Split Chemical Formula

Source: R/101_deprecated_functions.R

Takes a chemical formula string and breaks it down into its individual elemental components and their respective counts.

split_formula(formula = "C9H11NO2")

Arguments

formula

A character string representing a chemical formula (e.g., "C9H11NO2"). Default is "C9H11NO2".

Value

A data frame with two columns: `element` contains the elemental symbols and `number` contains the respective counts for each element in the formula.

Examples

split_formula(formula = "C9H11NO2")
#>   element number
#> 2       C      9
#> 3       H     11
#> 4       N      1
#> 5       O      2
split_formula(formula = "CH3")
#>   element number
#> 2       C      1
#> 3       H      3
split_formula(formula = "CH3C")
#>   element number
#> 1       C      2
#> 2       H      3