Merge pull request #492 from RECETOX/hechth/issue491

fix use_theoretical_mz_annotations tools
RECETOX · Feb 26, 2024 · 2b0be68 · 2b0be68
2 parents 2a2f699 + bb5edcd
commit 2b0be68
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diff --git a/tools/misc/macros.xml b/tools/misc/macros.xml
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">0.3.4</token>
+    <token name="@TOOL_VERSION@">1.0.0</token>
     <xml name="creator">
         <creator>
             <person

diff --git a/tools/misc/use_theoretical_mz_annotations.xml b/tools/misc/use_theoretical_mz_annotations.xml
@@ -1,12 +1,12 @@
-<tool id="use_theoretical_mz" name="use theoretical m/z values" version="@TOOL_VERSION@+galaxy4" profile="21.09">
+<tool id="use_theoretical_mz_annotations" name="use theoretical m/z values" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>Overwrite experimentally measured mz values for peaks with theoretical values from peak comments.</description>
     <macros>
         <import>macros.xml</import>
     </macros>
     <expand macro="creator"/>
 
     <command detect_errors="exit_code"><![CDATA[
-    python '$__tool_directory__/use_theoretical_mz_annotations.py'
+    python3 '$__tool_directory__/use_theoretical_mz_annotations.py'
     -i '${input}'
     -o '${output_data}' 
     #if $only_theoretical_annotated