OEHelmParsingReturnCode

Attention

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

The OEHelmParsingReturnCode namespace contains codes representing the success or various issues of HELM string parsing when using the OEHelmToMol function.

See also

Success

Represents that the HELM is successfully parsed.

HelmInvalidComponent

HelmInvalidVersion

HelmSyntaxError

InvalidConnectionChainId

The HELM connection component references a chain that does not exist.

InvalidConnectionMonomerIdx

The HELM connection component references a monomer that does not exist.

InvalidConnectionRGroupIdx

The HELM connection component references a chain that does not exist.

InvalidEmbeddedSmiles

The HELM contains embedded SMILES string that can not be parsed and converted into a monomer.

InvalidMonomerConnection

The HELM contains monomer connections that are invalid.

NotSupported

The HELM contains features that is not supported yet in the current implementation.

UnrecognizedMonomerCode

The HELM string includes a monomer code that is not present in the selected code sets.