Package chemaxon.descriptors
Interface MolecularDescriptorGenerator
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@Deprecated @PublicAPI public interface MolecularDescriptorGenerator
Deprecated.5.4Interface definition forMolecularDescriptor
generators.- Since:
- JChem 2.0.0
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Method Summary
All Methods Instance Methods Abstract Methods Deprecated Methods Modifier and Type Method Description String[]
generate(Molecule m, MolecularDescriptor generatedDescr)
Deprecated.Creates a certain type ofMolecularDescriptor
(depending on the specific ganerator providing this service) for the given molecule.
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Method Detail
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generate
String[] generate(Molecule m, MolecularDescriptor generatedDescr) throws MDGeneratorException
Deprecated.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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