OEHelmGenerationResult

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

class OEHelmGenerationResult

This class is used to return additional information when using the OEMolToHelm function.

Constructors

OEHelmGenerationResult() -> OEHelmGenerationResult
OEHelmGenerationResult(arg2: OEHelmGenerationResult) -> OEHelmGenerationResult

Default and copy constructor.

GetCodeSet

GetCodeSet() -> str

Returns the name of the code-set that is used to successfully generate the HELM string.

GetReturnCode

GetReturnCode() -> int

Returns a code from the OEHelmGenerationReturnCode namespace.

GetUnmappedFragments

Returns the SMILES representation of unmapped fragments in the molecule.

GetUnmappedFragments() -> OEStringVector

GetWarning

GetWarning() -> str

If the HELM generation fails, i.e. the return code is not OEHelmGenerationReturnCode_Success, this message provides details about the reason for the failure.