All Classes
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All Classes Class Summary Enum Summary Exception Summary Class Description AmbiguityDetectionTest AtomTest BondTest CASToolsTest ComponentGeneration_AmbiguitiesAndIrregularitiesTest ComponentGeneration_MiscTest ComponentGeneration_ProcesslocantsTest ComponentGeneration_StereochemistryTest ComponentProcessorTest CycleDetectorTest DtdTest FragmentManagerTest FragmentTest FusedRingNumbererFunctionsTest FusedRingNumbererTest Tests that fused ring numbering is working as expected.HeteroAtomReplacementTest NameToStructure The "master" class, to turn a name into a structure.NameToStructureConfig Allows OPSIN to be configured e.g.NameToStructureConfigurationsTest NameToStructureException Thrown if OPSIN failed to initialiseNameToStructureTest OpsinResult Holds the structure OPSIN has generated from a name Additionally holds a status code for whether name interpretation was successfulOpsinResult.OPSIN_RESULT_STATUS Whether parsing the chemical name was successful, encountered problems or was unsuccessful.
If the result is notOpsinResult.OPSIN_RESULT_STATUS.FAILUREthen a structure has been generatedOpsinWarning 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.OpsinWarning.OpsinWarningType The type of problem OPSIN encounteredParserTest 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 ParseRulesParseTokens A "struct" containing data a possible tokenisation of a word in a chemical name.ParsingException Thrown during finite-state parsing.PolymerTest PreProcessorTest RadixTrieTest SMILESFragmentBuilderTest SMILESWriterTest SSSRTest StereochemistryTest StructureBuildingMethodsTest TokenizerTest VerifyFragmentsTest WordToolsTest