# HG changeset patch
# User bgruening
# Date 1584993455 14400
# Node ID 71bc02c59d3afad9e79c522d9a0e96048efcdc9f
# Parent  40ff81f67f5e44cc360d4ec8a49bcea984925a5d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4"

diff -r 40ff81f67f5e -r 71bc02c59d3a sdf_to_tab.py
--- a/sdf_to_tab.py	Sat Mar 21 14:03:27 2020 -0400
+++ b/sdf_to_tab.py	Mon Mar 23 15:57:35 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")
diff -r 40ff81f67f5e -r 71bc02c59d3a sdf_to_tab.xml
--- a/sdf_to_tab.xml	Sat Mar 21 14:03:27 2020 -0400
+++ b/sdf_to_tab.xml	Mon Mar 23 15:57:35 2020 -0400
@@ -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>