| Previous changeset 2:40ff81f67f5e (2020-03-21) Next changeset 4:55553120df69 (2020-07-28) |
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Commit message:
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4" |
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modified:
sdf_to_tab.py sdf_to_tab.xml |
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| 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 |
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| @@ -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") |
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| 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 |
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| @@ -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> |