getTotal can include _total concentration
I just noticed that, as the scaling in the second isotope label example was off by a factor 2 between mb and mbm, the getTotal
function can return false values. This is due to the regular expression.
Example:
"\A" + 'FBP' + '.' * c + "\Z"
will return 'FBP000000' etc, but also 'FBP_total', as '_total' is also six characters long. The correct expression would have been "\A" + 'FBP' + '[01]' * c + "\Z"
.
This is one of the examples, why we really need more thorough testing, as you can't see the relative error, without knowing the expected value.
Since this will get fixed by the different calling mechanism in 1.0, I will leave this open for the time being.