# HG changeset patch
# User bgruening
# Date 1584993489 14400
# Node ID d68bf44e1f5cb00bafcd5a8f9cea6423ec53f83c
# Parent  1cf3bab54ddd981e38b972a0d54568d4a63278c7
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4"

diff -r 1cf3bab54ddd -r d68bf44e1f5c sdf_to_tab.py
--- a/sdf_to_tab.py	Sat Mar 21 14:04:00 2020 -0400
+++ b/sdf_to_tab.py	Mon Mar 23 15:58:09 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")