Interface | Description |
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SmilesOptions |
Options to control SMILES generation.
|
Class | Description |
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NameToStructure |
The "master" class, to turn a name into a structure.
|
NameToStructureConfig |
Allows OPSIN to be configured e.g.
|
OpsinResult |
Holds the structure OPSIN has generated from a name
Additionally holds a status code for whether name interpretation was successful
|
OpsinWarning |
A warning generated by OPSIN while interpreting a name.
The specifics of the warning may be used to judge whether you want to accept the generated structure. |
ParseRules |
Instantiate via NameToStructure.getOpsinParser()
Performs finite-state allocation of roles ("annotations") to tokens:
The chemical name is broken down into tokens e.g.
|
ParseRulesResults |
A wrapper for the results from parsing a chemical name or part of a chemical name
through ParseRules
|
ParseTokens |
A "struct" containing data a possible tokenisation of a word in a chemical name.
|
Enum | Description |
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OpsinResult.OPSIN_RESULT_STATUS |
Whether parsing the chemical name was successful, encountered problems or was unsuccessful.
If the result is not OpsinResult.OPSIN_RESULT_STATUS.FAILURE then a structure has been generated |
OpsinWarning.OpsinWarningType |
The type of problem OPSIN encountered
|
StereoGroupType |
Indicate if a stereo-center belongs to a certain stereo group type.
|
Exception | Description |
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NameToStructureException |
Thrown if OPSIN failed to initialise
|
ParsingException |
Thrown during finite-state parsing.
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