context("FELLA.USER creation from compounds in lists")
# Load data to test
# test.env <- new.env(parent = environment())
test.env <- environment()
data("FELLA.sample", package = "FELLA", envir = test.env)
data("input.sample", package = "FELLA", envir = test.env)
background.sample <- try(FELLA:::getCom(FELLA.sample, 5))
test_that("All compounds map, personalised background", {
FELLA.test <- try(
defineCompounds(
compounds = input.sample,
compoundsBackground = background.sample,
data = FELLA.sample))
expect_s4_class(FELLA.test, "FELLA.USER")
expect_equivalent(getInput(object = FELLA.test),
input.sample)
expect_equivalent(getBackground(object = FELLA.test),
background.sample)
expect_length(getExcluded(object = FELLA.test),
0)
})
test_that("All compounds map, no background", {
expect_message(FELLA.test <- try(
defineCompounds(
compounds = input.sample,
compoundsBackground = NULL,
data = FELLA.sample)),
"No background compounds specified")
expect_s4_class(FELLA.test, "FELLA.USER")
expect_equivalent(getInput(object = FELLA.test),
input.sample)
expect_length(getBackground(object = FELLA.test),
0)
expect_length(getExcluded(object = FELLA.test),
0)
})
test_that("Not all compounds map, no background", {
intruder.sample <- paste0("intruder", 1:10)
expect_warning(FELLA.test <- try(
defineCompounds(
compounds = c(input.sample, intruder.sample),
compoundsBackground = NULL,
data = FELLA.sample)),
"excluded")
expect_s4_class(FELLA.test, "FELLA.USER")
expect_equivalent(sort(getInput(object = FELLA.test)),
sort(input.sample))
expect_length(getBackground(object = FELLA.test),
0)
expect_equivalent(sort(getExcluded(object = FELLA.test)),
sort(intruder.sample))
})
test_that("Not all compounds map, background with mapping issues too", {
intruder1.sample <- paste0("intruder", 1:5)
intruder2.sample <- paste0("intruder", 1:10)
expect_warning(FELLA.test <- try(
defineCompounds(
compounds = c(input.sample, intruder1.sample),
compoundsBackground = c(background.sample, intruder2.sample),
data = FELLA.sample)),
"excluded")
expect_s4_class(FELLA.test, "FELLA.USER")
expect_equivalent(sort(getInput(object = FELLA.test)),
sort(input.sample))
expect_equivalent(sort(getBackground(object = FELLA.test)),
sort(background.sample))
expect_equivalent(sort(getExcluded(object = FELLA.test)),
sort(intruder1.sample))
})
# method <- "diffusion"
# approx <- "normality"
# FELLA.object <- FELLA::enrich(compounds = input.sample,
# method = method,
# approx = approx,
# data = FELLA.sample)
#
#
#
# getCom(data = FELLA.sample, level = "compound")
# summary(getPscores(object = FELLA.object, type = "diffusion"))
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