Interface PfGenerator
- All Superinterfaces:
DescriptorGenerator<FloatVectorDescriptor>
,DescriptorSerializer<FloatVectorDescriptor>
,com.chemaxon.descriptors.metrics.FloatVectorMetricFactory<PfComparator>
,Guarded
,MetricFactory<PfComparator>
,Serializable
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Nested Class Summary
Nested classes/interfaces inherited from interface com.chemaxon.descriptors.common.Guarded
Guarded.EnsureThat, Guarded.New
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Method Summary
Modifier and TypeMethodDescriptioncom.chemaxon.descriptors.common.comparison.FloatVectorComparisonContextFactory
Get an unguarded context factory.Calculates the associated descriptor for the given Molecule.Gets the parameter object.Methods inherited from interface com.chemaxon.descriptors.common.DescriptorGenerator
defaultComparison, getBareDescriptor
Methods inherited from interface com.chemaxon.descriptors.common.DescriptorSerializer
fromByteArray, fromString, serializerIsEqualWith, toByteArray, toString
Methods inherited from interface com.chemaxon.descriptors.metrics.FloatVectorMetricFactory
forFloatMetrics, forTversky, forTverskyCoefficients
Methods inherited from interface com.chemaxon.descriptors.common.Guarded
getGuardObject
Methods inherited from interface com.chemaxon.descriptors.metrics.MetricFactory
defaultComparison
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Method Details
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comparisonContextFactory
com.chemaxon.descriptors.common.comparison.FloatVectorComparisonContextFactory comparisonContextFactory()Description copied from interface:DescriptorGenerator
Get an unguarded context factory. For internal use only.Implementations are supposed to provide space/processing efficient unguarded representation if applicable. Otherwise it is possible to expose
byte []
serialization based unguarded representation.Implementations are expected to provide additional factory methods for unguarded and plain descriptor comparators for implemented metrics.
- Specified by:
comparisonContextFactory
in interfaceDescriptorGenerator<FloatVectorDescriptor>
- Returns:
- an unguarded context factory
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generateDescriptor
Description copied from interface:DescriptorGenerator
Calculates the associated descriptor for the given Molecule.Note that different descriptors/application scenarios might need different structure standardization. Currently structure standardization is generally not in the scope of the responsibilities of
DescriptorGenerator
to the possible maximal extent.Since the returned descriptor might contain additional data (reference to input
Molecule
, etc) if it is stored for later comparison it is recommended to use the bare-only representation returned byDescriptorGenerator.getBareDescriptor(com.chemaxon.descriptors.common.Descriptor)
.- Specified by:
generateDescriptor
in interfaceDescriptorGenerator<FloatVectorDescriptor>
- Parameters:
m
- Input molecule- Returns:
- The calculated descriptor. If the implementation discriminates between rich and bare types then the
rich type is returned, otherwise the bare type. Note that the bare type is always available using
DescriptorGenerator.getBareDescriptor(com.chemaxon.descriptors.common.Descriptor)
on either the rich or the bare representation.
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getParameters
PfParameters getParameters()Description copied from interface:DescriptorGenerator
Gets the parameter object.- Specified by:
getParameters
in interfaceDescriptorGenerator<FloatVectorDescriptor>
- Returns:
- paramater obj
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