Uses of Class
uk.ac.cam.ch.wwmm.opsin.OpsinResult
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Uses of OpsinResult in uk.ac.cam.ch.wwmm.opsin
Methods in uk.ac.cam.ch.wwmm.opsin that return OpsinResult Modifier and Type Method Description OpsinResult
NameToStructure. parseChemicalName(java.lang.String name)
Parses a chemical name, returning an OpsinResult which represents the molecule.OpsinResult
NameToStructure. parseChemicalName(java.lang.String name, NameToStructureConfig n2sConfig)
Parses a chemical name, returning an OpsinResult which represents the molecule.Methods in uk.ac.cam.ch.wwmm.opsin with parameters of type OpsinResult Modifier and Type Method Description static java.lang.String
NameToInchi. convertResultToInChI(OpsinResult result)
Converts an OPSIN result to InChI.static java.lang.String
NameToInchi. convertResultToStdInChI(OpsinResult result)
Converts an OPSIN result to StdInChI.static java.lang.String
NameToInchi. convertResultToStdInChIKey(OpsinResult result)
Converts an OPSIN result to a StdInChIKey.
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