Merge branch '198_clustering' of github.com:hechth/recetox-aplcms int…

…o 198_clustering

.github/workflows/r-conda.yml

@@ -28,7 +28,7 @@ jobs:
     # Steps represent a sequence of tasks that will be executed as part of the job
     steps:
       # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
 
       - name: Create conda environment
         uses: conda-incubator/setup-miniconda@v2

R/compute_clusters.R

@@ -146,7 +146,7 @@ compute_clusters <- function(feature_tables,
 #' First, the absolute tolerance is computed for each feature, then a new group is started
 #' once the difference between consecutive features is above this threshold.
 #' The same process is then repeated for the retention time dimension.
-#' The individual indices and then combines into a single index in the `cluster` columns.
+#' The individual indices are then combined into a single index in the `cluster` columns.
 #' @param feature_tables list of tibbles List of feature tables coming from all samples.
 #' @param sample_names list of strings Sample names of the feature tables used to distinguish the samples.
 #' @param mz_tol_ppm float Relative tolerance for mz grouping in parts per million.

tests/testthat/test-find.tol.time.R

@@ -17,5 +17,5 @@ test_that("compute_rt_tol_relative computes something", {
     max.bins
   )
 
-  expect_equal(actual, 1.04166666666667)
+  expect_equal(actual, 1.0416)
 })