Merge pull request #107 from rformassspectrometry/phili

Fix: keep structure if only one adduct

DESCRIPTION

@@ -1,6 +1,6 @@
 Package: MetaboAnnotation
 Title: Utilities for Annotation of Metabolomics Data
-Version: 1.5.7
+Version: 1.5.8
 Description:
     High level functions to assist in annotation of (metabolomics) data sets.
     These include functions to perform simple tentative annotations based on

NEWS.md

@@ -1,9 +1,15 @@
 # MetaboAnnotation 1.5
 
+## Changes in 1.5.8 
+
+- Fix `.randomize_grouping` to prevent collapsing of matrix when input in a
+  single column
+
 ## Changes in 1.5.7
 
-- Add function `.group_standards_iteration` and `.randomize_grouping` to allow iteration through matrix 
-  of standards and group them if they are dissimilar enough.
+- Add function `.group_standards_iteration` and `.randomize_grouping` to allow
+  iteration through matrix of standards and group them if they are dissimilar
+  enough.
 
 ## Changes in 1.5.6
 

R/group_standards.R

@@ -113,12 +113,12 @@
                                               min_nstd)) {
 
         i <- i +1
-        x <- x[sample(n), ]
+        x <- x[sample(n), , drop = FALSE]
         standard_groups <- .group_standards_iteration(x, 
                                                       max_nstd = max_nstd,
                                                       min_diff = min_diff)
         if (i > n*n)
-            stop("all combination were tested, no possibility to fit your input requirement")
+            stop("all combination were tested, no possibility to fit your input requirements")
     }  
     standard_groups
-}
+}