Package chemaxon.descriptors
Interface MolecularDescriptorGenerator
@PublicApi
@Deprecated(forRemoval=true)
@SubjectToRemoval(date=JUL_01_2025)
public interface MolecularDescriptorGenerator
Deprecated, for removal: This API element is subject to removal in a future version.
No longer used, will be removed.
Interface definition for
MolecularDescriptor
generators.- Since:
- JChem 2.0.0
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Method Summary
Modifier and TypeMethodDescriptionString[]
generate
(Molecule m, MolecularDescriptor generatedDescr) Deprecated, for removal: This API element is subject to removal in a future version.Creates a certain type ofMolecularDescriptor
(depending on the specific ganerator providing this service) for the given molecule.
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Method Details
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generate
Deprecated, for removal: This API element is subject to removal in a future version.Creates a certain type ofMolecularDescriptor
(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 generatedgeneratedDescr
- the descriptor generated, an output parameter- Returns:
- name(s) of tag(s) (properties) set in the input molecule
- Throws:
MDGeneratorException
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