- add test for shiftMassAxis()

tests/testthat/test-shiftMassAxis.R

@@ -0,0 +1,66 @@
+test_that("shiftMassAxis stops correctly", {
+  data(Blank2022spec)
+
+  # length(spec) != length(mzdiff)
+  expect_error(shiftMassAxis(spec = Blank2022spec, mzdiff = 1))
+})
+
+test_that("shiftMassAxis works for single spectra/peaks", {
+  data(Blank2022spec)
+  data(Blank2022peaks)
+
+  # spectra
+  shifted <- shiftMassAxis(spec = Blank2022spec[[1]], mzdiff = 1)
+  expect_true(length(MALDIquant::mass(shifted)) == length(MALDIquant::mass(Blank2022spec[[1]])))
+  # round because it seems that 1 some times is not 1...
+  expect_true(all(round(MALDIquant::mass(shifted) - MALDIquant::mass(Blank2022spec[[1]])) == 1))
+
+
+  # peaks
+  shifted <- shiftMassAxis(spec = Blank2022peaks[[1]], mzdiff = 1)
+  expect_true(length(MALDIquant::mass(shifted)) == length(MALDIquant::mass(Blank2022peaks[[1]])))
+  expect_true(all(round(MALDIquant::mass(shifted) - MALDIquant::mass(Blank2022peaks[[1]])) == 1))
+})
+
+test_that("shiftMassAxis works for spectra/peak-lists", {
+  data(Blank2022spec)
+  data(Blank2022peaks)
+
+  # spectra
+  len <- length(Blank2022spec)
+  shifted <- shiftMassAxis(spec = Blank2022spec, mzdiff = rep(1, len))
+  expect_true(length(shifted) == length(Blank2022spec))
+
+  lengthCorrect <- vapply(1:len, 
+                       function(i) {
+                         length(MALDIquant::mass(shifted[[i]])) == length(MALDIquant::mass(Blank2022spec[[i]]))
+                       }, 
+                       FUN.VALUE = logical(1))
+  expect_true(all(lengthCorrect))
+
+  shiftCorrect <- vapply(1:len, 
+                          function(i) {
+                            all(round(MALDIquant::mass(shifted[[i]]) - MALDIquant::mass(Blank2022spec[[i]])) == 1)
+                          }, 
+                          FUN.VALUE = logical(1))
+  expect_true(all(shiftCorrect))
+
+  # peaks
+  len <- length(Blank2022peaks)
+  shifted <- shiftMassAxis(spec = Blank2022peaks, mzdiff = rep(1, len))
+  expect_true(length(shifted) == length(Blank2022peaks))
+
+  lengthCorrect <- vapply(1:len, 
+                          function(i) {
+                            length(MALDIquant::mass(shifted[[i]])) == length(MALDIquant::mass(Blank2022peaks[[i]]))
+                          }, 
+                          FUN.VALUE = logical(1))
+  expect_true(all(lengthCorrect))
+
+  shiftCorrect <- vapply(1:len, 
+                         function(i) {
+                           all(round(MALDIquant::mass(shifted[[i]]) - MALDIquant::mass(Blank2022peaks[[i]])) == 1)
+                         }, 
+                         FUN.VALUE = logical(1))
+  expect_true(all(shiftCorrect))
+})