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comparison larch_lcf.xml @ 5:90a69f15ab92 draft default tip

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planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_lcf commit 7f52c8654581d23a2acffc818e0c197cf8e04504
author muon-spectroscopy-computational-project
date Tue, 03 Sep 2024 11:51:40 +0000
parents c2d5bfef5b63
children
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4:c2d5bfef5b63 5:90a69f15ab92
2 <description>perform linear combination fit on XAS data</description> 2 <description>perform linear combination fit on XAS data</description>
3 <macros> 3 <macros>
4 <!-- version of underlying tool (PEP 440) --> 4 <!-- version of underlying tool (PEP 440) -->
5 <token name="@TOOL_VERSION@">0.9.80</token> 5 <token name="@TOOL_VERSION@">0.9.80</token>
6 <!-- version of this tool wrapper (integer) --> 6 <!-- version of this tool wrapper (integer) -->
7 <token name="@WRAPPER_VERSION@">0</token> 7 <token name="@WRAPPER_VERSION@">1</token>
8 <!-- citation should be updated with every underlying tool version --> 8 <!-- citation should be updated with every underlying tool version -->
9 <!-- typical fields to update are version, month, year, and doi --> 9 <!-- typical fields to update are version, month, year, and doi -->
10 <token name="@TOOL_CITATION@">10.1088/1742-6596/430/1/012007</token> 10 <token name="@TOOL_CITATION@">10.1088/1742-6596/430/1/012007</token>
11 <import>macros.xml</import> 11 <import>macros.xml</import>
12 </macros> 12 </macros>
80 <param name="energy_max" value="29230"/> 80 <param name="energy_max" value="29230"/>
81 <param name="x_limit_min" value="29190"/> 81 <param name="x_limit_min" value="29190"/>
82 <param name="x_limit_max" value="29230"/> 82 <param name="x_limit_max" value="29230"/>
83 <output name="plot"> 83 <output name="plot">
84 <assert_contents> 84 <assert_contents>
85 <has_size value="59500" delta="100"/> 85 <has_size value="61000" delta="1000"/>
86 </assert_contents> 86 </assert_contents>
87 </output> 87 </output>
88 <assert_stdout> 88 <assert_stdout>
89 <has_text text="Goodness of fit (rfactor): 0.532130%"/> 89 <has_text text="Goodness of fit (rfactor): 0.658596%"/>
90 </assert_stdout> 90 </assert_stdout>
91 </test> 91 </test>
92 <!-- 2: series --> 92 <!-- 2: series -->
93 <test expect_num_outputs="1"> 93 <test expect_num_outputs="1">
94 <param name="execution" value="series"/> 94 <param name="execution" value="series"/>
99 <param name="energy_max" value="29230"/> 99 <param name="energy_max" value="29230"/>
100 <param name="x_limit_min" value="29190"/> 100 <param name="x_limit_min" value="29190"/>
101 <param name="x_limit_max" value="29230"/> 101 <param name="x_limit_max" value="29230"/>
102 <output_collection name="plot_collection" type="list" count="1"/> 102 <output_collection name="plot_collection" type="list" count="1"/>
103 <assert_stdout> 103 <assert_stdout>
104 <has_text text="Goodness of fit (rfactor): 0.532130%"/> 104 <has_text text="Goodness of fit (rfactor): 0.658596%"/>
105 </assert_stdout> 105 </assert_stdout>
106 </test> 106 </test>
107 <!-- 3: zipped --> 107 <!-- 3: zipped -->
108 <test expect_num_outputs="1"> 108 <test expect_num_outputs="1">
109 <param name="execution" value="zipped"/> 109 <param name="execution" value="zipped"/>
114 <param name="energy_max" value="29230"/> 114 <param name="energy_max" value="29230"/>
115 <param name="x_limit_min" value="29190"/> 115 <param name="x_limit_min" value="29190"/>
116 <param name="x_limit_max" value="29230"/> 116 <param name="x_limit_max" value="29230"/>
117 <output_collection name="plot_collection" type="list" count="2"/> 117 <output_collection name="plot_collection" type="list" count="2"/>
118 <assert_stdout> 118 <assert_stdout>
119 <has_text text="Goodness of fit (rfactor): 0.532130%"/> 119 <has_text text="Goodness of fit (rfactor): 0.658596%"/>
120 </assert_stdout> 120 </assert_stdout>
121 </test> 121 </test>
122 </tests> 122 </tests>
123 <help><![CDATA[ 123 <help><![CDATA[
124 Performs a Linear Combination Fit (LCF) on an Athena project, using a number of other projects as components to the fit. 124 Performs a Linear Combination Fit (LCF) on an Athena project, using a number of other projects as components to the fit.