containsElements

[meowcat]

> containsElements("C9H10FNO2", "F")
[1] FALSE
> containsElements("C9H10F1NO2", "F")
[1] FALSE
> containsElements("C9H10FNO2", "F1")
[1] FALSE
> containsElements("C9H10F1NO2", "F1")
[1] FALSE
> fo <- standardizeFormula("C9H10FNO2")
> containsElements(fo, "F")
[1] FALSE
> fo <- standardizeFormula("C9H10F1N1O2")
> containsElements(fo, "F")
[1] FALSE
> containsElements(fo, "F1")
[1] FALSE

In contrast, sometimes it works:

> containsElements("C10H10F3N3", "F1")
[1] TRUE
> containsElements("C10H10F3N3", "F")
[1] TRUE

Weirdness:

> containsElements("C10H10F3N3", "F3")
[1] FALSE
> containsElements("C10H10F3N3", "F2")
[1] TRUE

[meowcat]

MetaboCoreUtils/R/chemFormula.R

Line 173 in e3a622b

FUN = function(xx, yy)all(.sum_elements(c(xx, -yy)) > 0),

should be >=0