Mercurial > repos > marie-tremblay-metatoul > nmr_bucketing

changeset 3:58679e85745f draft

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planemo upload for repository https://github.com/workflow4metabolomics/nmr_bucketing commit 7cd224b2cbddcb2535640a3f76194bd235acb602-dirty
author lecorguille
date Fri, 12 Aug 2016 05:47:27 -0400
parents 761312f27add
children d61f6ceef5d6
files NmrBucketing_script.R NmrBucketing_xml.xml README.rst
diffstat 3 files changed, 27 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/NmrBucketing_script.R	Fri Aug 12 03:45:27 2016 -0400
+++ b/NmrBucketing_script.R	Fri Aug 12 05:47:27 2016 -0400
@@ -206,8 +206,11 @@
 
     if (graph == "Overlay")
     {
+      x <- 1:length(bucketedSpectra[,1])
       ymax <- max(bucketedSpectra)
-      plot(1:length(bucketedSpectra[,1]),bucketedSpectra[,1],ylim=c(0,ymax),type='l',col=1,xlab="Chemical shift",ylab="Intensity")
+      plot(x,bucketedSpectra[,1],ylim=c(0,ymax),type='l',col=1,xlab="",xaxt="n",ylab="Intensity")
+      # x-axis labels
+      axis(1, at=seq(1,length(x),by=50),labels=gsub("B","",rownames(bucketedSpectra)[seq(1,length(x),by=50)]), las=2)
       for (i in 2:ncol(bucketedSpectra))
       {
         spectre <- bucketedSpectra[,i]
@@ -219,7 +222,9 @@
     {
       for (i in 1:ncol(bucketedSpectra))
       {
-        plot(1:length(bucketedSpectra[,i]),bucketedSpectra[,i],type='l',col=1,xlab="Chemical shift",ylab="Intensity")
+        x <- 1:length(bucketedSpectra[,1])
+        plot(x,bucketedSpectra[,i],type='l',col=1,xlab="",xaxt="n",ylab="Intensity")
+        axis(1, at=seq(1,length(x),by=50),labels=gsub("B","",rownames(bucketedSpectra)[seq(1,length(x),by=50)]), las=2)
       }
     }
     dev.off()
--- a/NmrBucketing_xml.xml	Fri Aug 12 03:45:27 2016 -0400
+++ b/NmrBucketing_xml.xml	Fri Aug 12 05:47:27 2016 -0400
@@ -1,4 +1,4 @@
-<tool id="NmrBucketing" name="NMR_Bucketing" version="1.0.1">
+<tool id="NmrBucketing" name="NMR_Bucketing" version="1.0.2">
 
     <description> Bucketing and integration of NMR Bruker raw data</description>
 
@@ -270,6 +270,21 @@
 .. image:: ./static/images/Mth_Travaux.png
 :width: 100
 
+---------------------------------------------------
+
+Changelog/News
+--------------
+
+**Version 1.0.2 - 12/08/2016**
+
+- ENHANCEMENT: x-axis customization: add chemical shift labels 
+
+**Version 1.0.1 - 04/04/2016**
+
+- TEST: refactoring to pass planemo test using conda dependencies
+
+
+**Version 2015-01-08 - 08/01/2015**
 
     </help>
     <citations>
--- a/README.rst	Fri Aug 12 03:45:27 2016 -0400
+++ b/README.rst	Fri Aug 12 05:47:27 2016 -0400
@@ -2,6 +2,10 @@
 Changelog/News
 --------------
 
+**Version 1.0.2 - 12/08/2016**
+
+- ENHANCEMENT: x-axis customization: add chemical shift labels 
+
 **Version 1.0.1 - 04/04/2016**
 
 - TEST: refactoring to pass planemo test using conda dependencies