Tests

[PaulWAyers]

Are the reactions invariant to multiplying the stoichiometry by a constant. E.g., [-0.5,-1,1] should equal [-1,-2,2]. If not we need to document the "right" way to do it.

I think it should be invariant if the correct equilibrium constant is used:

$$ K_{eq} = \frac{[C]}{[A]^{\frac{1}{2}}[B]} = \sqrt{\frac{[C]^2}{[A][B]^2}} $$

[PaulWAyers]

Test against (non)cooperative ternary complex concentrations (analytic solution).

[Khaleeh]

@PaulWAyers I ran the same code from #19 but doubled all the stoichiometry values and got the following.
[9.90e-01 1.00e-04 1.00e-04 9.90e-03 0.00e+00 0.00e+00] nekmc
[ 9.901e-01 1.00e-04 1.00e-04 9.90e-03 6.64e-14 -6.64-14] exact

the undoubled values return is

[9.90e-01 2.00e-06 1.00e-04 9.99e-03 0.0e+00 0.0e+00] nekmc
[9.90e-01 1.99e-06 1.00e-04 9.99e-03 -7.21e-14 7.21e-14] exact

[PaulWAyers]

Same comment as before. Keep in mind that if you double the stoichiometric coefficients, you need to square the equilibrium constant to be consistent with the previous solution.