Mercurial > repos > tduigou > molecule_signature_enumerate

comparison enumerate.xml @ 2:35c07741031b draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/brsynth/molecule-signature commit b64a61400688127dfce11f04952a368cfe2b900c
author tduigou
date Fri, 07 Feb 2025 12:35:01 +0000
parents 2ed696bb6a6b
children cda3af74acca
comparison
equal deleted inserted replaced
1:2ed696bb6a6b 2:35c07741031b
13 ]]></command> 13 ]]></command>
14 <inputs> 14 <inputs>
15 <param name="input_smiles_str" type="text" label="SMILES of the molecule"> 15 <param name="input_smiles_str" type="text" label="SMILES of the molecule">
16 <validator type="empty_field" message="You must provide the InChI string" /> 16 <validator type="empty_field" message="You must provide the InChI string" />
17 <validator type="length" max="999" message="Length of SMILES is comprised between [1-999]" /> 17 <validator type="length" max="999" message="Length of SMILES is comprised between [1-999]" />
18 <validator type="regex" negate="true" message="Wildcards are not allowed">^(?:\*)$</validator> 18 <validator type="regex" message="Wildcards are not allowed">^[^*?]*$</validator>
19 <sanitizer sanitize="false" /> 19 <sanitizer sanitize="false" />
20 </param> 20 </param>
21 <param name="input_alphabet_npz" type="data" format="npz" label="Alphabet file" /> 21 <param name="input_alphabet_npz" type="data" format="npz" label="Alphabet file" />
22 </inputs> 22 </inputs>
23 <outputs> 23 <outputs>