InchiPruner |
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NameToInchi |
Allows the conversion of OPSIN's output into (Std)InChIs or StdInChIKeys
Also can be used, as a convenience method, to directly convert chemical names to (Std)InChIs or StdInChIKeys
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NameToStructure |
The "master" class, to turn a name into a structure.
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NameToStructureConfig |
Allows OPSIN to be configured e.g.
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OpsinResult |
Holds the structure OPSIN has generated from a name
Additionally holds a status code for whether name interpretation was successful
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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.
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ParseRules |
Instantiate via NameToStructure.getOpsinParser()
Performs finite-state allocation of roles ("annotations") to tokens:
The chemical name is broken down into tokens e.g.
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ParseRulesResults |
A wrapper for the results from parsing a chemical name or part of a chemical name
through ParseRules
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ParseTokens |
A "struct" containing data a possible tokenisation of a word in a chemical name.
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