getValid: get valid atomic formulae

Description Usage Arguments Value

View source: R/compute_formula.R

Description

get valid atomic formulae

Usage

1
getValid(flist, DBE = 4, precursor = T)

Arguments

flist

list of molecular formulae

DBE

minimum double bond equivalent

precursor

is a precursor

Value

list containing: forula, DBE, exact_mass


scottwalmsley/wSIMCity documentation built on May 3, 2021, 2:35 p.m.