larch_artemis: larch_artemis.xml annotate

annotate larch_artemis.xml @ 7:e0407f36fcea draft default tip

planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 7f52c8654581d23a2acffc818e0c197cf8e04504

author	muon-spectroscopy-computational-project
date	Tue, 03 Sep 2024 11:51:27 +0000
parents	d17c5d62802f
children

rev	line source
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	1 <tool id="larch_artemis" name="Larch Artemis" version="@TOOL_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	2 <description>generate Artemis projects from XAFS data</description>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	3 <macros>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	4 <!-- version of underlying tool (PEP 440) -->
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	5 <token name="@TOOL_VERSION@">0.9.80</token>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	6 <!-- version of this tool wrapper (integer) -->
7 e0407f36fcea planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 7f52c8654581d23a2acffc818e0c197cf8e04504 muon-spectroscopy-computational-project parents: 6 diff changeset	7 <token name="@WRAPPER_VERSION@">2</token>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	8 <!-- citation should be updated with every underlying tool version -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	9 <!-- typical fields to update are version, month, year, and doi -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	10 <token name="@TOOL_CITATION@">10.1088/1742-6596/430/1/012007</token>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	11 </macros>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	12 <creator>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	13 <person givenName="Patrick" familyName="Austin" url="https://github.com/patrick-austin" identifier="https://orcid.org/0000-0002-6279-7823"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	14 </creator>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	15 <requirements>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	16 <requirement type="package" version="@TOOL_VERSION@">xraylarch</requirement>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	17 <requirement type="package" version="3.5.2">matplotlib</requirement>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	18 <requirement type="package" version="3.0">zip</requirement>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	19 </requirements>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	20 <required_files>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	21 <include type="literal" path="larch_artemis.py"/>
1 84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	22 <include type="literal" path="common.py"/>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	23 </required_files>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	24 <command detect_errors="exit_code"><![CDATA[
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	25 unzip '$feff_paths'
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	26 && mkdir report rmr chikr
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	27 #if $execution.execution=="series":
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	28 #if $execution.format.format=="zipped":
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	29 && unzip '$execution.format.prj_file'
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	30 && python '${__tool_directory__}/larch_artemis.py' prj '$gds_file' '$sp_file' '$inputs'
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	31 #else
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	32 && python '${__tool_directory__}/larch_artemis.py' '$execution.format.prj_file' '$gds_file' '$sp_file' '$inputs'
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	33 #end if
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	34 #elif $execution.execution=="simultaneous":
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	35 && python '${__tool_directory__}/larch_artemis.py' _ '$gds_file' '$sp_file' '$inputs'
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	36 #else
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	37 && python '${__tool_directory__}/larch_artemis.py' '$execution.prj_file' '$gds_file' '$sp_file' '$inputs'
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	38 #end if
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	39 #if $zip_outputs:
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	40 && zip out_zip.zip report/* rmr/* chikr/* >/dev/null
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	41 #end if
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	42 ]]></command>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	43 <configfiles>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	44 <inputs name="inputs" data_style="paths"/>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	45 </configfiles>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	46 <inputs>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	47 <conditional name="execution">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	48 <param name="execution" type="select" display="radio" label="Execution mode" help="Whether to execute: on individual Athena projects as parallel jobs, on several projects using a simultaneous fit, or as one job with each project fit occurring in series.">
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	49 <option value="parallel" selected="true">Parallel</option>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	50 <option value="simultaneous">Simultaneous</option>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	51 <option value="series">Series</option>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	52 </param>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	53 <when value="parallel">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	54 <param name="prj_file" type="data" format="prj" label="Athena project file" help="Normalised X-ray Absorption Fine Structure (XAFS) data, in Athena project format. If a collection of files is provided, these will be submitted and executed in parallel."/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	55 </when>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	56 <when value="simultaneous">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	57 <repeat name="simultaneous" title="Simultaneous datasets" min="1" default="1">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	58 <param name="prj_file" type="data" format="prj" label="Athena project files" help="Normalised X-ray Absorption Fine Structure (XAFS) data, in Athena project format. These will be submitted as a single job performing a simultaneous fit."/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	59 <repeat name="paths" title="Path IDs to select" min="1" default="1">
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	60 <param name="path_id" type="integer" value="1" min="1" label="Path ID"/>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	61 </repeat>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	62 </repeat>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	63 </when>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	64 <when value="series">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	65 <conditional name="format">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	66 <param name="format" type="select" display="radio" label="Data format">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	67 <option value="prj" selected="true">Athena projects (.prj)</option>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	68 <option value="zipped">Zipped</option>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	69 </param>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	70 <when value="prj">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	71 <param name="prj_file" type="data" format="prj" multiple="true" label="Athena project files" help="Normalised X-ray Absorption Fine Structure (XAFS) data, in Athena project format. These will be submitted as a single job working in series, enabling early stopping criteria."/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	72 </when>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	73 <when value="zipped">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	74 <param name="prj_file" type="data" format="zip" label="Zipped Athena outputs" help="Normalised X-ray Absorption Fine Structure (XAFS) data, in Athena project format, and zipped. These will be submitted as a single job working in series, enabling early stopping criteria."/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	75 </when>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	76 </conditional>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	77 <param name="stop_on_error" type="boolean" label="Stop on error" help="Whether to stop gracefully or continue with subsequent projects if an error is encountered when fitting."/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	78 <repeat name="report_criteria" title="Report Criteria">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	79 <param name="variable" type="text" label="Variable" help="Name of the variable of that appears in the statistics or variables sections of the report."/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	80 <conditional name="action">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	81 <param name="action" type="select" display="radio" label="Action" help="What to do with the named variable.">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	82 <option value="log" selected="true">Log</option>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	83 <option value="warn">Warn</option>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	84 <option value="stop">Early stopping</option>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	85 </param>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	86 <when value="log"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	87 <when value="warn">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	88 <param name="threshold" type="float" value="0.0" min="0.0" label="Warning threshold" help="In addition to logging, a warning will be printed if the absolute value of this variable goes above this threshold."/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	89 </when>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	90 <when value="stop">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	91 <param name="threshold" type="float" value="0.0" min="0.0" label="Early stopping threshold" help="In addition to logging, execution will stop if the absolute value of this variable goes above this threshold."/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	92 </when>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	93 </conditional>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	94 </repeat>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	95 </when>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	96 </conditional>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	97 <param name="feff_paths" type="data" format="zip" label="FEFF paths file" help="Zipped directory of the FEFF paths."/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	98 <param name="gds_file" type="data" format="gds" label="GDS parameters file" help="File defining the fitting parameters as a `guess` (to be varied in the fit), `def` (defined by an expression evaluated throughout fitting) or `set` (evaluated at the start of fitting, then left unchanged)."/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	99 <param name="sp_file" type="data" format="sp" label="SP parameters file" help="File defining the scattering paths."/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	100 <section name="fit_vars" title="Fitting Variables">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	101 <param argument="fitspace" type="select" help="Space in which the fitting is performed.">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	102 <option value="r" selected="true">Real</option>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	103 <option value="k">Unfiltered k-space</option>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	104 <option value="q">Filtered k-space</option>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	105 <option value="w">Wavelet transform</option>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	106 </param>
1 84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	107 <param argument="kmin" type="float" value="0" min="0.0" help="Minimum k value."/>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	108 <param argument="kmax" type="float" value="20" min="0.0" help="Maximum k value."/>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	109 <param argument="kweight" type="float" value="2" help="Exponent for weighting spectra by raising k to this power."/>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	110 <param argument="dk" type="float" value="4" help="Tapering parameter for Fourier Transform window."/>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	111 <param argument="window" type="select" help="Fourier Transform window type.">
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	112 <option value="hanning">Hanning (cosine-squared taper)</option>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	113 <option value="parzen">Parzen (linear taper)</option>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	114 <option value="welch">Welch (quadratic taper)</option>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	115 <option value="gaussian">Gaussian function window</option>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	116 <option value="sine">Sine function window</option>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	117 <option value="kaiser" selected="true">Kaiser-Bessel function-derived window</option>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	118 </param>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	119 <param argument="rmin" type="float" value="0.0" min="0.0" help="Minimum radial distance."/>
84c8e04bc1a1 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 1cf6d7160497ba58fe16a51f00d088a20934eba6 muon-spectroscopy-computational-project parents: 0 diff changeset	120 <param argument="rmax" type="float" value="10.0" min="0.0" help="Maximum radial distance."/>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	121 </section>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	122 <param name="plot_graph" type="boolean" label="Plot graph" help="Whether to plot the data."/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	123 <param name="zip_outputs" type="boolean" label="Zip outputs" help="Whether to zip all outputs into one dataset."/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	124 </inputs>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	125 <outputs>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	126 <data name="out_zip" format="zip" from_work_dir="out_zip.zip" label="Zipped Artemis outputs on ${on_string}">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	127 <filter>zip_outputs</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	128 </data>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	129 <data name="fit_report" format="feffit" from_work_dir="report/fit_report.txt" label="Fit report on ${on_string}">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	130 <filter>execution["execution"]!="series"</filter>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	131 <filter>not zip_outputs</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	132 </data>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	133 <data name="rmr" format="png" from_work_dir="rmr/rmr.png" label="RMR plot on ${on_string}">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	134 <filter>execution["execution"]!="series"</filter>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	135 <filter>plot_graph</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	136 <filter>not zip_outputs</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	137 </data>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	138 <data name="chikr" format="png" from_work_dir="chikr/chikr.png" label="ChiKR plot on ${on_string}">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	139 <filter>execution["execution"]!="series"</filter>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	140 <filter>plot_graph</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	141 <filter>not zip_outputs</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	142 </data>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	143 <collection name="fit_report_collection" format="feffit" type="list" label="Fit reports on ${on_string}">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	144 <discover_datasets pattern="__name_and_ext__" directory="report"/>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	145 <filter>execution["execution"]=="series"</filter>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	146 <filter>not zip_outputs</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	147 </collection>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	148 <collection name="rmr_collection" format="png" type="list" label="RMR plots on ${on_string}">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	149 <discover_datasets pattern="__name_and_ext__" directory="rmr"/>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	150 <filter>execution["execution"]=="series"</filter>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	151 <filter>plot_graph</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	152 <filter>not zip_outputs</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	153 </collection>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	154 <collection name="chikr_collection" format="png" type="list" label="ChiKR plots on ${on_string}">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	155 <discover_datasets pattern="__name_and_ext__" directory="chikr"/>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	156 <filter>execution["execution"]=="series"</filter>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	157 <filter>plot_graph</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	158 <filter>not zip_outputs</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	159 </collection>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	160 <data name="criteria_report" format="csv" from_work_dir="criteria_report.csv" label="Selected criteria from ${on_string}">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	161 <filter>execution["execution"]=="series"</filter>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	162 <filter>len(execution["report_criteria"])>0</filter>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	163 </data>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	164 </outputs>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	165 <tests>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	166 <!-- Parallel, no plot -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	167 <test expect_num_outputs="1">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	168 <param name="execution" value="parallel"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	169 <param name="prj_file" value="test.prj"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	170 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	171 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	172 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	173 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	174 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	175 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	176 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	177 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	178 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	179 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	180 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	181 <output name="fit_report" file="fit_report.txt" compare="re_match"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	182 </test>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	183 <!-- Parallel, plot -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	184 <test expect_num_outputs="3">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	185 <param name="execution" value="parallel"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	186 <param name="prj_file" value="test.prj"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	187 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	188 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	189 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	190 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	191 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	192 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	193 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	194 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	195 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	196 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	197 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	198 <param name="plot_graph" value="true"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	199 <output name="fit_report" file="fit_report.txt" compare="re_match"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	200 <output name="rmr">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	201 <assert_contents>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	202 <has_size value="50000" delta="10000"/>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	203 </assert_contents>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	204 </output>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	205 <output name="chikr">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	206 <assert_contents>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	207 <has_size value="70000" delta="10000"/>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	208 </assert_contents>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	209 </output>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	210 </test>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	211 <!-- Series, no plot -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	212 <test expect_num_outputs="1">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	213 <param name="execution" value="series"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	214 <param name="prj_file" value="test.prj,test.prj"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	215 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	216 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	217 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	218 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	219 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	220 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	221 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	222 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	223 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	224 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	225 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	226 <output_collection name="fit_report_collection" type="list" count="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	227 </test>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	228 <!-- Series, plot -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	229 <test expect_num_outputs="3">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	230 <param name="execution" value="series"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	231 <param name="prj_file" value="test.prj"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	232 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	233 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	234 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	235 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	236 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	237 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	238 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	239 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	240 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	241 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	242 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	243 <param name="plot_graph" value="true"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	244 <output_collection name="fit_report_collection" type="list" count="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	245 <output_collection name="rmr_collection" type="list" count="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	246 <output_collection name="chikr_collection" type="list" count="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	247 </test>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	248 <!-- Series, plot, continue on error -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	249 <!-- NB: Using NaNs to force an error now causes an error at an earlier stage where it is not caught, so cannot use these tests -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	250 <!-- <test expect_num_outputs="3">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	251 <param name="execution" value="series"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	252 <param name="prj_file" value="NaN.binary,test.prj"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	253 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	254 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	255 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	256 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	257 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	258 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	259 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	260 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	261 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	262 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	263 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	264 <param name="plot_graph" value="true"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	265 <output_collection name="fit_report_collection" type="list" count="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	266 <output_collection name="rmr_collection" type="list" count="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	267 <output_collection name="chikr_collection" type="list" count="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	268 </test> -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	269 <!-- Series, plot, stop on error -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	270 <!-- NB: Using NaNs to force an error now causes an error at an earlier stage where it is not caught, so cannot use these tests -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	271 <!-- <test expect_num_outputs="3">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	272 <param name="execution" value="series"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	273 <param name="prj_file" value="NaN.binary,test.prj"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	274 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	275 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	276 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	277 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	278 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	279 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	280 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	281 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	282 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	283 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	284 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	285 <param name="plot_graph" value="true"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	286 <output_collection name="fit_report_collection" type="list" count="0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	287 <output_collection name="rmr_collection" type="list" count="0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	288 <output_collection name="chikr_collection" type="list" count="0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	289 </test> -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	290 <!-- Series, early stopping -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	291 <test expect_num_outputs="2">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	292 <param name="execution" value="series"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	293 <param name="prj_file" value="test.prj,test.prj"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	294 <param name="variable" value="rfactor"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	295 <param name="action" value="stop"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	296 <param name="variable" value="alpha"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	297 <param name="action" value="log"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	298 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	299 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	300 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	301 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	302 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	303 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	304 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	305 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	306 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	307 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	308 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	309 <output_collection name="fit_report_collection" type="list" count="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	310 <output name="criteria_report" file="criteria_report.csv" compare="re_match"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	311 </test>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	312 <!-- Zipped -->
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	313 <test expect_num_outputs="1">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	314 <param name="execution" value="series"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	315 <param name="format" value="zipped"/>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	316 <param name="prj_file" value="test.zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	317 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	318 <param name="gds_file" value="gds.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	319 <param name="sp_file" value="sp.csv"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	320 <param name="fitspace" value="r"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	321 <param name="kmin" value="3"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	322 <param name="kmax" value="14"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	323 <param name="kweight" value="2"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	324 <param name="dk" value="1"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	325 <param name="window" value="hanning"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	326 <param name="rmin" value="1.4"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	327 <param name="rmax" value="3.0"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	328 <param name="plot_graph" value="true"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	329 <param name="zip_outputs" value="true"/>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	330 <output name="out_zip">
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	331 <assert_contents>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	332 <has_size value="250000" delta="10000"/>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	333 </assert_contents>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	334 </output>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	335 </test>
4 39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	336 <!-- 7: Zipped numerical sort -->
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	337 <test expect_num_outputs="2">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	338 <param name="execution" value="series"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	339 <param name="format" value="zipped"/>
4 39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	340 <param name="prj_file" value="numeric_sort.zip"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	341 <param name="variable" value="rfactor"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	342 <param name="action" value="log"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	343 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	344 <param name="gds_file" value="gds.csv"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	345 <param name="sp_file" value="sp.csv"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	346 <param name="fitspace" value="r"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	347 <param name="kmin" value="3"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	348 <param name="kmax" value="14"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	349 <param name="kweight" value="2"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	350 <param name="dk" value="1"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	351 <param name="window" value="hanning"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	352 <param name="rmin" value="1.4"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	353 <param name="rmax" value="3.0"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	354 <output_collection name="fit_report_collection" type="list" count="3"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	355 <output name="criteria_report" file="numeric_sort_criteria_report.csv" compare="re_match"/>
39ab361e6d59 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 71cee2ed96b69a2e78a1eb3dadbd2e81bf332798 muon-spectroscopy-computational-project parents: 3 diff changeset	356 </test>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	357 <!-- 8: Simultaneous -->
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	358 <test expect_num_outputs="1">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	359 <param name="execution" value="simultaneous"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	360 <repeat name="simultaneous">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	361 <param name="prj_file" value="test.prj"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	362 <repeat name="paths">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	363 <param name="path_id" value="1"/>
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	364 </repeat>
d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	365 <repeat name="paths">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	366 <param name="path_id" value="2"/>
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	367 </repeat>
d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	368 <repeat name="paths">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	369 <param name="path_id" value="3"/>
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	370 </repeat>
d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	371 <repeat name="paths">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	372 <param name="path_id" value="4"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	373 </repeat>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	374 </repeat>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	375 <repeat name="simultaneous">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	376 <param name="prj_file" value="test.prj"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	377 <repeat name="paths">
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	378 <param name="path_id" value="1"/>
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	379 </repeat>
d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	380 <repeat name="paths">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	381 <param name="path_id" value="2"/>
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	382 </repeat>
d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	383 <repeat name="paths">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	384 <param name="path_id" value="3"/>
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	385 </repeat>
d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	386 <repeat name="paths">
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	387 <param name="path_id" value="4"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	388 </repeat>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	389 </repeat>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	390 <param name="feff_paths" value="[FEFF_paths_of_test.inp].zip"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	391 <param name="gds_file" value="gds.csv"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	392 <param name="sp_file" value="sp.csv"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	393 <param name="fitspace" value="r"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	394 <param name="kmin" value="3"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	395 <param name="kmax" value="14"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	396 <param name="kweight" value="2"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	397 <param name="dk" value="1"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	398 <param name="window" value="hanning"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	399 <param name="rmin" value="1.4"/>
7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	400 <param name="rmax" value="3.0"/>
6 d17c5d62802f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit be7fc75b35a77b50a588575ca0749c43f8fd7cf5 muon-spectroscopy-computational-project parents: 5 diff changeset	401 <output name="fit_report" file="fit_report_simultaneous.txt" compare="re_match"/>
5 7acb53ffb96f planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 4814f53888643f1d3667789050914675fffb7d59 muon-spectroscopy-computational-project parents: 4 diff changeset	402 </test>
0 2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	403 </tests>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	404 <help><![CDATA[
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	405 Using Larch, perform fitting on an Athena project file, originally from the input X-ray Absorption Fine Structure (XAFS) data file.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	406
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	407 Optionally, plot the xμ data along with RMR and ChiKR plots for visual inspection of the fit.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	408
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	409 By default, if multiple files or a collection is provided then these jobs will be executed independently, in parallel.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	410
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	411 Alternatively, series execution will submit a single job with each file being executed in order as part of the job.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	412 A single zip file containing multiple Athena projects can also be extracted and run in series.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	413 If a fit is unsuccessful and results in an error, the job can either be stopped there or the fit attempted for the remaining projects.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	414 Criteria of interest from each individual report can be collected and logged.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	415 Additionally, thresholds can be set, with either warnings being printed or the job stopping early if these are exceeded by the criteria of interest.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	416 Parameters in both the "Statistics" and "Variables" sections of the report are supported.
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	417 ]]></help>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	418 <citations>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	419 <citation type="doi">@TOOL_CITATION@</citation>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	420 <citation type="doi">10.1107/S0909049505012719</citation>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	421 </citations>
2752b2dd7ad6 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 5be486890442dedfb327289d597e1c8110240735 muon-spectroscopy-computational-project parents: diff changeset	422 </tool>

Mercurial > repos > muon-spectroscopy-computational-project > larch_artemis

annotate larch_artemis.xml @ 7:e0407f36fcea draft default tip