Merge pull request #26 from jasenfinch/devel

v1.7.5
aberHRML · Apr 29, 2021 · 855fcb0 · 855fcb0
2 parents 8efd211 + e4ddde2
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diff --git a/DESCRIPTION b/DESCRIPTION
@@ -1,6 +1,6 @@
 Package: mzAnnotation
 Title: Signal Annotation Tools for High Resolution Metabolomics
-Version: 1.7.4
+Version: 1.7.5
 Authors@R: 
     person(given = "Jasen",
            family = "Finch",

diff --git a/NEWS.md b/NEWS.md
@@ -1,3 +1,7 @@
+# mzAnnotation 1.7.5
+
+* Fixed error in `relationshipCalculator()` for empty returns. 
+
 # mzAnnotation 1.7.4
 
 * Remove `modes` argument form `relationshipCalcualtor()`.

diff --git a/R/relationshipCalculator.R b/R/relationshipCalculator.R
@@ -52,27 +52,29 @@ relationshipCalculator <- function(mz, limit = 0.001, adducts = c("[M-H]1-","[M+
            contains('Isotope'),
            contains('Transformation'),Error)
 
-  unique_rel <- relationships %>% 
-    select(contains('ID')) %>% 
-    mutate(fill = 1) %>%
-    spread(ID2,fill) %>%
-    {
-      id1 <- select(., ID1)
-      . <- select(.,-ID1)
-
-      .[lower.tri(.)] <- NA
-      . <- bind_cols(.,id1)
-      .
-    } %>%
-    gather(ID2,fill,-ID1) %>%
-    drop_na() %>%
-    select(-fill) %>% 
-    mutate(ID2 = as.numeric(ID2))
-
-  relationships <- relationships %>% 
-    inner_join(unique_rel,
-                     by = c("ID1", "ID2")) %>% 
-    select(-contains('ID'))
+  if (nrow(relationships) > 1){
+    unique_rel <- relationships %>% 
+      select(contains('ID')) %>% 
+      mutate(fill = 1) %>%
+      spread(ID2,fill) %>%
+      {
+        id1 <- select(., ID1)
+        . <- select(.,-ID1)
+
+        .[lower.tri(.)] <- NA
+        . <- bind_cols(.,id1)
+        .
+      } %>%
+      gather(ID2,fill,-ID1) %>%
+      drop_na() %>%
+      select(-fill) %>% 
+      mutate(ID2 = as.numeric(ID2))
+
+    relationships <- relationships %>% 
+      inner_join(unique_rel,
+                 by = c("ID1", "ID2")) %>% 
+      select(-contains('ID')) 
+  }
 
   return(relationships)
 }

diff --git a/docs/404.html b/docs/404.html
diff --git a/docs/LICENSE-text.html b/docs/LICENSE-text.html
diff --git a/docs/authors.html b/docs/authors.html
diff --git a/docs/index.html b/docs/index.html
diff --git a/docs/news/index.html b/docs/news/index.html
diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml
@@ -2,7 +2,7 @@ pandoc: 2.11.2
 pkgdown: 1.6.1
 pkgdown_sha: ~
 articles: {}
-last_built: 2021-04-29T17:14Z
+last_built: 2021-04-29T19:13Z
 urls:
   reference: https://jasenfinch.github.io/mzAnnotation//reference
   article: https://jasenfinch.github.io/mzAnnotation//articles

diff --git a/docs/reference/MetaboliteDatabase-class.html b/docs/reference/MetaboliteDatabase-class.html
diff --git a/docs/reference/PIPsearch.html b/docs/reference/PIPsearch.html
diff --git a/docs/reference/adductTransformMF.html b/docs/reference/adductTransformMF.html
diff --git a/docs/reference/adducts.html b/docs/reference/adducts.html
diff --git a/docs/reference/aminoAcids.html b/docs/reference/aminoAcids.html
diff --git a/docs/reference/calcAccurateMass.html b/docs/reference/calcAccurateMass.html
diff --git a/docs/reference/calcAdducts.html b/docs/reference/calcAdducts.html
diff --git a/docs/reference/calcM.html b/docs/reference/calcM.html
diff --git a/docs/reference/calcMZ.html b/docs/reference/calcMZ.html
diff --git a/docs/reference/convert.html b/docs/reference/convert.html
diff --git a/docs/reference/descriptors.html b/docs/reference/descriptors.html
diff --git a/docs/reference/elements.html b/docs/reference/elements.html
diff --git a/docs/reference/filterACCESSIONS.html b/docs/reference/filterACCESSIONS.html
diff --git a/docs/reference/filterER.html b/docs/reference/filterER.html
diff --git a/docs/reference/filterIP.html b/docs/reference/filterIP.html
diff --git a/docs/reference/filterMF.html b/docs/reference/filterMF.html
diff --git a/docs/reference/filterMR.html b/docs/reference/filterMR.html
diff --git a/docs/reference/generateMF.html b/docs/reference/generateMF.html
diff --git a/docs/reference/getAccessions.html b/docs/reference/getAccessions.html
diff --git a/docs/reference/getDescriptors.html b/docs/reference/getDescriptors.html
diff --git a/docs/reference/index.html b/docs/reference/index.html
diff --git a/docs/reference/ionisationProducts.html b/docs/reference/ionisationProducts.html
diff --git a/docs/reference/isotopeDistribution.html b/docs/reference/isotopeDistribution.html
diff --git a/docs/reference/isotopes.html b/docs/reference/isotopes.html
diff --git a/docs/reference/metaboliteDB.html b/docs/reference/metaboliteDB.html
diff --git a/docs/reference/ppmError.html b/docs/reference/ppmError.html
diff --git a/docs/reference/ppmRange.html b/docs/reference/ppmRange.html
diff --git a/docs/reference/relationshipCalculator.html b/docs/reference/relationshipCalculator.html