Mercurial > repos > muon-spectroscopy-computational-project > larch_plot
annotate larch_plot.xml @ 3:5b993aff09e3 draft
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit d4c7e090dc5c94395d7e1574845ac2c76f2e4f5f
author | muon-spectroscopy-computational-project |
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date | Fri, 22 Mar 2024 14:23:33 +0000 |
parents | 59d0d15a40ef |
children | 35d24102cefd |
rev | line source |
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886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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1 <tool id="larch_plot" name="Larch Plot" version="@TOOL_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT"> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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2 <description>plot Athena projects</description> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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3 <macros> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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4 <!-- version of underlying tool (PEP 440) --> |
2
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 0f66842e802430e887d1c6cb7be1cc5436408fd2
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5 <token name="@TOOL_VERSION@">0.9.74</token> |
0
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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6 <!-- version of this tool wrapper (integer) --> |
3
5b993aff09e3
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit d4c7e090dc5c94395d7e1574845ac2c76f2e4f5f
muon-spectroscopy-computational-project
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7 <token name="@WRAPPER_VERSION@">1</token> |
0
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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8 <!-- citation should be updated with every underlying tool version --> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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9 <!-- typical fields to update are version, month, year, and doi --> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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10 <token name="@TOOL_CITATION@">10.1088/1742-6596/430/1/012007</token> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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11 <import>macros.xml</import> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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12 </macros> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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13 <creator> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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14 <person givenName="Patrick" familyName="Austin" url="https://github.com/patrick-austin" identifier="https://orcid.org/0000-0002-6279-7823"/> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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changeset
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15 </creator> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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16 <requirements> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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17 <requirement type="package" version="@TOOL_VERSION@">xraylarch</requirement> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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18 <requirement type="package" version="3.5.2">matplotlib</requirement> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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19 </requirements> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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20 <required_files> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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21 <include type="literal" path="larch_plot.py"/> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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22 <include type="literal" path="common.py"/> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
diff
changeset
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23 </required_files> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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24 <command detect_errors="exit_code"><![CDATA[ |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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25 mkdir plots |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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26 && python '${__tool_directory__}/larch_plot.py' '$dat_files' '$inputs' |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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27 ]]></command> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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28 <configfiles> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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29 <inputs name="inputs"/> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
diff
changeset
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30 </configfiles> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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31 <inputs> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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32 <param name="dat_files" type="data" format="prj" multiple="true" min="1" label="Athena projects" help="X-ray Absorption Spectroscopy (XAS) data, in Athena project format"/> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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33 <repeat name="plots" title="Plots" min="1" default="1" help="Each additional entry will create another output plot"> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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34 <conditional name="variable"> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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35 <param name="variable" type="select" display="radio" label="Variable" help="Variable to plot on the y axis"> |
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5b993aff09e3
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit d4c7e090dc5c94395d7e1574845ac2c76f2e4f5f
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36 <option value="flat" selected="true">Flattened xμ</option> |
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886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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37 <option value="dmude">Derivative of xμ</option> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
parents:
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38 <option value="chir_mag">Magnitude of χ(r)</option> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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39 </param> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit d4c7e090dc5c94395d7e1574845ac2c76f2e4f5f
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40 <when value="flat"> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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41 <expand macro="plot_limits_energy"/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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42 <param name="y_limit_min" type="float" label="Minimum xμ(E)" optional="true" help="If set, plot will be limited to this value on the y axis."/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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43 <param name="y_limit_max" type="float" label="Maximum xμ(E)" optional="true" help="If set, plot will be limited to this value on the y axis."/> |
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886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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44 </when> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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45 <when value="dmude"> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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46 <expand macro="plot_limits_energy"/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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47 <param name="y_limit_min" type="float" label="Minimum d(xμ(E))/dE" optional="true" help="If set, plot will be limited to this value on the y axis."/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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48 <param name="y_limit_max" type="float" label="Maximum d(xμ(E))/dE" optional="true" help="If set, plot will be limited to this value on the y axis."/> |
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886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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49 </when> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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50 <when value="chir_mag"> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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51 <param name="x_limit_min" type="float" label="Minimum r (ang)" optional="true" help="If set, plot will be limited to this value on the x axis."/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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52 <param name="x_limit_max" type="float" label="Maximum r (ang)" optional="true" help="If set, plot will be limited to this value on the x axis."/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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53 <param name="y_limit_min" type="float" label="Minimum |χ(r)|" optional="true" help="If set, plot will be limited to this value on the y axis."/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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54 <param name="y_limit_max" type="float" label="Maximum |χ(r)|" optional="true" help="If set, plot will be limited to this value on the y axis."/> |
0
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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55 </when> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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56 </conditional> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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57 </repeat> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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58 </inputs> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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59 <outputs> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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60 <collection name="plot_collection" format="png" type="list"> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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61 <discover_datasets pattern="__name_and_ext__" directory="plots"/> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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62 </collection> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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63 </outputs> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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64 <tests> |
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65 <!-- 1: plot types --> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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66 <test expect_num_outputs="1"> |
886949a03377
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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67 <param name="dat_files" value="test.prj"/> |
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68 <param name="variable" value="flat"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
muon-spectroscopy-computational-project
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69 <param name="variable" value="dmude"/> |
1
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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70 <param name="variable" value="chir_mag"/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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71 <output_collection name="plot_collection" type="list" count="3"/> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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72 </test> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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73 <!-- 2: plot limits --> |
002c18a3e642
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
muon-spectroscopy-computational-project
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74 <test expect_num_outputs="1"> |
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75 <param name="dat_files" value="test.prj,merged.prj"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit d4c7e090dc5c94395d7e1574845ac2c76f2e4f5f
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76 <param name="variable" value="flat"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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77 <param name="x_limit_min" value="7000"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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78 <param name="x_limit_max" value="7200"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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79 <param name="y_limit_min" value="0"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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80 <param name="y_limit_max" value="1"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 1cf6d7160497ba58fe16a51f00d088a20934eba6
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81 <output_collection name="plot_collection" type="list" count="1"/> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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82 </test> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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83 </tests> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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84 <help><![CDATA[ |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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85 Using Larch, read Athena project files and plot data from them. |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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86 |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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87 Only Athena project files are accepted as input. If data is plaintext, |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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88 first load it using the Larch Athena tool. |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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89 All input files will appear on the same plot(s). |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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90 To generate multiple types of plot with the same set of files, |
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91 add additional sections to the form. |
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92 ]]></help> |
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93 <citations> |
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94 <citation type="doi">@TOOL_CITATION@</citation> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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95 <citation type="doi">10.1107/S0909049505012719</citation> |
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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_plot commit 5be486890442dedfb327289d597e1c8110240735
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96 </citations> |
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97 </tool> |