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)
