Previous changeset 10:dae135dfd519 (2021-11-30) Next changeset 12:fdf2cc80adb5 (2021-12-21) |
Commit message:
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 0941b05e72c90bcf5521efa52767390864be5033" |
modified:
energy.xml macros.xml |
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diff -r dae135dfd519 -r 58c3e6711e94 energy.xml --- a/energy.xml Tue Nov 30 15:30:43 2021 +0000 +++ b/energy.xml Wed Dec 01 15:33:31 2021 +0000 |
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@@ -1,7 +1,7 @@ <tool id="gmx_energy" name="Extract energy components with GROMACS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> <macros> <import>macros.xml</import> - <token name="@GALAXY_VERSION@">0</token> + <token name="@GALAXY_VERSION@">1</token> </macros> <expand macro="requirements" /> @@ -76,17 +76,12 @@ <option value="xvg">GROMACS XVG format</option> <option value="tabular" selected="true">Galaxy tabular</option> </param> - - <expand macro="log" /> + <expand macro="xvg_or_tab" /> + <expand macro="log" /> </inputs> <outputs> - <data name="output1" format="xvg" from_work_dir="energy.xvg"> - <filter>fmt == 'xvg'</filter> - </data> - <data name="output2" format="tabular" from_work_dir="energy.tabular"> - <filter>fmt == 'tabular'</filter> - </data> + <expand macro="xvg_or_tab_outputs" name="energy" label="GROMACS energy components on ${on_string}"/> <expand macro="log_outputs" /> </outputs> <tests> |
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diff -r dae135dfd519 -r 58c3e6711e94 macros.xml --- a/macros.xml Tue Nov 30 15:30:43 2021 +0000 +++ b/macros.xml Wed Dec 01 15:33:31 2021 +0000 |
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@@ -77,6 +77,22 @@ </data> </xml> + <xml name="xvg_or_tab"> + <param argument="fmt" type='select' label="Output format" help="Format for output; either standard GROMACS XVG, or Galaxy tabular file."> + <option value="xvg">GROMACS XVG format</option> + <option value="tabular" selected="true">Galaxy tabular</option> + </param> + </xml> + + <xml name="xvg_or_tab_outputs" token_name="" token_label=""> + <data name="output1" format="xvg" from_work_dir="@NAME@.xvg" label="@LABEL@"> + <filter>fmt == 'xvg'</filter> + </data> + <data name="output2" format="tabular" from_work_dir="@NAME@.tabular" label="@LABEL@"> + <filter>fmt == 'tabular'</filter> + </data> + </xml> + <xml name="test_params"> <param name="mdpfile" value="default" /> <param name="step_length" value="0.002"/> |