chemaxon.descriptors

Interface MolecularDescriptorGenerator

Deprecated.

5.4

@Deprecated
 @PublicAPI
public interface MolecularDescriptorGenerator

Interface definition for MolecularDescriptor generators.

Since:

JChem 2.0.0

Author:

Miklos Vargyas

Method Summary

Modifier and Type	Method and Description
java.lang.String[]	generate(Molecule m, MolecularDescriptor generatedDescr) Deprecated. Creates a certain type of MolecularDescriptor (depending on the specific ganerator providing this service) for the given molecule.

Method Detail

generate

java.lang.String[] generate(Molecule m,
                            MolecularDescriptor generatedDescr)
                     throws MDGeneratorException

Deprecated.

Creates a certain type of MolecularDescriptor (depending on the specific ganerator providing this service) for the given molecule. The descriptor (more precisely, its string representation), and other optional data (again depending on the specific generator) are stored in the input molecule as properties.

Parameters:

m - molecular structure for which the descriptor is generated

generatedDescr - the descriptor generated, an output parameter

Returns:

name(s) of tag(s) (properties) set in the input molecule

Throws:

MDGeneratorException