Simulation comparison with offline fraction analytic

Ok, then maybe the Fractionator isn’t the right tool for you. What you could to instead, is to create Fractions from the solution object. It’s still a bit clunky but it would work something like this:

start = 1
end = 2

from CADETProcess.fractionation import Fraction
mass = solution.fraction_mass(start, end)
volume = solution.fraction_volume(start, end)

fraction = Fraction(mass, volume)

print(
    fraction.mass,
    fraction.volume,
    fraction.concentration,
    fraction.purity,
)

In a future release, this could look something like

fraction = solution.create_fraction(start, end)

In case you’re only interested in the concentration of some components, see also this post.