comparison get_clusters.xml @ 2:e0ecaf2d05fb draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"

1:078dfd7fb26d

<tool id="biomd_extract_clusters" name="Extract clusters of MD trajectories" version="0.@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
    <description>from linkage matrix data</description>
    <macros>
        <token name="@TOOL_VERSION@">1.5.2</token>
        <token name="@GALAXY_VERSION@">0</token>
    </macros>
    <requirements>
        <requirement type="package" version="@TOOL_VERSION@">scipy</requirement>
        <requirement type="package" version="1.19.1">numpy</requirement>
        <requirement type="package" version="3.3.1">matplotlib</requirement>

            --min-members '$min_members'
            --output '$output'
]]></command>
    <inputs>
        <param label="Clustering linkage array" format="tabular" type="data" name="Z" argument="--Z"/>
        <param label="Distance cutoff" value="0" type="integer" name="threshold" argument="--threshold"/>
        <param label="Minimum number of members of the cluster" value="0" type="integer" name="min_members" argument="--min-members"/>
    </inputs>
    <outputs>
        <data label="Cluster members (JSON)" format="json" name="output"/>
    </outputs>

2:e0ecaf2d05fb

<tool id="biomd_extract_clusters" name="Extract clusters of MD trajectories" version="0.@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
    <description>from linkage matrix data</description>
    <macros>
        <token name="@TOOL_VERSION@">1.5.2</token>
        <token name="@GALAXY_VERSION@">1</token>
    </macros>
    <requirements>
        <requirement type="package" version="@TOOL_VERSION@">scipy</requirement>
        <requirement type="package" version="1.19.1">numpy</requirement>
        <requirement type="package" version="3.3.1">matplotlib</requirement>

            --min-members '$min_members'
            --output '$output'
]]></command>
    <inputs>
        <param label="Clustering linkage array" format="tabular" type="data" name="Z" argument="--Z"/>
        <param label="Distance cutoff" value="0" type="float" name="threshold" argument="--threshold"/>
        <param label="Minimum number of members of the cluster" value="0" type="integer" name="min_members" argument="--min-members"/>
    </inputs>
    <outputs>
        <data label="Cluster members (JSON)" format="json" name="output"/>
    </outputs>