comparison enumerate.xml @ 3:cda3af74acca draft default tip

planemo upload for repository https://github.com/brsynth/molecule-signature commit f9e708319991416e6931e9acd5619c472f3d3792

2:35c07741031b

            --alphabet 'alphabet.npz'
            --output '$output_enumerate_tsv'
    ]]></command>
    <inputs>
        <param name="input_smiles_str" type="text" label="SMILES of the molecule">
            <validator type="empty_field" message="You must provide the InChI string" />
            <validator type="length" max="999" message="Length of SMILES is comprised between [1-999]" />
            <validator type="regex" message="Wildcards are not allowed">^[^*?]*$</validator>
            <sanitizer sanitize="false" />
        </param>
        <param name="input_alphabet_npz" type="data" format="npz" label="Alphabet file" />
    </inputs>

3:cda3af74acca

            --alphabet 'alphabet.npz'
            --output '$output_enumerate_tsv'
    ]]></command>
    <inputs>
        <param name="input_smiles_str" type="text" label="SMILES of the molecule">
            <validator type="empty_field" message="You must provide the SMILES string" />
            <validator type="regex" message="Wildcards are not allowed">^[^*?]*$</validator>
            <sanitizer sanitize="false" />
        </param>
        <param name="input_alphabet_npz" type="data" format="npz" label="Alphabet file" />
    </inputs>