OEIsValidMMFFMolecule

Attention

This API is currently available in C++ and Python.

bool OEIsValidMMFFMolecule(const OEChem::OEMolBase& mol)
bool OEIsValidMMFFMolecule(const OEChem::OEMolBase& mol, const OEMMFFParams& params)

This free function checks if MMFF parameters are available for the specified molecule. If the optional argument param is provided, check is performed against that specific OEMMFFParams, otherwise the OEMMFF94sParams is used by default.