# HG changeset patch
# User tomnl
# Date 1522165878 14400
# Node ID 1a88758357ed1f09379beb6f92a528c0f5bae3c2
# Parent  fe7d7cc95ca5b107414aff178ba4d416dd9357f0
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2e847122cf605951c334858455fc1d3ebdb189e9-dirty

diff -r fe7d7cc95ca5 -r 1a88758357ed anticipated_purity_dims.R
--- a/anticipated_purity_dims.R	Tue Mar 27 06:03:50 2018 -0400
+++ b/anticipated_purity_dims.R	Tue Mar 27 11:51:18 2018 -0400
@@ -1,5 +1,6 @@
 library(msPurity)
 library(optparse)
+print(sessionInfo())
 
 option_list <- list(
   make_option(c("--mzML_file"), type="character"),
diff -r fe7d7cc95ca5 -r 1a88758357ed anticipated_purity_lcms.R
--- a/anticipated_purity_lcms.R	Tue Mar 27 06:03:50 2018 -0400
+++ b/anticipated_purity_lcms.R	Tue Mar 27 11:51:18 2018 -0400
@@ -1,5 +1,6 @@
 library(msPurity)
 library(optparse)
+print(sessionInfo())
 
 option_list <- list(
   make_option(c("--xset_path"), type="character"),
diff -r fe7d7cc95ca5 -r 1a88758357ed assess_purity_msms.R
--- a/assess_purity_msms.R	Tue Mar 27 06:03:50 2018 -0400
+++ b/assess_purity_msms.R	Tue Mar 27 11:51:18 2018 -0400
@@ -1,5 +1,6 @@
 library(msPurity)
 library(optparse)
+print(sessionInfo())
 
 option_list <- list(
   make_option(c("-o", "--out_dir"), type="character"),
diff -r fe7d7cc95ca5 -r 1a88758357ed create_sqlite_db.R
--- a/create_sqlite_db.R	Tue Mar 27 06:03:50 2018 -0400
+++ b/create_sqlite_db.R	Tue Mar 27 11:51:18 2018 -0400
@@ -2,6 +2,7 @@
 library(optparse)
 library(xcms)
 library(CAMERA)
+print(sessionInfo())
 print('CREATING DATABASE')
 
 
diff -r fe7d7cc95ca5 -r 1a88758357ed frag4feature.R
--- a/frag4feature.R	Tue Mar 27 06:03:50 2018 -0400
+++ b/frag4feature.R	Tue Mar 27 11:51:18 2018 -0400
@@ -1,6 +1,7 @@
 library(optparse)
 library(msPurity)
 library(xcms)
+print(sessionInfo())
 
 xset_pa_filename_fix <- function(opt, pa, xset){
 
diff -r fe7d7cc95ca5 -r 1a88758357ed spectral_matching.R
--- a/spectral_matching.R	Tue Mar 27 06:03:50 2018 -0400
+++ b/spectral_matching.R	Tue Mar 27 11:51:18 2018 -0400
@@ -1,5 +1,7 @@
 library(msPurity)
 library(optparse)
+print(sessionInfo())
+
 
 option_list <- list(
   make_option(c("-o", "--out_dir"), type="character"),
@@ -92,4 +94,4 @@
 print(cmd)
 scan_hits <- DBI::dbGetQuery(con, cmd)
 
-write.table(scan_hits, file.path(opt$out_dir, 'scan_hits.tsv'), row.names=FALSE, sep='\t')
\ No newline at end of file
+write.table(scan_hits, file.path(opt$out_dir, 'scan_hits.tsv'), row.names=FALSE, sep='\t')
diff -r fe7d7cc95ca5 -r 1a88758357ed track_rt_raw.R
--- a/track_rt_raw.R	Tue Mar 27 06:03:50 2018 -0400
+++ b/track_rt_raw.R	Tue Mar 27 11:51:18 2018 -0400
@@ -1,5 +1,7 @@
 library(optparse)
 library(xcms)
+print(sessionInfo())
+
 option_list <- list(
   make_option(c("--xset_path"), type="character"),
   make_option(c("-o", "--out_dir"), type="character")