# HG changeset patch
# User bgruening
# Date 1584993367 0
# Node ID a24a6f9471649650719a71101d814fa0fdd3d428
# Parent  d9c753ebb6533f2d3dffee5273b1f1a63cc8eb70
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4"

diff -r d9c753ebb653 -r a24a6f947164 sdf_to_tab.py
--- a/sdf_to_tab.py	Sat Mar 21 18:02:09 2020 +0000
+++ b/sdf_to_tab.py	Mon Mar 23 19:56:07 2020 +0000
@@ -26,7 +26,8 @@
             print("Molecule could not be read - skipped.")
 
     df = df.astype({'Index': int}).set_index('Index')
-    df.to_csv(vars.out, sep='\t', header=vars.header)
+    sorted_cols = sorted(df.columns.values.tolist())
+    df.to_csv(vars.out, sep='\t', header=vars.header, columns=sorted_cols)
 
 def main():
     parser = argparse.ArgumentParser(description="Convert SDF to tabular")
diff -r d9c753ebb653 -r a24a6f947164 sdf_to_tab.xml
--- a/sdf_to_tab.xml	Sat Mar 21 18:02:09 2020 +0000
+++ b/sdf_to_tab.xml	Mon Mar 23 19:56:07 2020 +0000
@@ -1,4 +1,4 @@
-<tool id="sdf_to_tab" name="Extract values from an SD-file" version="@VERSION@.1">
+<tool id="sdf_to_tab" name="Extract values from an SD-file" version="@VERSION@.2">
     <macros>
         <token name="@VERSION@">2019.03.1</token>
     </macros>