Interface DescriptorParameters

All Superinterfaces:
All Known Implementing Classes:
AbstractShapeGeneratorParameter, BvParameters, CfpParameters, EcfpParameters, FvParameters, MaccsParameters, PfParameters

@Beta @PublicAPI public interface DescriptorParameters extends Serializable
Descriptor calculator parameters base interface.

Implementations of this interface are the main entry points for the available descriptors.

API contracts

  • Implementations must provide a nullary public constructor which initializes default values.
  • Implementations must not expose any other public constructor(s).
  • Implementations must implement ParameterBuilder
  • Fields must be private final; must provide getters
  • Proper builder must be provided
    • Builder must have a nullary constructor which initializes default values
    • Builder must have a constructor which initialize values from an instance of the immutable parameter object
  • Implementations are encouraged to return concrete subtype in getDescriptorGenerator()
  • Implementations must be serializable

Note that in some cases the generated bare and rich descriptor type can be the same.

Please note that this interface is marked with Beta annotation, so it can be subject of incompatible changes or removal in later releases.

  • Method Details

    • getDescriptorGenerator

      DescriptorGenerator<?> getDescriptorGenerator()
      Return the represented descriptor generator.

      Please note that certain descriptors might provide multiple DescriptorGenerator implementations for different descriptor representations. (Consider structure based fingerprints feature list/feature counts/folded finite binary vector representations.) Such different descriptor generators might be exposed through their parameters object as multiple factory methods.

      Associated generator