Calculate Mass of a Chemical Formula — calculate

Computes the mass of a given chemical formula based either on the exact mass or the average mass of its constituent elements.

calculate_mass(formula, which = c("exact_mass", "average_mass"))

Arguments

formula: Character string representing the chemical formula for which the mass is to be computed.
which: Character string indicating the type of mass to be computed. Possible values are "exact_mass" or "average_mass". Default is "exact_mass".

Value

A numeric value representing the computed mass of the given chemical formula based on the specified type (exact or average).

Details

Calculate Mass of a Chemical Formula

This function computes the mass of a given chemical formula based on either exact or average mass of its constituent elements.

Author

Xiaotao Shen xiaotao.shen@outlook.com

Examples

calculate_mass("H2O")                      # Using default exact_mass
#>      H2O 
#> 18.01056 
calculate_mass("H2O", which = "average_mass")
#>    H2O 
#> 18.016 
calculate_mass("C6H12O6", which = "exact_mass")
#>  C6H12O6 
#> 180.0634