tests/testthat/test_multi_pseudoVoigt.R

In pmbrophy/SummitR: Provides a set of tools for peak fitting

context("multi_pseudoVoigt")

library(DescTools)
test_that("multi_pseudoVoigt returns correct data formats when used to generate probability density function", {
  xVec <- seq(from = 1, to = 300, by = 0.1)

  expect_error(multi_pseudoVoigt(x = xVec, mus = c(20, 40, 60), sigmas = c(1, 2, 4), gammas = c(4, 2, 1), probDensity = TRUE, returnComponentPks = FALSE))

  pdist <- multi_pseudoVoigt(x = xVec, mus = c(145, 140, 150), sigmas = c(1, 2, 4), gammas = c(1.5, 2, 1), probDensity = TRUE, returnComponentPks = FALSE)
  pdist_components <- multi_pseudoVoigt(x = xVec, mus = c(145, 140, 150), sigmas = c(1, 2, 4), gammas = c(1.5, 2, 1), probDensity = TRUE, returnComponentPks = TRUE)
  area <- AUC(x = xVec, y = pdist, from = 1, to = 100)

  expect_vector(pdist)
  expect_true(is.data.frame(pdist_components))
  expect_equal(length(xVec), length(pdist))
  expect_true(area > 0.996 & area < 1)
  expect_true(all(pdist == pdist_components$peak_sum))
})

test_that("multi_pseudoVoigt returns correct data formats when used to generate gaussian peaks", {
  xVec <- seq(from = 1, to = 100, by = 0.1)

  expect_error(multi_pseudoVoigt(x = xVec, mus = c(20, 40, 60), sigmas = c(1, 2, 4), gammas = c(1.5, 2, 1), probDensity = FALSE, returnComponentPks = FALSE))
  expect_error(multi_pseudoVoigt(x = xVec, mus = c(20, 40, 60), sigmas = c(1, 2, 4), gammas = c(1.5, 2, 1), probDensity = FALSE, returnComponentPks = TRUE))

  gpeak <- multi_pseudoVoigt(x = xVec, mus = c(20, 40, 60), sigmas = c(1, 2, 4), gammas = c(1.5, 2, 1), probDensity = FALSE, returnComponentPks = FALSE, ks = c(1, 5, 10))
  gpeak_components <- multi_pseudoVoigt(x = xVec, mus = c(20, 40, 60), sigmas = c(1, 2, 4), gammas = c(1.5, 2, 1), probDensity = FALSE, returnComponentPks = TRUE, ks = c(1, 5, 10))

  expect_vector(gpeak)
  expect_true(is.data.frame(gpeak_components))
  expect_equal(length(xVec), length(gpeak))
  expect_true(all(gpeak == gpeak_components$peak_sum))
})