--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/larch_lcf.xml	Tue Nov 14 15:35:22 2023 +0000
@@ -0,0 +1,63 @@
+<tool id="larch_lcf" name="Larch LCF" version="@TOOL_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT">
+    <description>perform linear combination fit on XAS data</description>
+    <macros>
+        <!-- version of underlying tool (PEP 440) -->
+        <token name="@TOOL_VERSION@">0.9.71</token>
+        <!-- version of this tool wrapper (integer) -->
+        <token name="@WRAPPER_VERSION@">0</token>
+        <!-- citation should be updated with every underlying tool version -->
+        <!-- typical fields to update are version, month, year, and doi -->
+        <token name="@TOOL_CITATION@">10.1088/1742-6596/430/1/012007</token>
+        <import>macros.xml</import>
+    </macros>
+    <creator>
+        <person givenName="Patrick" familyName="Austin" url="https://github.com/patrick-austin" identifier="https://orcid.org/0000-0002-6279-7823"/>
+    </creator>
+    <requirements>
+        <requirement type="package" version="@TOOL_VERSION@">xraylarch</requirement>
+        <requirement type="package" version="3.5.2">matplotlib</requirement>
+    </requirements>
+    <required_files>
+        <include type="literal" path="larch_lcf.py"/>
+    </required_files>
+    <command detect_errors="exit_code"><![CDATA[
+        python '${__tool_directory__}/larch_lcf.py' '$prj_file' '$inputs'
+    ]]></command>
+    <configfiles>
+        <inputs name="inputs" data_style="paths"/>
+    </configfiles>
+    <inputs>
+        <param name="label" type="text" optional="true" label="Main data label" help="The label to use for the main data (target of the fit). If unset, the label will be taken from the Athena project metadata."/>
+        <param name="prj_file" type="data" format="prj" label="Athena project to fit" help="Normalised X-ray Absorption Fine Structure (XAFS) data, in Athena project format, to be fit."/>
+        <repeat name="components" title="Fit components">
+            <param name="label" type="text" optional="true" label="Component label" help="The label to use for this component. If unset, the label will be taken from the Athena project metadata."/>
+            <param name="component_file" type="data" format="prj" label="Athena project to fit" help="Reference X-ray Absorption Fine Structure (XAFS) data, in Athena project format, to be used as components in the fit."/>
+        </repeat>
+        <expand macro="energy_limits"/>
+    </inputs>
+    <outputs>
+        <data name="plot" format="png" from_work_dir="plot.png" label="Larch LCF ${label} ${on_string}"/>
+    </outputs>
+    <tests>
+        <test expect_num_outputs="1">
+            <param name="prj_file" value="PtSn_OCO_Abu_1.prj"/>
+            <param name="component_file" value="Sn_foil_extracted.prj"/>
+            <param name="component_file" value="SnO2_extracted.prj"/>
+            <param name="energy_format" value="relative"/>
+            <param name="energy_max" value="10"/>
+            <output name="plot">
+                <assert_contents>
+                    <has_size value="55100" delta="100"/>
+                </assert_contents>
+            </output>
+        </test>
+    </tests>
+    <help><![CDATA[
+        Performs a Linear Combination Fit (LCF) on an Athena project, using a number of other projects as components to the fit.
+        The extent to which each component contributes to the target is recorded in the output plot of the normalised absorption co-efficient.
+    ]]></help>
+    <citations>
+        <citation type="doi">@TOOL_CITATION@</citation>
+        <citation type="doi">10.1107/S0909049505012719</citation>
+    </citations>
+</tool>
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