def CalculateMolMR(mol): """ ################################################################# Cacluation of molecular refraction value based on Crippen method ---->MR Usage: result=CalculateMolMR(mol) Input: mol is a molecule object. Output: result is a numeric value. ################################################################# """ return round(Crippen._pyMolMR(mol),3)
def CalculateMolMR(mol): """ ################################################################# Cacluation of molecular refraction value based on Crippen method ---->MR Usage: result=CalculateMolMR(mol) Input: mol is a molecule object. Output: result is a numeric value. ################################################################# """ return round(Crippen._pyMolMR(mol), 3)
def CalculateMolMR(mol: Chem.Mol) -> float: """Cacluate molecular refraction. From Wildman and G. M. Crippen JCICS _39_ 868-873 (1999). """ return round(Crippen._pyMolMR(mol), 3)