Mercurial > repos > bgruening > opsin

changeset 6:b450399d01c2

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Uploaded
author bgruening
date Sat, 25 May 2013 12:57:14 -0400
parents 402ac94eb80d
children 65743328baf8
files opsin.xml repository_dependencies.xml
diffstat 2 files changed, 7 insertions(+), 2 deletions(-) [+]
line wrap: on
line diff
--- a/opsin.xml	Thu May 23 17:31:49 2013 -0400
+++ b/opsin.xml	Sat May 25 12:57:14 2013 -0400
@@ -22,7 +22,12 @@
         <param name='wildcards' type='boolean' label='Radicals are output as wildcard atoms' truevalue='--wildcardRadicals' falsevalue='' />
     </inputs>
     <outputs>
-        <data format="tabular" name="outfile" />
+        <data format="smi" name="outfile">
+            <change_format>
+                <when input="oformat" value="cml" format="cml"/>
+                <when input="oformat" value="inchi" format="inchi"/>
+            </change_format>
+        </data>
     </outputs>
     <tests>
         <test>
--- a/repository_dependencies.xml	Thu May 23 17:31:49 2013 -0400
+++ b/repository_dependencies.xml	Sat May 25 12:57:14 2013 -0400
@@ -1,4 +1,4 @@
 <?xml version="1.0"?>
 <repositories description="This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format).">
-    <repository changeset_revision="bd886859b184" name="molecule_datatypes" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
+    <repository changeset_revision="c5383bd4d006" name="molecule_datatypes" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
 </repositories>