Mercurial > repos > bimib > cobraxy
view COBRAxy/custom_data_generator.xml @ 11:6d1ae6c226c8 draft
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author | luca_milaz |
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date | Wed, 18 Sep 2024 12:32:45 +0000 |
parents | deb6d3439342 |
children | c5dbdbb64cef |
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<tool id="CustomDataGenerator" name="Custom Data Generator" version="2.0.0"> <macros> <import>marea_macros.xml</import> </macros> <requirements> <requirement type="package" version="1.24.4">numpy</requirement> <requirement type="package" version="2.0.3">pandas</requirement> <requirement type="package" version="0.29.0">cobra</requirement> <requirement type="package" version="5.2.2">lxml</requirement> </requirements> <command detect_errors="exit_code"> <![CDATA[ python $__tool_directory__/custom_data_generator.py --input $input --name $input.element_identifier --output_format $output_format --out_log $log ]]> </command> <inputs> <param name="input" argument="--input" type="data" format="xml, json" label="Custom model:" /> <param name="name" argument="--name" type="text" label="Model's name:" value="Model" help="Default: Model" /> <param name="output_format" argument="--output_format" type="select" label="Output files format:"> <option value="p" selected="true">pickle extension (binary, non-editable, pre-parsed)</option> <option value="csv">Comma Separated Values (csv text file, editable, raw)</option> </param> </inputs> <outputs> <data format="txt" name="log" label="CustomDataGenerator - $name - Log" /> <collection name="results" type="list" label="Custom Data Results ($output_format)"> <discover_datasets name = "collection" pattern="__name_and_ext__" directory="result"/> </collection> </outputs> <help> <![CDATA[ What it does ------------- This tool generates four files containing reactions, rules, reaction bounds and medium composition respectively, starting from a custom model in JSON or XML format. Reactions and rules can be used as inputs for the RAS and RPS generator tools. Accepted files: - A model: JSON or XML file reporting reactions and rules contained in the model. Output: ------------- The tool generates: - rules: reporting the rules for each reaction in the custom model given. Format: csv or pickle. - reactions: reporting the reactions in the custom model given. Format: csv or pickle. - reaction bounds: reporting the lower and upper bounds of each model reaction. Format: csv or pickle. - medium composition: reporting the list of exchange/transport reactions. Format: csv or pickle. - a log file (.txt). ]]> </help> <expand macro="citations" /> </tool>