# HG changeset patch
# User bgruening
# Date 1397738812 14400
# Node ID ec22d245d224b9300ff7ceabc1be9dfff5da9518
# Parent  5f97004c7f57a8454a4b982f58bec35805059536
Uploaded

diff -r 5f97004c7f57 -r ec22d245d224 mol2gspan.xml
--- a/mol2gspan.xml	Tue Apr 15 12:44:17 2014 -0400
+++ b/mol2gspan.xml	Thu Apr 17 08:46:52 2014 -0400
@@ -3,8 +3,15 @@
     <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10" shared_inputs="" merge_outputs="outfile"></parallelism>
     <requirements>
         <requirement type="package" version="2.3.2">openbabel</requirement>
-        <requirement type="set_environment">MOL2GSPAN_SCRIPT_PATH</requirement>
     </requirements>
+    <xml name="stdio">
+        <stdio>
+            <exit_code range="1:" />
+            <exit_code range=":-1" />
+            <regex match="Error" />
+            <regex match="Exception" />
+        </stdio>
+    </xml>
     <command interpreter="python">
         mol2gspan.py 
             --infile $infile
diff -r 5f97004c7f57 -r ec22d245d224 readme.rst
--- a/readme.rst	Tue Apr 15 12:44:17 2014 -0400
+++ b/readme.rst	Thu Apr 17 08:46:52 2014 -0400
@@ -22,6 +22,7 @@
 =======
 
 - v0.1: Initial public release
+- v0.2: Using a more flexible converions approach that do not need to interconvert it to SDF
 
 
 =============
diff -r 5f97004c7f57 -r ec22d245d224 repository_dependencies.xml
--- a/repository_dependencies.xml	Tue Apr 15 12:44:17 2014 -0400
+++ b/repository_dependencies.xml	Thu Apr 17 08:46:52 2014 -0400
@@ -1,5 +1,4 @@
 <?xml version="1.0"?>
-<repositories description="This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format) and the EDeN datatypes.">
+<repositories description="This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format).">
     <repository changeset_revision="8714f927a6ee" name="molecule_datatypes" owner="iuc" toolshed="http://testtoolshed.g2.bx.psu.edu" />
-    <repository changeset_revision="9262f801d739" name="eden_toolbox" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
 </repositories>
diff -r 5f97004c7f57 -r ec22d245d224 tool_dependencies.xml
--- a/tool_dependencies.xml	Tue Apr 15 12:44:17 2014 -0400
+++ b/tool_dependencies.xml	Thu Apr 17 08:46:52 2014 -0400
@@ -3,7 +3,4 @@
     <package name="openbabel" version="2.3.2">
         <repository changeset_revision="8426be5149ce" name="package_openbabel_2_3" owner="iuc" toolshed="http://testtoolshed.g2.bx.psu.edu" />
     </package>
-    <set_environment version="1.0">
-        <environment_variable action="set_to" name="MOL2GSPAN_SCRIPT_PATH">$REPOSITORY_INSTALL_DIR</environment_variable>
-    </set_environment>
 </tool_dependency>