OEIsValidMonomerData

Attention

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

OEIsValidMonomerData(monomer: OEMonomerData) -> bool
OEIsValidMonomerData(monomer: OEMonomerData,
                     result: OEMonomerValidationResult) -> bool

Returns whether the OEMonomerData object is fully defined and correct.

from openeye import oechem

monomer_data = oechem.OEMonomerData("[H:1]N[C@@H](C)C(=O)[OH:2]")
monomer_data.SetName("L-Alanine")
monomer_data.AddCode("Standard", "A")
result = oechem.OEMonomerValidationResult()
if not oechem.OEIsValidMonomerData(monomer_data, result):
    oechem.OEThrow.Error(
        "Invalid monomer definition for '{0}' [warning={1}]".format(
            monomer_data.GetName(), result.GetWarning()
        )
    )