Mercurial > repos > ximgchess > hexrd

diff hexrd_fit_grains.xml @ 10:a35bda7ed678 draft default tip

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"planemo upload for repository https://github.com/ximg-chess/galaxytools/tree/master/tools/hexrd commit 082120888ad38a8e84b32834c698c374db6f0b0c-dirty"
author ximgchess
date Thu, 07 Jul 2022 01:53:44 +0000
parents baba452d0613
children
line wrap: on
line diff
--- a/hexrd_fit_grains.xml	Wed Feb 02 16:40:24 2022 +0000
+++ b/hexrd_fit_grains.xml	Thu Jul 07 01:53:44 2022 +0000
@@ -30,17 +30,22 @@
         </collection>
     </outputs>
     <tests>
+        <!-- Test-1 single_GE -->
         <test>
-            <param name="inputs" ftype="hexrd.iamges.npz" value="RUBY_0000-fc_GE.npz,RUBY_0001-fc_GE.npz,RUBY_0002-fc_GE.npz,RUBY_0003-fc_GE.npz,RUBY_0004-fc_GE.npz,RUBY_0005-fc_GE.npz"/>
+            <param name="analysis_name" value="ruby"/>
+            <param name="inputs" ftype="hexrd.images.npz" value="single_GE/RUBY_0000-fc_GE.npz,single_GE/RUBY_0001-fc_GE.npz,single_GE/RUBY_0002-fc_GE.npz,single_GE/RUBY_0003-fc_GE.npz,single_GE/RUBY_0004-fc_GE.npz,single_GE/RUBY_0005-fc_GE.npz"/>
             <conditional name="detector">
                 <param name="panel_assignment" value="infer_from_name"/>
             </conditional>
-            <param name="instrument" ftype="yaml" value="ge_detector.yml"/>
-            <param name="material" ftype="hexrd.materials.h5" value="materials.h5"/>
+            <param name="instrument" ftype="hexrd.yml" value="single_GE/ge_detector.yml"/>
+            <param name="material" ftype="hexrd.materials.h5" value="single_GE/materials.h5"/>
             <param name="active_material" value="ruby"/>
-            <param name="ome_map" ftype="hexrd.eta_ome.npz" value="analysis_ruby_eta-ome_maps.npz"/>
-            <param name="accepted_orientations" ftype="tabular" value="accepted_orientations_analysis_ruby.dat"/>
-            <param name="grains_estimate" ftype="tabular" value="grains.out"/>
+            <param name="dmin" value="0.7"/>
+            <param name="tth_width" value="0.2"/>
+            <param name="min_sfac_ratio" value="0.05"/>
+            <param name="ome_map" ftype="hexrd.eta_ome.npz" value="single_GE/analysis_ruby_eta-ome_maps.npz"/>
+            <param name="accepted_orientations" ftype="hexrd.accepted_orientations" value="single_GE/accepted_orientations_analysis_ruby.dat"/>
+            <param name="grains_estimate" ftype="tabular" value="single_GE/grains_estimate.out"/>
             <param name="do_fit" value="true"/>
             <param name="npdiv" value="2"/>
             <param name="threshold" value="25"/>
@@ -49,19 +54,57 @@
                     <param name="tth" value="0.25"/>
                     <param name="eta" value="3.0"/>
                     <param name="omega" value="2.0"/>
-                    <param name="refit" value="1"/>
                 </repeat>
                 <repeat name="tolerance_lists">
                     <param name="tth" value="0.20"/>
                     <param name="eta" value="2.0"/>
                     <param name="omega" value="1.0"/>
-                    <param name="refit" value="1"/>
                 </repeat>
+                <param name="refit" value="1,1"/>
                 <param name="tth_max" value="14.25"/>
             </section>
             <output name="grains">
                 <assert_contents>
-                    <has_text text="6.6655" />
+                    <has_text text="6.69" />
+                </assert_contents>
+            </output>
+        </test>
+        <!-- Test-2 multiruby_dexelas -->
+        <test>
+            <param name="analysis_name" value="ruby"/>
+            <param name="inputs" ftype="hexrd.images.npz" value="multiruby_dexelas/mruby-0129_000004_ff1_000012-cachefile.npz,multiruby_dexelas/mruby-0129_000004_ff2_000012-cachefile.npz"/>
+            <conditional name="detector">
+                <param name="panel_assignment" value="infer_from_name"/>
+            </conditional>
+            <param name="instrument" ftype="hexrd.yml" value="multiruby_dexelas/dexelas_id3a_20200130.yml"/>
+            <param name="material" ftype="hexrd.materials.h5" value="multiruby_dexelas/materials.h5"/>
+            <param name="active_material" value="ruby"/>
+            <param name="dmin" value="0.7"/>
+            <param name="tth_width" value="0.2"/>
+            <param name="min_sfac_ratio" value="0.05"/>
+            <param name="ome_map" ftype="hexrd.eta_ome.npz" value="multiruby_dexelas/mruby_monolithic_eta-ome_maps.npz"/>
+            <param name="accepted_orientations" ftype="hexrd.accepted_orientations" value="multiruby_dexelas/accepted_orientations_analysis_ruby.dat"/>
+            <param name="grains_estimate" ftype="tabular" value="multiruby_dexelas/grains_estimate.out"/>
+            <param name="do_fit" value="true"/>
+            <param name="npdiv" value="4"/>
+            <param name="threshold" value="25"/>
+            <section name="tolerance">
+                <repeat name="tolerance_lists">
+                    <param name="tth" value="0.25"/>
+                    <param name="eta" value="3.0"/>
+                    <param name="omega" value="2.0"/>
+                </repeat>
+                <repeat name="tolerance_lists">
+                    <param name="tth" value="0.20"/>
+                    <param name="eta" value="2.0"/>
+                    <param name="omega" value="1.0"/>
+                </repeat>
+                <param name="refit" value="3,1"/>
+                <param name="tth_max" value="true"/>
+            </section>
+            <output name="grains">
+                <assert_contents>
+                    <has_text text="0.98" />
                 </assert_contents>
             </output>
         </test>