# HG changeset patch
# User bgruening
# Date 1584993435 14400
# Node ID 2a868592ebcb25c749f8fc67e96d51b63ff819b8
# Parent  3d96dc99698ffe93b7ba66ba783befad11189cb5
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4"

diff -r 3d96dc99698f -r 2a868592ebcb sdf_to_tab.py
--- a/sdf_to_tab.py	Sat Mar 21 14:03:09 2020 -0400
+++ b/sdf_to_tab.py	Mon Mar 23 15:57:15 2020 -0400
@@ -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")