Mercurial > repos > metexplore > met4j
annotate tools/attributes/SbmlSetFormulasFromFile/SbmlSetFormulasFromFile.xml @ 8:1274e2a62479 draft default tip
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit e34acf0f51cafcf6ae7c97b4feb3188a39f17c32
| author | metexplore |
|---|---|
| date | Wed, 26 Jul 2023 15:33:45 +0000 |
| parents | 7a6f2380fc1d |
| children |
| rev | line source |
|---|---|
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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1 <?xml version="1.0" encoding="UTF-8"?> |
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6
7a6f2380fc1d
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy
metexplore
parents:
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2 <tool id="met4j_SbmlSetFormulasFromFile" name="SbmlSetFormulasFromFile" version="MET4J_VERSION_TEST"> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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3 <description>Set Formula to network metabolites from a tabulated file containing the metabolite ids and the formulas</description> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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4 <xrefs> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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5 <xref type="bio.tools">met4j</xref> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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6 </xrefs> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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7 <requirements> |
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6
7a6f2380fc1d
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy
metexplore
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8 <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:MET4J_VERSION_TEST</container> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
diff
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9 </requirements> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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10 <command detect_errors="exit_code"><![CDATA[sh /usr/bin/met4j.sh attributes.SbmlSetFormulasFromFile#if str($colformula) != 'nan': |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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11 -cf "$colformula" |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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12 #end if |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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13 #if str($colid) != 'nan': |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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14 -ci "$colid" |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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15 #end if |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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16 $p |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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17 $s |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
diff
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18 #if str($nSkip): |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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19 -n "$nSkip" |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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20 #end if |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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21 -sbml "$sbml" |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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22 #if str($tab) != 'None': |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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23 -tab "$tab" |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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24 #end if |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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25 #if str($c): |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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26 -c "$c" |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
diff
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27 #end if |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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28 -out "$out" |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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29 ]]></command> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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changeset
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30 <inputs> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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changeset
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31 <param argument="-cf" label="[2] number of the column where are the formulas" name="colformula" optional="true" type="integer" value="2"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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changeset
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32 <param argument="-ci" label="[1] number of the column where are the metabolite ids" name="colid" optional="true" type="integer" value="1"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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33 <param argument="-p" checked="false" falsevalue="" label="[deactivated] To match the objects in the sbml file, adds the prefix M_ to metabolite ids" name="p" truevalue="-p" type="boolean" value="false"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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34 <param argument="-s" checked="false" falsevalue="" label="[deactivated] To match the objects in the sbml file, adds the suffix _comparmentID to metabolites" name="s" truevalue="-s" type="boolean" value="false"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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35 <param argument="-n" label="[0] Number of lines to skip at the beginning of the tabulated file" name="nSkip" optional="true" type="text" value="0"> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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36 <sanitizer invalid_char="_"> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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37 <valid initial="string.printable"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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38 </sanitizer> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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39 </param> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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40 <param argument="-sbml" format="sbml" label="Original sbml file" name="sbml" optional="false" type="data" value=""/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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41 <param argument="-tab" format="tsv" label="Tabulated file" name="tab" optional="true" type="data" value=""/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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42 <param argument="-c" label="[#] Comment String in the tabulated file. The lines beginning by this string won't be read" name="c" optional="true" type="text" value="#"> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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43 <sanitizer invalid_char="_"> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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44 <valid initial="string.printable"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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45 </sanitizer> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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46 </param> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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47 </inputs> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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48 <outputs> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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49 <data format="sbml" name="out"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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50 </outputs> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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51 <tests> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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52 <test> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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53 <param name="sbml" value="toy_model.xml"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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54 <param name="tab" value="formula.tsv"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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55 <output ftype="sbml" name="out"> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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56 <assert_contents> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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57 <is_valid_xml/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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58 <has_line_matching expression=".*CH6O6.*" n="2"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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59 <has_line_matching expression=".*CH12O4.*" n="2"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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60 </assert_contents> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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61 </output> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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62 </test> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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63 <test expect_failure="true"> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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64 <param name="sbml" value="toy_model.xml"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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65 <param name="tab" value="formulaBad.tsv"/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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66 </test> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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67 </tests> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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68 <help><![CDATA[Set Formula to network metabolites from a tabulated file containing the metabolite ids and the formulas |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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69 The ids must correspond between the tabulated file and the SBML file. |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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70 If prefix or suffix is different in the SBML file, use the -p or the -s options. |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
parents:
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71 The formula will be written in the SBML file in two locations:+ |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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72 - in the metabolite notes (e.g. <p>formula: C16H29O2</p> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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73 |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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74 - as a fbc attribute (e.g. fbc:chemicalFormula="C16H29O2")]]></help> |
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9b162ee6ff8e
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 12798951d21c3b2b13514b38148b2848cb422c95
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75 <citations/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
metexplore
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76 </tool> |