v1.12.1+galaxy0 (#36)

* Version bumpy

* Update readme

* update test for createMSP

* Update readme

Author: Tomnl

README.rst

@@ -3,13 +3,13 @@ msPurity for Galaxy
 |Build Status (Travis)| |Git| |Bioconda| |License|
 
 
-Version v1.12.0+galaxy1
+Version v1.12.1+galaxy0
 ------
 
   - msPurity
-     - bioconductor-mspurity v1.12.0
+     - bioconductor-mspurity v1.12.1
   - Galaxy tools
-     - v1
+     - v0
 
 About
 ------
@@ -55,12 +55,14 @@ Authors, contributors & contacts
 
 Changes
 -------------------------
+v1.12.1-galaxy0
+  - Update to version v1.12.1 of `msPurity <https://github.com/computational-metabolomics/msPurity/pull/71>`_
+
 v1.12.0-galaxy1
   - Bug fix (offsets were not being automatically selected for purityA) thanks jsaintvanne
   - Exit script without error for flagRemove
   - Username updated in Toolshed yaml
 
-
 v1.12.0-galaxy0
   - Updates for Bioconductor stable msPurity v1.12.0 release 
   - Additional columns added for spectral matching (for msnpy use case)

tools/msPurity/macros.xml

@@ -1,7 +1,7 @@
 <?xml version="1.0"?>
 <macros>
-    <token name="@TOOL_VERSION@">1.12.0</token>
-    <token name="@GALAXY_TOOL_VERSION@">1</token>
+    <token name="@TOOL_VERSION@">1.12.1</token>
+    <token name="@GALAXY_TOOL_VERSION@">0</token>
 
     <xml name="requirements">
         <requirements>

tools/msPurity/test-data/createMSP_output_av_all_metadata.msp

@@ -10,7 +10,7 @@ CH$LINK: INCHIKEY VACCAVUAMIDAGB-UHFFFAOYSA-N
 CH$LINK: PUBCHEM CID:5328
 CH$NAME Unknown
 XCMS groupid (grpid): 12
-COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0 
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.1 
 PK$NUM_PEAK: 2
 PK$PEAK: m/z int. rel.int.
 112.050884246826	502873.46875	100
@@ -28,7 +28,7 @@ CH$LINK: INCHIKEY VACCAVUAMIDAGB-UHFFFAOYSA-N
 CH$LINK: PUBCHEM CID:5328
 CH$NAME Unknown
 XCMS groupid (grpid): 12
-COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0 
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.1 
 PK$NUM_PEAK: 2
 PK$PEAK: m/z int. rel.int.
 112.050884246826	502873.46875	100