Mercurial > repos > tomnl > create_msp

diff spectral_matching.R @ 5:278a7e7a84cf draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit e6935a8c6a3da23f47a753ab5a8159fa9d165535
author tomnl
date Fri, 11 May 2018 05:59:39 -0400
parents 4b417094bf71
children
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--- a/spectral_matching.R	Tue May 08 05:28:37 2018 -0400
+++ b/spectral_matching.R	Fri May 11 05:59:39 2018 -0400
@@ -1,4 +1,5 @@
 library(msPurity)
+library(msPurityData)
 library(optparse)
 print(sessionInfo())
 
@@ -6,7 +7,7 @@
 option_list <- list(
   make_option(c("-o", "--out_dir"), type="character"),
   make_option("--target_db_pth", type="character"),
-  make_option("--library_db_pth", type="character"),
+  make_option("--library_db_pth", type="character", default=NA),
   make_option("--ra_thres_l", default=0),
   make_option("--ra_thres_t", default=2),
   make_option("--cores", default=1),