Mercurial > repos > bgruening > molecule_datatypes

changeset 7:c5383bd4d006

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Uploaded
author bgruening
date Sat, 25 May 2013 12:53:46 -0400
parents bd886859b184
children 72452a15bb2b
files datatypes_conf.xml
diffstat 1 files changed, 27 insertions(+), 26 deletions(-) [+]
line wrap: on
line diff
--- a/datatypes_conf.xml	Thu May 23 17:28:16 2013 -0400
+++ b/datatypes_conf.xml	Sat May 25 12:53:46 2013 -0400
@@ -5,45 +5,46 @@
    </datatype_files>
    <registration>
         <!--Cheminformatics Datatypes -->
+        <datatype extension="smi" type="galaxy.datatypes.molecules:SMILES" display_in_upload="True">
+            <!-- The ordering is important. The first one is considered as default converter in the build-in conversion function -> (as sdf)-->
+            <converter file="smi_to_sdf_converter.xml" target_datatype="sdf"/>
+            <converter file="smi_to_inchi_converter.xml" target_datatype="inchi"/>
+            <converter file="smi_to_cml_converter.xml" target_datatype="cml"/>
+            <converter file="smi_to_mol_converter.xml" target_datatype="mol"/>
+            <converter file="smi_to_mol2_converter.xml" target_datatype="mol2"/>
+            <converter file="smi_to_smi_converter.xml" target_datatype="smi"/>
+        </datatype>
+        <datatype extension="sdf" type="galaxy.datatypes.molecules:SDF" display_in_upload="True">
+            <converter file="sdf_to_smi_converter.xml" target_datatype="smi"/>
+            <converter file="sdf_to_inchi_converter.xml" target_datatype="inchi"/>
+            <converter file="sdf_to_mol2_converter.xml" target_datatype="mol2"/>
+            <converter file="sdf_to_cml_converter.xml" target_datatype="cml"/>
+        </datatype>
+        <datatype extension="inchi" type="galaxy.datatypes.molecules:InChI" display_in_upload="True">
+            <converter file="inchi_to_smi_converter.xml" target_datatype="smi"/>
+            <converter file="inchi_to_sdf_converter.xml" target_datatype="sdf"/>
+            <converter file="inchi_to_mol_converter.xml" target_datatype="mol"/>
+            <converter file="inchi_to_mol2_converter.xml" target_datatype="mol2"/>
+            <converter file="inchi_to_cml_converter.xml" target_datatype="cml"/>
+        </datatype>
         <datatype extension="mol" type="galaxy.datatypes.molecules:MOL" display_in_upload="True">
+            <converter file="mol_to_smi_converter.xml" target_datatype="smi"/>
             <converter file="mol_to_inchi_converter.xml" target_datatype="inchi"/>
             <converter file="mol_to_mol2_converter.xml" target_datatype="mol2"/>
-            <converter file="mol_to_smi_converter.xml" target_datatype="smi"/>
             <converter file="mol_to_cml_converter.xml" target_datatype="cml"/>
         </datatype>
         <datatype extension="mol2" type="galaxy.datatypes.molecules:MOL2" display_in_upload="False">
+            <converter file="mol2_to_smi_converter.xml" target_datatype="smi"/>
+            <converter file="mol2_to_sdf_converter.xml" target_datatype="sdf"/>
             <converter file="mol2_to_inchi_converter.xml" target_datatype="inchi"/>
             <converter file="mol2_to_mol_converter.xml" target_datatype="mol"/>
-            <converter file="mol2_to_smi_converter.xml" target_datatype="smi"/>
-            <converter file="mol2_to_sdf_converter.xml" target_datatype="sdf"/>
             <converter file="mol2_to_cml_converter.xml" target_datatype="cml"/>
         </datatype>
-        <datatype extension="inchi" type="galaxy.datatypes.molecules:InChI" display_in_upload="True">
-            <converter file="inchi_to_mol_converter.xml" target_datatype="mol"/>
-            <converter file="inchi_to_mol2_converter.xml" target_datatype="mol2"/>
-            <converter file="inchi_to_smi_converter.xml" target_datatype="smi"/>
-            <converter file="inchi_to_sdf_converter.xml" target_datatype="sdf"/>
-            <converter file="inchi_to_cml_converter.xml" target_datatype="cml"/>
-        </datatype>
-        <datatype extension="smi" type="galaxy.datatypes.molecules:SMILES" display_in_upload="True">
-            <converter file="smi_to_mol_converter.xml" target_datatype="mol"/>
-            <converter file="smi_to_mol2_converter.xml" target_datatype="mol2"/>
-            <converter file="smi_to_inchi_converter.xml" target_datatype="inchi"/>
-            <converter file="smi_to_sdf_converter.xml" target_datatype="sdf"/>
-            <converter file="smi_to_smi_converter.xml" target_datatype="smi"/>
-            <converter file="smi_to_cml_converter.xml" target_datatype="cml"/>
-        </datatype>
-        <datatype extension="sdf" type="galaxy.datatypes.molecules:SDF" display_in_upload="True">
-            <converter file="sdf_to_inchi_converter.xml" target_datatype="inchi"/>
-            <converter file="sdf_to_smi_converter.xml" target_datatype="smi"/>
-            <converter file="sdf_to_mol2_converter.xml" target_datatype="mol2"/>
-            <converter file="sdf_to_cml_converter.xml" target_datatype="cml"/>
-        </datatype>
         <datatype extension="cml" type="galaxy.datatypes.molecules:CML" display_in_upload="True">
+            <converter file="cml_to_smi_converter.xml" target_datatype="smi"/>
             <converter file="cml_to_inchi_converter.xml" target_datatype="inchi"/>
-            <converter file="cml_to_smi_converter.xml" target_datatype="smi"/>
+            <converter file="cml_to_sdf_converter.xml" target_datatype="sdf"/>
             <converter file="cml_to_mol2_converter.xml" target_datatype="mol2"/>
-            <converter file="cml_to_sdf_converter.xml" target_datatype="sdf"/>
         </datatype>
         <datatype extension="fps" type="galaxy.datatypes.molecules:FPS" mimetype="text/html" display_in_upload="True" />
         <datatype extension="obfs" type="galaxy.datatypes.molecules:OBFS" mimetype="text/html" display_in_upload="False" />