jklustor-all-api-0.0.7-20140619012755 (ChemAxon)

Interface Descriptor

All Known Subinterfaces:
BinaryVectorDescriptor, Cfp, DRShapeDescriptor, Ecfc, Ecfl, Ecfp, FloatVectorDescriptor, PharmacophoreFP, ShapeDescriptor

public interface Descriptor

Descriptor represents a molecular descriptor calculated by a specific DescriptorGenerator instance for a specific structure.

Note that descriptors generated by different DescriptorGenerator instances are considered incompatible.

Note that a Descriptor object optionally can contain additional data not needed for comparison. Such descriptors are referenced as rich descriptors. Descriptors containing only data required for comparison are referenced as bare descriptors. (Refefrence to the associated DescriptorGenerator is considered as data required for compariosn, so bare descriptors also contain it.) When these two representations are available, the associated DescriptorGenerator is capable of creating a bare-only representation.

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

Gabor Imre

Method Summary
 DescriptorGenerator<?> getDescriptorGenerator()
          Get associated DescriptorGenerator.

Method Detail


DescriptorGenerator<?> getDescriptorGenerator()
Get associated DescriptorGenerator.

This method is intended to use only for ensuring that two compared descriptors has the same associated generator instances.

Note that it is usually a non recommended practice to use this method to access the associated generator to perform further operations on it.

The associated descriptor generator

jklustor-all-api-0.0.7-20140619012755 (ChemAxon)