Molecular FormulaΒΆ
https://en.wikipedia.org/wiki/Chemical_formula#Molecular_formula
https://en.wikipedia.org/wiki/Chemical_formula#Hill_system
>>> from pybio import Formula, Atom
>>> methane = Formula("CH4")
Representing & printing:
>>> methane
Formula('CH4')
>>> print(methane)
CH4
Individual element testing, counting:
>>> Atom("C") in methane
True
>>> Atom("Ca") in methane
False
>>> methane[Atom("H")]
4
Ions:
>>> Formula("[N+]H4")
Formula('H4N+')
Isotopes:
>>> Formula("H4[13C]")
Formula('[13C]H4')
Hill system:
>>> for formula in "IBr Cl4C IH3C C2BrH5 H2O4S".split():
... print(formula, "->", Formula(formula))
IBr -> BrI
Cl4C -> CCl4
IH3C -> CH3I
C2BrH5 -> C2H5Br
H2O4S -> H2O4S