--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/recetox_xmsannotator_simple.xml	Tue Aug 25 11:45:18 2020 +0000
@@ -0,0 +1,29 @@
+<tool id="recetox_xmsannotator_simple" name="xmsannotator - simple" version="deployment">
+    <macros>
+        <import>recetox_xmsannotator_macros.xml</import>
+    </macros>
+
+    <expand macro="requirements"/>
+
+    <command detect_errors="aggressive"><![CDATA[
+        Rscript -e 'annotation <- xmsannotator::simple_annotation(
+                        data = arrow::read_feather("$peaks"),
+                        metabolites = rhdf5::h5read("$metabolites", "metabolites"),
+                        mz_tolerance_ppm = as.double($mz_tolerance)
+                   )'
+                -e 'arrow::write_feather(annotation, "$annotation")'
+    ]]></command>
+
+    <inputs>
+        <expand macro="peaks"/>
+        <expand macro="metabolites"/>
+        <expand macro="mz_tolerance"/>
+    </inputs>
+
+    <outputs>
+        <expand macro="annotation_output"/>
+    </outputs>
+
+    <help><![CDATA[]]></help>
+    <expand macro="citations"/>
+</tool>
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