#!/usr/bin/env python
# -*- coding: utf-8 -*-
# utilisations de elements.py & molmass.py
# source : http://www.lfd.uci.edu/~gohlke/
# mars 2020 : adaptation python 3
from molmass import Formula

f = Formula("D2O")
#f = Formula("H2SO4")

print(f.formula)

print(f.empirical)

print(f.mass)  # average mass
print(f.isotope.massnumber)  # nominal mass
print(f.isotope.mass)  # monoisotopic mass
print(f.atoms)
print(f.composition())
print(f.spectrum())