massDeFormula {wrProteo}

Molecular mass from chemical formula

Description

Calculate molecular mass based on atomic composition

Usage

massDeFormula(
  comp,
  massTy = "mono",
  rmEmpty = FALSE,
  silent = FALSE,
  callFrom = NULL
)

Arguments

comp

(character) atomic compostion

massTy

(character) 'mono' or 'average'

rmEmpty

(logical) suppress empty entries

silent

(logical) suppress messages

callFrom

(character) allow easier tracking of messages produced

Value

This function returns a numeric vector with mass

See Also

convToNum

Examples

massDeFormula(c("12H12O","HO"," 2H 1 Se, 6C 2N","HSeCN"," ","e"))