tests/testthat/test_mass.R

In mstaniak/proteomics_examples: Useful Functions For Proteomics Data Analysis and Simulations

context("Test monoisotopic mass calculation")

data('monoisotopic_masses')
monoisotopic_masses <- ProteomicsExamples::monoisotopic_masses

testthat::test_that("Mass is calculated correctly", {
  testthat::expect_equal(
    unlist(5*monoisotopic_masses[monoisotopic_masses$one_letter_code == "C",
                                 "monoisotopic_mass"],
           use.names = F),
    calculate_monoisotopic_mass("CCCCC") - (2*1.007825035 + 15.99491463)
  )
  testthat::expect_equal(
    sum(unlist(monoisotopic_masses[monoisotopic_masses$one_letter_code %in%
                                     c("C", "K", "R", "Q", "P"),
                                   "monoisotopic_mass"],
           use.names = F)),
    calculate_monoisotopic_mass("CKRQP") - (2*1.007825035 + 15.99491463)
  )
})