OEHelmGenerationReturnCode

Attention

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

The OEHelmGenerationReturnCode namespace contains codes representing the success or various issues of HELM string generation when using the OEMolToHelm function.

See also

Success

Represents that the HELM is successfully generated.

InvalidCodeSet

Returned if the the monomers set used for HELM generation does not have the specified code-set.

InvalidMonomerGraph

Returns if after the monomers mapped to the molecule, the monomer graph can not be fully traversed to encode all the monomer components in the HELM string.

InvalidUnmappedFragment

Returned if there is any unmapped monomer in the molecule that can not be represented in the HELM as an embedded SMILES string.

NoSequence

Returned if the molecule has large portion of its sequence unmapped to known monomers.

TooLarge

Returned if the molecule has more than 2048 heavy atoms and it is considered too large for HELM generation.

UnmappedFragments

Returns if there are any unmapped fragments in the molecule that would obstruct the generation of a valid HELM string without embedded SMILES.

See also

UnspecifiedAtomStereo

Returns if there is any unspecified stereo of a chiral atom in the molecule that would obstruct the generation of a valid HELM string without embedded SMILES.

See also

UnspecifiedBondStereo

Returns if there is any unspecified stereo of a chiral bond in the molecule that would obstruct the generation of a valid HELM string without embedded SMILES.

See also