[Cdk-commits] CVS: cdk-taverna/examples/workflows SMILES2MDL.xml,1.1,1.2

[Egon W. <eg...@us...>]

Update of /cvsroot/cdk/cdk-taverna/examples/workflows
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv23987/examples/workflows

Modified Files:
	SMILES2MDL.xml 
Log Message:
Split up tasks in older SMILES2MDL workflow using the two new workers

Index: SMILES2MDL.xml
===================================================================
RCS file: /cvsroot/cdk/cdk-taverna/examples/workflows/SMILES2MDL.xml,v
retrieving revision 1.1
retrieving revision 1.2
diff -u -r1.1 -r1.2
--- SMILES2MDL.xml	1 Apr 2005 08:33:13 -0000	1.1
+++ SMILES2MDL.xml	1 Apr 2005 20:12:40 -0000	1.2
@@ -1,13 +1,47 @@
 <?xml version="1.0" encoding="UTF-8"?>

 <s:scufl xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha" version="0.2" log="0">

-  <s:workflowdescription lsid="urn:lsid:www.mygrid.org.uk:operation:5HPE4VST1S0" author="" title="" />

-  <s:processor name="Convert_Smiles_to_Connection_Tables">

+  <s:workflowdescription lsid="urn:lsid:www.mygrid.org.uk:operation:NFGAPNTTY60" author="" title="" />

+  <s:processor name="Convert_Smiles_to_Molecule">

     <s:local>org.openscience.cdk.applications.taverna.ParseSmiles</s:local>

   </s:processor>

-  <s:link source="SMILES_LIST" sink="Convert_Smiles_to_Connection_Tables:smilesList" />

-  <s:link source="Convert_Smiles_to_Connection_Tables:connectionTables" sink="CT_OUTPUT" />

+  <s:processor name="Convert_Molecule_to_MDL_molfile">

+    <s:local>org.openscience.cdk.applications.taverna.ConvertToMDLMolfile</s:local>

+  </s:processor>

+  <s:processor name="Create_2D_coordinates">

+    <s:local>org.openscience.cdk.applications.taverna.Create2DCoordinates</s:local>

+  </s:processor>

+  <s:processor name="Convert_Molecule_to_MDL_molfile1">

+    <s:local>org.openscience.cdk.applications.taverna.ConvertToMDLMolfile</s:local>

+  </s:processor>

+  <s:link source="SMILES_LIST" sink="Convert_Smiles_to_Molecule:smilesList" />

+  <s:link source="Convert_Smiles_to_Molecule:FailedSMILES" sink="SMILES_FAILED" />

+  <s:link source="Convert_Molecule_to_MDL_molfile:MDLMolfiles" sink="MDL_MOLFILES" />

+  <s:link source="Convert_Smiles_to_Molecule:SucceededSMILES" sink="Create_2D_coordinates:structureSet" />

+  <s:link source="Create_2D_coordinates:structureSet" sink="Convert_Molecule_to_MDL_molfile:structureSet" />

+  <s:link source="Create_2D_coordinates:failed" sink="Convert_Molecule_to_MDL_molfile1:structureSet" />

+  <s:link source="Convert_Molecule_to_MDL_molfile1:MDLMolfiles" sink="2DLAYOUT_FAILED" />

   <s:source name="SMILES_LIST" />

-  <s:sink name="CT_OUTPUT" />

+  <s:sink name="SMILES_FAILED">

+    <s:metadata>

+      <s:mimeTypes>

+        <s:mimeType>chemical/x-daylight-smiles</s:mimeType>

+      </s:mimeTypes>

+    </s:metadata>

+  </s:sink>

+  <s:sink name="MDL_MOLFILES">

+    <s:metadata>

+      <s:mimeTypes>

+        <s:mimeType>chemical/x-mdl-molfile</s:mimeType>

+      </s:mimeTypes>

+    </s:metadata>

+  </s:sink>

+  <s:sink name="2DLAYOUT_FAILED">

+    <s:metadata>

+      <s:mimeTypes>

+        <s:mimeType>chemical/x-mdl-molfile</s:mimeType>

+      </s:mimeTypes>

+    </s:metadata>

+  </s:sink>

 </s:scufl>