Nothing
test_that("msentropy_similarity works", {
x <- cbind(mz = c(169.071, 186.066, 186.0769),
intensity = c(7.917962, 1.021589, 100.0))
y <- cbind(mz = c(120.212, 169.071, 186.066),
intensity <- c(37.16, 66.83, 999.0))
res <- msentropy_similarity(x, y)
ref <- calculate_entropy_similarity(x, y, ms2_tolerance_in_da = 0.02,
ms2_tolerance_in_ppm = -1,
clean_spectra = TRUE,
min_mz = 0, max_mz = 1000,
noise_threshold = 0.01,
max_peak_num = 100)
expect_equal(res, ref)
res <- msentropy_similarity(x, y, ms2_tolerance_in_da = -1,
ms2_tolerance_in_ppm = 20)
ref <- calculate_entropy_similarity(x, y, ms2_tolerance_in_da = -1,
ms2_tolerance_in_ppm = 20,
clean_spectra = TRUE,
min_mz = 0, max_mz = 1000,
noise_threshold = 0.01,
max_peak_num = 100)
expect_equal(res, ref)
res <- msentropy_similarity(x, y, weighted = FALSE)
ref <- calculate_unweighted_entropy_similarity(
x, y, ms2_tolerance_in_da = 0.02,
ms2_tolerance_in_ppm = -1,
clean_spectra = TRUE,
min_mz = 0, max_mz = 1000,
noise_threshold = 0.01,
max_peak_num = 100)
expect_equal(res, ref)
})
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