diff spectral_hk.xml @ 1:454de6290eb0 draft

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/spectral_hk commit a44364ca5bccd47f9f331143e1abb286096e8807

--- a/spectral_hk.xml	Thu Dec 05 18:35:25 2013 -0500
+++ b/spectral_hk.xml	Sat May 20 12:45:15 2017 -0400
@@ -3,13 +3,11 @@
     <requirements>
         <requirement type="package" version="0.1">spectral_hk</requirement>
     </requirements>
-    <command>
-        spectral_hk $input > $output
+    <command detect_errors="aggressive">
+<![CDATA[
+        spectral_hk '$input' > '$output'
+]]>
     </command>
-    <stdio>
-        <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" />
-        <exit_code range=":-1" level="fatal" description="Error occurred. Please check Tool Standard Error" />
-    </stdio>
     <inputs>
         <param format="inchi" name="input" type="data" label="Input File" />
     </inputs>
@@ -19,10 +17,11 @@
     <tests>
       <test>
           <param name="input" value="molecules.inchi" />
-          <output name="output" file="result_spectral_hk.tab" compare="sim_size" />
+          <output name="output" file="result_spectral_hk.tab" />
       </test>
     </tests>
     <help>
+<![CDATA[
 **What it does**
 
 Spectral_hk converts InChIs into spectral hash codes. A spectral hash code is a 30-character (150-bit) alphanumeric hash string that uniquely encodes an InChI. See the following example:
@@ -35,5 +34,8 @@
 
  - https://bitbucket.org/ncgc/spectral_hk/overview
  - http://tripod.nih.gov/
+]]>
     </help>
+    <citations>
+    </citations>
 </tool>