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WIP: Add trimal #6397

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WIP: Add trimal #6397

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B0r1sD
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@B0r1sD B0r1sD commented Oct 2, 2024

FOR CONTRIBUTOR:

  • I have read the CONTRIBUTING.md document and this tool is appropriate for the tools-iuc repo.
  • License permits unrestricted use (educational + commercial)
  • This PR adds a new tool or tool collection
  • This PR updates an existing tool or tool collection
  • This PR does something else (explain below)

This is a collaboration together with @pauldg and @nicodr97. @pauldg made the original wrapper, that resides at https://github.com/usegalaxy-be/galaxytools/tree/main/trimal.

What I changed so far:

  • Added version macros
  • reStructured text as is was giving warnings when using a bullet list (which looks way nicer for options...) due to a dot being present in some options (e.g. phylip3.2_m10) so changed to a simpler definition list. I didn't manage to escape or cheese the strict formatting rules.
  • Ran the tests, they are successful.
  • Updated profile to 23.00. Think it's best practice to have this Galaxy version as high as possible?
  • Changed citation to simpler DOI style.

Planemo lint now only fails on '<when /> block' not being present at the 'Conditional [trimming_mode]'. Could you add them @nicodr97 or @pauldg as was done at the 'custom' value?

WIP will be removed after these changes and IUC's checklist have been addressed.

Would also like to point out that Trimal 1.5.0 exists, but think we should get 1.4.1 wrapper properly finished and then release a new updated wrapper for the 1.5.0 version.

@B0r1sD B0r1sD marked this pull request as draft October 2, 2024 13:04
long_description: trimAl is a tool for the automated removal of spurious sequences
or poorly aligned regions from a multiple sequence alignment.
name: trimal
owner: padge
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iuc?

@@ -0,0 +1,159 @@
<tool id="trimal" name="trimAl" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="23.00" python_template_version="3.5">
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Suggested change
<tool id="trimal" name="trimAl" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="23.00" python_template_version="3.5">
<tool id="trimal" name="trimAl" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="23.0">

@@ -0,0 +1,159 @@
<tool id="trimal" name="trimAl" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="23.00" python_template_version="3.5">
<description>A tool for automated alignment trimming</description>
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Suggested change
<description>A tool for automated alignment trimming</description>
<description>for automated alignment trimming</description>

<requirement type="package" version="@TOOL_VERSION@">trimal</requirement>
</requirements>
<command detect_errors="exit_code"><![CDATA[
trimal -in $input1 -out $trimmed_output -htmlout $html_summary ${out_format_selector}
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trimal -in $input1 -out $trimmed_output -htmlout $html_summary ${out_format_selector}
trimal -in '$in' -out '$trimmed_output' -htmlout '$html_summary' ${out_format_selector}


]]></command>
<inputs>
<param name="input1" type="data" format="fasta,clustal,pir,phylip,nexus,mega" multiple="false" label="Alignment file (clustal, fasta, NBRF/PIR, nexus, phylip3.2, phylip)" optional="false" />
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Suggested change
<param name="input1" type="data" format="fasta,clustal,pir,phylip,nexus,mega" multiple="false" label="Alignment file (clustal, fasta, NBRF/PIR, nexus, phylip3.2, phylip)" optional="false" />
<param argument="-in" type="data" format="fasta,clustal,pir,phylip,nexus,mega" label="Alignment file (clustal, fasta, NBRF/PIR, nexus, phylip3.2, phylip)" />

<param argument="-simthreshold" type="float" optional="true" value="0.9" min="0.0" max="1.0" label="similarity threshold" help="Minimum average similarity allowed. Range: [0 - 1]" multiple="false"/>
<param argument="-cons" type="integer" optional="true" value="50" min="0" max="100" label="min conservance percentage" help="Minimum percentage of the positions in the original alignment to conserve." multiple="false"/>

</when>
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Suggested change
</when>
</when>
<when value="-nogaps"/>

and the others need to be added

<data name="html_summary" format="html" label="trimal html summary."/>
</outputs>
<tests>
<test>
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please add expected_num_outputs

<when input="out_format_selector" value="-phylip3.2" format="phylip" />
<when input="out_format_selector" value="-phylip3.2_m10" format="phylip" />
<when input="out_format_selector" value="-clustal" format="clustal" />
<when input="out_format_selector" value="-mega" format="mega" />
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does the mega format exists in Galaxy?

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and the othes?

</test>
</tests>
<help><![CDATA[
Modes
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This help is not very useful for users. The parameters are already described. Maybe some text what this tool is doing etc ...

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