comparison recetox_aplcms_correct_time.xml @ 9:9064aecc78a7 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_aplcms commit b88eaca14b030fc0023989f3c83479e4975d172a

8:1574b8a29e6f

<tool id="recetox_aplcms_correct_time" name="recetox-aplcms - correct time" version="@TOOL_VERSION@+galaxy3" profile="21.09">
    <description>correct retention time across samples for peak alignment</description>
    <macros>
        <import>macros.xml</import>
        <import>help.xml</import>
    </macros>

              template_features <- load_data_from_parquet_file('$template')

              corrected_table <- correct_time(
                   this.feature = features_table,
                   template_features = template_features,
                   mz_tol_relative = $mz_tol_relative_ppm * 1e-06,
                   rt_tol_relative = $rt_tol
              )

              corrected_table <- save_sample_name(corrected_table, sample_name)
              save_data_as_parquet_file(corrected_table, '$output_file')
         ]]></configfile>

    <inputs>
        <param label="Input clustered features table" name="features_table" type="data" format="parquet"
               help="Mass spectrometry clustered features table." />
        <param label="Input template features table" name="template" type="data" format="parquet"
               help="Template features table." />
        <expand macro="tolerances"/>
    </inputs>

    <outputs>
        <data label="${($features_table.element_identifier).rsplit('.',1)[0]}.parquet" name="output_file" format="parquet" />
    </outputs>

9:9064aecc78a7

<tool id="recetox_aplcms_correct_time" name="recetox-aplcms - correct time" version="@TOOL_VERSION@+galaxy0" profile="21.09">
    <description>correct retention time across samples for peak alignment</description>
    <macros>
        <import>macros.xml</import>
        <import>help.xml</import>
    </macros>

              template_features <- load_data_from_parquet_file('$template')

              corrected_table <- correct_time(
                   this.feature = features_table,
                   template_features = template_features
              )

              corrected_table <- save_sample_name(corrected_table, sample_name)
              save_data_as_parquet_file(corrected_table, '$output_file')
         ]]></configfile>

    <inputs>
        <param label="Input clustered features table" name="features_table" type="data" format="parquet"
               help="Mass spectrometry clustered features table." />
        <param label="Input template features table" name="template" type="data" format="parquet"
               help="Template features table." />
    </inputs>

    <outputs>
        <data label="${($features_table.element_identifier).rsplit('.',1)[0]}.parquet" name="output_file" format="parquet" />
    </outputs>