ListFormula: Convert an Elemental Formula to a List
Description
Convert a character string representing an elemental
formula to a list representing the elemental formula. The list can be
used as input to other functions.
Usage
ListFormula(elemental.formula)
Arguments
elemental.formula
character string representing the elemental formula.
Details
To maintain compatibility with MolecularWeight,
MonoisotopicMass, and IsotopicDistribution
the elemental formula can contain only C,H,N,O,S,P,Br,Cl,F,Si, and
Sn (Sn is a default element in MolecularWeight only). Elements not in this set will be ignored and a warning will be
generated. The function can handle repeated elements, but not element
multiplication indicated by parenthesis.
Known issue: Lower case letters after numbers, such as the o in
C12oBr5H5 will not be caught with a warning and the resulting
list will contain the incorrect number of elements.