingleConf, DESCRIPTOR_SkeletonSpheres, DESCRIPTOR_SUBSTRUCT_QUERY_IN_BASE, DESCRIPTOR_TopoPPHistDist, DESCRIPTOR_TYPE_MOLECULE, DESCRIPTOR_TYPE_REACTION, DESCRIPTOR_TYPE_UNKNOWN
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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 DescriptorHandlerPFP512()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description int[]
createDescriptor(StereoMolecule mol)
static DescriptorHandlerPFP512
getDefaultInstance()
DescriptorInfo
getInfo()
float
getSimilarity(int[] o1, int[] o2)
DescriptorHandler<int[],StereoMolecule>
getThreadSafeCopy()
java.lang.String
getVersion()
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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 DescriptorHandlerPFP512 getDefaultInstance()
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getInfo
public DescriptorInfo getInfo()
- Specified by:
getInfo
in interfaceDescriptorHandler<int[],StereoMolecule>
- Specified by:
getInfo
in interfaceISimilarityCalculator<int[]>
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getVersion
public java.lang.String getVersion()
- Specified by:
getVersion
in interfaceDescriptorHandler<int[],StereoMolecule>
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createDescriptor
public int[] createDescriptor(StereoMolecule mol)
- Specified by:
createDescriptor
in interfaceDescriptorHandler<int[],StereoMolecule>
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getThreadSafeCopy
public DescriptorHandler<int[],StereoMolecule> getThreadSafeCopy()
- Specified by:
getThreadSafeCopy
in interfaceDescriptorHandler<int[],StereoMolecule>
- Specified by:
getThreadSafeCopy
in interfaceISimilarityCalculator<int[]>
- Returns:
- a deep copy for parallel computing.
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getSimilarity
public float getSimilarity(int[] o1, int[] o2)
- Specified by:
getSimilarity
in interfaceISimilarityCalculator<int[]>
- Overrides:
getSimilarity
in classAbstractDescriptorHandlerFP<StereoMolecule>
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