order.formula {RMassBank}R Documentation

Order a chemical formula correctly

Description

Orders a chemical formula in the commonly accepted order (CH followed by alphabetic ordering).

Usage

order.formula(formula, as.formula = TRUE, as.list = FALSE)

Arguments

formula

A molecular formula in string or list representation ("C6H6" or list(C=6,H=6)).

as.formula

If TRUE, the return value is returned as a string. This is the default.

as.list

If TRUE, the return value is returned in list representation.

Author(s)

Michele Stravs

See Also

list.to.formula, add.formula, is.valid.formula

Examples


#
order.formula("H4C9")
order.formula("C2N5HClBr")
[Package RMassBank version 2.16.0 Index]