Mercurial > repos > computational-metabolomics > mspurity_dimspredictpuritysingle

diff createDatabase.R @ 4:84d4e78d49f2 draft

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"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cbbd708ea1e93b1b1643f6bf6da72af65ffd9950"
author computational-metabolomics
date Mon, 10 Aug 2020 08:27:57 -0400
parents 379b5c1dbe19
children 090775983be7
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line diff
--- a/createDatabase.R	Thu Apr 09 14:24:53 2020 -0400
+++ b/createDatabase.R	Mon Aug 10 08:27:57 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'){