OEIsValidMonomerData

Attention

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

bool OEIsValidMonomerData(const OEMonomerData& monomer)
bool OEIsValidMonomerData(const OEMonomerData& monomer,
                          OEMonomerValidationResult& result)

Returns whether the OEMonomerData object is fully defined and correct.

OEMonomerData monomerData("[H:1]N[C@@H](C)C(=O)[OH:2]");
monomerData.SetName("L-Alanine");
monomerData.AddCode("Standard", "A");
OEMonomerValidationResult result;
if (!OEIsValidMonomerData(monomerData, result))
{
  OEThrow.Error("Invalid monomer definition for '%s' [warning=%s]", monomerData.GetName().c_str(),
                result.GetWarning().c_str());
}