Mercurial > repos > computational-metabolomics > mspurity_averagefragspectra

diff createDatabase.R @ 4:8442dd3d2136 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cbbd708ea1e93b1b1643f6bf6da72af65ffd9950"
author: computational-metabolomics
date: Mon, 10 Aug 2020 08:34:31 -0400
parents: 96fba93b4c8a
children: 52d48bcd3608
--- a/createDatabase.R	Thu Apr 09 14:16:53 2020 -0400
+++ b/createDatabase.R	Mon Aug 10 08:34:31 2020 -0400
@@ -94,7 +94,11 @@
 
 print(pa@fileList)
 
-
+# Missing list element causes failures (should be updated
+# in msPurity R package for future releases)
+if (!exists('allfrag', where=pa@filter_frag_params)){
+    pa@filter_frag_params$allfrag <- FALSE
+}
 
 if (opt$xcms_camera_option=='xcms'){
author	computational-metabolomics
date	Mon, 10 Aug 2020 08:34:31 -0400
parents	96fba93b4c8a
children	52d48bcd3608