<tool id="rpcompletion" name="Complete Reactions" version="@TOOL_VERSION@" profile="19.09">
    <description>From the output of RP2Paths and RetroPath2.0, generate SBML unique and complete (with cofactors) pathways with mono-component reactions</description>
    <macros>
        <token name="@TOOL_VERSION@">5.12.1</token>
    </macros>
    <requirements>
        <requirement type="package" version="@TOOL_VERSION@">rptools</requirement>
    </requirements>
    <stdio>
        <exit_code range="1" level="fatal" description="Could not Xref compartment_id" />
        <exit_code range="2" level="fatal" description="ValueError returned" />
    </stdio>
    <command detect_errors="exit_code"><![CDATA[
        python -m rptools.rpcompletion
        '$rp2_pathways'
        '$sink'
        '$rp2paths_compounds'
        '$rp2paths_pathways'
        completed_pathways
        --upper_flux_bound '$adv.upper_flux_bound'
        --lower_flux_bound '$adv.lower_flux_bound'
        --max_subpaths_filter '$adv.max_subpaths_filter'
    ]]></command>
    <inputs>
        <param name="rp2paths_pathways" type="data" format="csv" label="RP2paths pathways" />
        <param name="rp2paths_compounds" type="data" format="tsv" label="RP2paths compounds" />
        <param name="rp2_pathways" type="data" format="csv" label="RetroPath2.0 metabolic network" />
        <param name="sink" type="data" format="csv" label="Sink from SBML" />
        <section name="adv" title="Advanced Options" expanded="false">
            <param name="max_subpaths_filter" type="integer" value="10" label="Max subpaths generated per pathway" />
            <param name="upper_flux_bound" type="integer" value="999999" label="Upper flux bound" />
            <param name="lower_flux_bound" type="integer" value="0" label="Lower flux bound" />
        </section>
    </inputs>
    <outputs>
        <collection name="pathways" type="list" label="${tool.name}">
            <discover_datasets pattern="(?P&lt;designation&gt;.+)\.xml" format="xml" directory="completed_pathways" visible="false" />
        </collection>
    </outputs>
    <tests>
        <test>
        <!-- test 1: check if identical outputs are produced with default parameters  -->
            <param name="rp2paths_pathways" value="4-rp2paths_pathways.csv" />
            <param name="rp2paths_compounds" value="3-rp2paths_compounds.tsv" />
            <param name="rp2_pathways" value="1-rp2_metnet.csv" />
            <param name="sink" value="2-sink.csv" />
            <output_collection name="pathways" type="list">
                <element name="rp_001_0001" ftype="xml" file="rp_001_0001.xml" sort="true"/>
                <element name="rp_001_0006" ftype="xml" file="rp_001_0006.xml" sort="true"/>
                <element name="rp_001_0011" ftype="xml" file="rp_001_0011.xml" sort="true"/>
                <element name="rp_002_0001" ftype="xml" file="rp_002_0001.xml" sort="true"/>
                <element name="rp_002_0011" ftype="xml" file="rp_002_0011.xml" sort="true"/>
                <element name="rp_002_0021" ftype="xml" file="rp_002_0021.xml" sort="true"/>
                <element name="rp_003_0001" ftype="xml" file="rp_003_0001.xml" sort="true"/>
                <element name="rp_003_0131" ftype="xml" file="rp_003_0131.xml" sort="true"/>
                <element name="rp_003_0261" ftype="xml" file="rp_003_0261.xml" sort="true"/>
            </output_collection>
        </test>
    </tests>
    <help><![CDATA[
rpCompletion
============

Completes mono-component reactions output by RetroPath2.0 with the appropriate cofactors. Creates sub-paths when multiple reaction rules are associated with a single reaction. Input is a single pathways file produced by RP2Paths. It stands on rpCache which store pre-computed data.

Input
-----

Required:

* **rp2_pathways**: (string) Path to the RetroPath2.0 pathways file
* **rp2_sink**: (string) Path to the rpextractsink file containing infos on molecules in the sink
* **rp2paths_compounds**: (string) Path to the rp2paths compounds file
* **rp2paths_pathways**: (string) Path to the rp2paths pathways file
* **outdir**: (string) Path to the output directory containing sbml completed pathways

Advanced options:

* **-upper_flux_bound**: (integer, default=9999) Upper flux bound value
* **-lower_flux_bound**: (integer, default=0) Lower flux bound value
* **-max_subpaths_filter**: (integer, default=10, 0=nofilter) Number of subpaths per path

Project Links
---------------------
* `GitHub <https://github.com/brsynth/rptools>`_

Version
----------

5.12.1

Authors
-------

* **Melchior du Lac**
* **Joan Hérisson**

Acknowledgments
---------------

* Thomas Duigou

Licence
-------

`MIT <https://github.com/brsynth/rptools/blob/master/LICENSE>`_

    ]]></help>
</tool>