Repository 'physiofit'
hg clone https://toolshed.g2.bx.psu.edu/repos/workflow4metabolomics/physiofit

Changeset 1:52dddad92226 (2022-11-16)
Previous changeset 0:198d81ccc75e (2022-10-28) Next changeset 2:232ad69fc93c (2024-01-16)
Commit message:
planemo upload for repository https://github.com/MetaSys-LISBP/PhysioFit commit 3d93a125fa9636cc64663a0e94f3e089eb2d8aff
modified:
physiofit.xml
test-data/flux_results.tsv
b
diff -r 198d81ccc75e -r 52dddad92226 physiofit.xml
--- a/physiofit.xml Fri Oct 28 10:25:15 2022 +0000
+++ b/physiofit.xml Wed Nov 16 17:16:06 2022 +0000
[
@@ -1,7 +1,7 @@
 <tool id='physiofit' name='PhysioFit' profile='21.09' version='@TOOL_VERSION@+galaxy0' python_template_version='3.5'>
     <description>Extracellular flux analysis</description>
     <macros>
-        <token name="@TOOL_VERSION@">2.1.0</token>
+        <token name="@TOOL_VERSION@">2.2.1</token>
     </macros>
     <requirements>
         <requirement type='package' version='@TOOL_VERSION@'>physiofit4galaxy</requirement>
@@ -25,7 +25,7 @@
     #end if
 
     #if $basic_settings.deg_select.deg == 'Yes':
-        -d '$basic_setting.degconsts'
+        -d '$basic_settings.deg_select.degconsts'
     #end if
 
     #if $basic_settings.mc_select.montecarlo == 'Yes':
@@ -58,7 +58,7 @@
         -v
     #end if
 
-    -op '$plots' -of '$fluxes' -os '$stats' -oc '$config'
+    -op '$plots' -of '$fluxes' -os '$stats' -oc '$config' 2> $log
 
     ]]></command>
     <inputs>
@@ -88,7 +88,15 @@
                     <option value='Yes'>Yes</option>
                 </param>
                 <when value='Yes'>
-                    <param type='text' name='degconsts' value='{}' label='Enter degradation constants in dictionary format (see docs for more information)'/>
+                    <param type='text' name='degconsts' value='{}' label='Enter degradation constants in dictionary format (see docs for more information)'>
+                        <sanitizer>
+                            <valid>
+                                <add value='"'/>
+                                <add value='{'/>
+                                <add value='}'/>
+                            </valid>
+                        </sanitizer>
+                    </param>
                 </when>
             </conditional>
 
@@ -115,7 +123,15 @@
                     <option value='Yes'>Yes</option>
                 </param>
                 <when value='Yes'>
-                    <param name='stddevs' type='text' value='{}' label='Standard deviation on measurements. Give SDs in dictionary format (see docs for more information)' />
+                    <param name='stddevs' type='text' value='{}' label='Standard deviation on measurements. Give SDs in dictionary format (see docs for more information)'>
+                        <sanitizer>
+                            <valid>
+                                <add value='"'/>
+                                <add value='{'/>
+                                <add value='}'/>
+                            </valid>
+                        </sanitizer>
+                    </param>
                 </when>
             </conditional>
 
@@ -125,7 +141,8 @@
                     <option value='Yes'>Yes</option>
                 </param>
                 <when value='Yes'>
-                    <param name='conc_met_bounds' type='text' value='()' label='Bounds on metabolite concentrations. Bounds should be given in tuple format (see docs for more information)' />
+                    <param name='conc_met_bounds' type='text' value='()' label='Bounds on metabolite concentrations. Bounds should be given in tuple format (see docs for more information)'/>
+
                 </when>
             </conditional>
 
@@ -170,6 +187,7 @@
     <data name='fluxes' label='Flux_results' format='tabular'/>
     <data name='stats' label='Stat_results' format='tabular'/>
     <data name='config' label='Config_file' format='json'/>
+    <data name='log' label='Run_Log' format='txt'/>
     </outputs>
 
     <tests>
@@ -198,6 +216,25 @@
                 </assert_contents>
             </output>
         </test>
+<!--        <test>-->
+<!--            <param name='input_selection|input_selector' value='tsv' />-->
+<!--            <param name='input_selection|datafile' value='KEIO_ROBOT6_1.tsv' />-->
+<!--            <section name='basic_settings'>-->
+<!--                <param name='lag' value='No'/>-->
+<!--                <param name='deg_select|deg' value='No'/>-->
+<!--                <param name='mc_select|montecarlo' value='No'/>-->
+<!--            </section>-->
+<!--            <section name='advanced_settings'>-->
+<!--                <param name='vini' value='1'/>-->
+<!--                <param name='sd_select|sd' value='No'/>-->
+<!--                <param name='cm_select|cm' value='No'/>-->
+<!--                <param name='fm_select|fm' value='No'/>-->
+<!--                <param name='cb_select|cb' value='No'/>-->
+<!--                <param name='fb_select|fb' value='No'/>-->
+<!--                <param name='verbose' value='No'/>-->
+<!--            </section>-->
+<!--            <output name='fluxes' file='flux_results.tsv'/>-->
+<!--        </test>-->
     </tests>
 
     <help><![CDATA[
b
diff -r 198d81ccc75e -r 52dddad92226 test-data/flux_results.tsv
--- a/test-data/flux_results.tsv Fri Oct 28 10:25:15 2022 +0000
+++ b/test-data/flux_results.tsv Wed Nov 16 17:16:06 2022 +0000
b
@@ -1,7 +1,7 @@
  optimal mean sd median CI_2.5 CI_97.5
-X_0 0.019837910042084236 0.020055047719088507 0.001936242015519126 0.020181433524903817 0.016385933648857588 0.023991705722000656
-mu 0.6448503161617235 0.6442401851491355 0.019838552319737378 0.6422759597671867 0.6055123753172559 0.6830180317435467
-Glc_q -6.7962941185743135 -6.774793454329362 0.39318776265927613 -6.801632529773193 -7.486259488979566 -6.0294828984301505
-Glc_M0 13.890941548678349 13.881503136428412 0.2268604387133866 13.89390411710686 13.42167220505119 14.364675598831429
-Ace_q 2.574083305172119 2.5516892907444007 0.34218910204223774 2.5706434692350855 1.8525815217489552 3.109731754802952
-Ace_M0 0.28632420734796105 0.28673563941751923 0.17207412150016024 0.2778487391600317 1e-06 0.6251737133158014
+X_0 0.030057356085279038 0.031020693652716442 0.01248214419475165 0.029507198033154346 0.011641988888053973 0.058342137145944405
+mu 0.5582759125316301 0.5686092117011008 0.08528431418544957 0.5617732771700231 0.4274326438805963 0.7428252946602405
+Glc_q -6.4690012286708845 -6.591939336986598 0.9573465913461194 -6.424216065589273 -8.689007040053548 -5.0804721629347975
+Glc_M0 14.102913181701245 14.093239782222746 0.3546457036884282 14.067487732809713 13.440594995883767 14.729084422532983
+Ace_q 2.4965870596545154 2.476648498253909 0.498894590813266 2.4157877116089033 1.7499997734065047 3.472079451670515
+Ace_M0 0.17844344816654867 0.20546717227239447 0.1953912180223188 0.17549120518463776 1e-06 0.7122213079215097