changeset 11:6bd82ed14acd draft

planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/scanpy/ commit aba2a85f5da6e1094f382d1f0d94c4b8f2544a7d
author iuc
date Wed, 08 Nov 2023 14:48:14 +0000
parents c5d3684f7c4c
children 3081ff5c84a3
files inspect.xml macros.xml test-data/blobs.h5ad test-data/krumsiek11.h5ad test-data/pbmc68k_reduced.h5ad test-data/pl.clustermap.krumsiek11.png test-data/pl.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.png test-data/pl.dotplot.krumsiek11.png test-data/pl.dpt_groups_pseudotime.dpt.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.png test-data/pl.dpt_timeseries.dpt.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.png test-data/pl.draw_graph.png test-data/pl.embedding_density.pbmc68k_reduced.png test-data/pl.heatmap.krumsiek11.png test-data/pl.highest_expr_genes.filter_genes_dispersion.krumsiek11-seurat.png test-data/pl.highly_variable_genes.seurat.blobs.png test-data/pl.matrixplot.krumsiek11.png test-data/pl.paga.paul15_gauss_braycurtis.png test-data/pl.paga_compare.paul15_gauss_braycurtis.png test-data/pl.pca.pbmc68k_reduced.CD3D_CD79A_components_2d.pdf test-data/pl.pca_loadings.pp.pca.krumsiek11.png test-data/pl.pca_overview.pp.pca.krumsiek11.png test-data/pl.pca_variance_ratio.pp.pca.krumsiek11.png test-data/pl.rank_genes_groups.rank_genes_groups.krumsiek11.png test-data/pl.rank_genes_groups_dotplot.rank_genes_groups.krumsiek11.png test-data/pl.rank_genes_groups_heatmap.rank_genes_groups.krumsiek11.png test-data/pl.rank_genes_groups_matrixplot.rank_genes_groups.krumsiek11.png test-data/pl.rank_genes_groups_stacked_violin.rank_genes_groups.krumsiek11.png test-data/pl.rank_genes_groups_violin.Ery.png test-data/pl.rank_genes_groups_violin.Mk.png test-data/pl.rank_genes_groups_violin.Mo.png test-data/pl.rank_genes_groups_violin.Neu.png test-data/pl.rank_genes_groups_violin.progenitor.png test-data/pl.scatter.krumsiek11.png test-data/pl.scatter.pbmc68k_reduced.png test-data/pl.scatter.umap.pbmc68k_reduced.png test-data/pl.stacked_violin.krumsiek11.png test-data/pl.tsne.krumsiek11.png test-data/pl.umap.neighbors_umap_euclidean.recipe_weinreb17.paul15_subsample.png test-data/pl.violin.pbmc68k_reduced_custom.png test-data/pp.calculate_qc_metrics.sparce_csr_matrix.h5ad test-data/pp.combat.blobs.h5ad test-data/pp.downsample_counts.random-randint.h5ad test-data/pp.filter_cells.krumsiek11-max_genes.h5ad test-data/pp.filter_cells.krumsiek11-min_counts.h5ad test-data/pp.filter_genes.krumsiek11-min_counts.h5ad test-data/pp.highly_variable_genes.krumsiek11-cell_ranger.h5ad test-data/pp.highly_variable_genes.seurat.blobs.h5ad test-data/pp.log1p.krumsiek11.h5ad test-data/pp.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.h5ad test-data/pp.neighbors_umap_euclidean.recipe_weinreb17.paul15_subsample.h5ad test-data/pp.normalize_total.krumsiek11.h5ad test-data/pp.pca.krumsiek11.h5ad test-data/pp.pca.krumsiek11_chunk.h5ad test-data/pp.recipe_seurat.recipe_zheng17.h5ad test-data/pp.recipe_weinreb17.paul15_subsample.h5ad test-data/pp.recipe_weinreb17.paul15_subsample.updated.h5ad test-data/pp.recipe_zheng17.random-randint.h5ad test-data/pp.regress_out.krumsiek11.h5ad test-data/pp.scale.krumsiek11.h5ad test-data/pp.scale_max_value.krumsiek11.h5ad test-data/pp.sqrt.krumsiek11.h5ad test-data/pp.subsample.krumsiek11_fraction.h5ad test-data/pp.subsample.krumsiek11_n_obs.h5ad test-data/sparce_csr_matrix.h5ad test-data/tl.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.h5ad test-data/tl.dpt.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.h5ad test-data/tl.draw_graph.pp.neighbors_umap_euclidean.recipe_weinreb17.paul15_subsample.h5ad test-data/tl.embedding_density.umap.neighbors_umap_euclidean.recipe_weinreb17.paul15_subsample.h5ad test-data/tl.embedding_density.umap.pbmc68k_reduced.h5ad test-data/tl.leiden.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.h5ad test-data/tl.louvain.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.h5ad test-data/tl.paga.neighbors.paul15_gauss_braycurtis.h5ad test-data/tl.paga.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.h5ad test-data/tl.pca.krumsiek11.h5ad test-data/tl.rank_genes_groups.krumsiek11.h5ad test-data/tl.rank_genes_groups.liblinear.krumsiek11.h5ad test-data/tl.rank_genes_groups.newton-cg.pbmc68k_reduced.h5ad test-data/tl.score_genes.krumsiek11.h5ad test-data/tl.score_genes_cell_cycle.krumsiek11.h5ad test-data/tl.tsne.krumsiek11.h5ad test-data/tl.umap.neighbors_umap_euclidean.recipe_weinreb17.paul15_subsample.h5ad
diffstat 81 files changed, 63 insertions(+), 52 deletions(-) [+]
line wrap: on
line diff
--- a/inspect.xml	Wed Sep 22 21:14:32 2021 +0000
+++ b/inspect.xml	Wed Nov 08 14:48:14 2023 +0000
@@ -1,6 +1,5 @@
 <tool id="scanpy_inspect" name="Inspect and manipulate" version="@galaxy_version@" profile="@profile@">
     <description> with scanpy</description>
-    <expand macro="bio_tools"/>
     <macros>
         <import>macros.xml</import>
         <xml name="score_genes_params">
@@ -51,6 +50,7 @@
                 label="The seed of the pseudo random number generator to use when shuffling the data" help=""/>
         </xml>
     </macros>
+    <expand macro="bio_tools"/>
     <expand macro="requirements"/>
     <expand macro="version_command"/>
     <command detect_errors="exit_code"><![CDATA[
@@ -453,7 +453,8 @@
                     </when>
                 </conditional>
             </when>
-            <!--<when value="tl.marker_gene_overlap">
+            <!-- With inplace=True, NotImplementedError: Writing Pandas dataframes to h5ad is currently under development. Please use `inplace=False`. -->
+            <!-- <when value="tl.marker_gene_overlap">
                 <repeat name="reference_markers" title="Marker genes">
                     <param name="key" type="text" value="" label="Cell identity name" help=""/>
                     <param name="values" type="text" value="" label="List of genes" help="Comma-separated names from 'var'"/>
@@ -477,7 +478,7 @@
                 </conditional>
                 <param argument="top_n_markers" type="integer" optional="true" label="Number of top data-derived marker genes to use" help="By default all calculated marker genes are used. If adj_pval_threshold is set along with top_n_markers, then adj_pval_threshold is ignored."/>
                 <param argument="adj_pval_threshold" type="float" optional="true" label="Significance threshold on the adjusted p-values to select marker genes" help=" This can only be used when adjusted p-values are calculated by 'tl.rank_genes_groups'. If adj_pval_threshold is set along with top_n_markers, then adj_pval_threshold is ignored."/>
-                <param argument="key_added" type="text" value="" optional="true" label="Key that will contain the marker overlap scores in 'uns'"/>
+                <param argument="key_added" type="text" value="marker_gene_overlap" optional="true" label="Key that will contain the marker overlap scores in 'uns'"/>
             </when>-->
             <when value="pp.log1p"/>
             <when value="pp.scale">
@@ -494,8 +495,8 @@
         <expand macro="anndata_outputs"/>
     </outputs>
     <tests>
-        <test>
-            <!-- test 0 -->
+        <test expect_num_outputs="2">
+            <!-- test 1 -->
             <param name="adata" value="sparce_csr_matrix.h5ad" />
             <conditional name="method">
                 <param name="method" value="pp.calculate_qc_metrics"/>
@@ -517,8 +518,8 @@
             </output>
             <output name="anndata_out" file="pp.calculate_qc_metrics.sparce_csr_matrix.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 1 -->
+        <test expect_num_outputs="2">
+            <!-- test 2 -->
             <param name="adata" value="pp.recipe_weinreb17.paul15_subsample.h5ad" />
             <conditional name="method">
                 <param name="method" value="pp.neighbors"/>
@@ -547,8 +548,8 @@
                 </assert_contents>
             </output>
         </test>
-        <test>
-            <!-- test 2 -->
+        <test expect_num_outputs="2">
+            <!-- test 3 -->
             <param name="adata" value="pp.recipe_weinreb17.paul15_subsample.h5ad" />
             <conditional name="method">
                 <param name="method" value="pp.neighbors"/>
@@ -572,8 +573,8 @@
             </output>
             <output name="anndata_out" file="pp.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 3 -->
+        <test expect_num_outputs="2">
+            <!-- test 4 -->
             <param name="adata" value="krumsiek11.h5ad" />
             <conditional name="method">
                 <param name="method" value="tl.score_genes"/>
@@ -601,8 +602,8 @@
             </output>
             <output name="anndata_out" file="tl.score_genes.krumsiek11.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 4 -->
+        <test expect_num_outputs="2">
+            <!-- test 5 -->
             <param name="adata" value="krumsiek11.h5ad" />
             <conditional name="method">
                 <param name="method" value="tl.score_genes_cell_cycle"/>
@@ -633,13 +634,13 @@
             </output>
             <output name="anndata_out" file="tl.score_genes_cell_cycle.krumsiek11.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 5 -->
+        <test expect_num_outputs="2">
+            <!-- test 6 -->
             <param name="adata" value="krumsiek11.h5ad" />
             <conditional name="method">
                 <param name="method" value="tl.rank_genes_groups"/>
                 <param name="groupby" value="cell_type"/>
-                <param name="use_raw" value="True"/>
+                <param name="use_raw" value="False"/>
                 <conditional name="ref">
                     <param name="rest" value="rest"/>
                 </conditional>
@@ -656,7 +657,7 @@
                 <assert_contents>
                     <has_text_matching expression="sc.tl.rank_genes_groups"/>
                     <has_text_matching expression="groupby='cell_type'"/>
-                    <has_text_matching expression="use_raw=True"/>
+                    <has_text_matching expression="use_raw=False"/>
                     <has_text_matching expression="reference='rest'"/>
                     <has_text_matching expression="n_genes=100"/>
                     <has_text_matching expression="method='t-test_overestim_var'"/>
@@ -665,8 +666,8 @@
             </output>
             <output name="anndata_out" file="tl.rank_genes_groups.krumsiek11.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 6 -->
+        <test expect_num_outputs="2">
+            <!-- test 7 -->
             <param name="adata" value="pbmc68k_reduced.h5ad" />
             <conditional name="method">
                 <param name="method" value="tl.rank_genes_groups"/>
@@ -714,8 +715,8 @@
                 </assert_contents>
             </output>
         </test>
-        <test>
-            <!-- test 7 -->
+        <test expect_num_outputs="2">
+            <!-- test 8 -->
             <param name="adata" value="pbmc68k_reduced.h5ad" />
             <conditional name="method">
                 <param name="method" value="tl.rank_genes_groups"/>
@@ -769,9 +770,9 @@
                 </assert_contents>
             </output>
         </test>
-        <!--<test>
-            < test 9 >
-            <param name="adata" value="tl.rank_genes_groups.louvain.neighbors.pca.pbmc68k_reduced.h5ad" />
+        <!-- test expect_num_outputs="2">
+            < test 9  tl.marker_gene_overlap function was commented because inpace=True does not work>
+            <param name="adata" value="tl.rank_genes_groups.newton-cg.pbmc68k_reduced.h5ad" />
             <conditional name="method">
                 <param name="method" value="tl.marker_gene_overlap"/>
                 <repeat name="reference_markers">
@@ -787,8 +788,8 @@
                     <param name="value" value="MS4A1"/>
                 </repeat>
                 <conditional name="overlap">
-                    <param argument="method" value="overlap_count"/>
-                    <param argument="normalize" value="None"/>
+                    <param name="method" value="overlap_count"/>
+                    <param name="normalize" value="None"/>
                 </conditional>
             </conditional>
             <assert_stdout>
@@ -796,10 +797,10 @@
                 <has_text_matching expression="key='rank_genes_groups'"/>
                 <has_text_matching expression="method='overlap_count'"/>
             </assert_stdout>
-            <output name="anndata_out" file="pp.log1p.krumsiek11.h5ad" ftype="h5ad" compare="sim_size"/>
-        </test>-->
-        <test>
-            <!-- test 8 -->
+            <output name="anndata_out" file="tl.marker_gene_overlap.pbmc68k_reduced.h5ad" ftype="h5ad" compare="sim_size"/>
+        </test> -->
+        <test expect_num_outputs="2">
+            <!-- test 10 -->
             <param name="adata" value="krumsiek11.h5ad" />
             <conditional name="method">
                 <param name="method" value="pp.log1p"/>
@@ -814,8 +815,8 @@
             </output>
             <output name="anndata_out" file="pp.log1p.krumsiek11.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 9 -->
+        <test expect_num_outputs="2">
+            <!-- test 11 -->
             <param name="adata" value="krumsiek11.h5ad" />
             <conditional name="method">
                 <param name="method" value="pp.scale"/>
@@ -832,8 +833,8 @@
             </output>
             <output name="anndata_out" file="pp.scale.krumsiek11.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 10 -->
+        <test expect_num_outputs="2">
+            <!-- test 12 -->
             <param name="adata" value="krumsiek11.h5ad" />
             <conditional name="method">
                 <param name="method" value="pp.scale"/>
@@ -852,8 +853,8 @@
             </output>
             <output name="anndata_out" file="pp.scale_max_value.krumsiek11.h5ad" ftype="h5ad" compare="sim_size"/>
         </test>
-        <test>
-            <!-- test 11 -->
+        <test expect_num_outputs="2">
+            <!-- test 13 -->
             <param name="adata" value="krumsiek11.h5ad" />
             <conditional name="method">
                 <param name="method" value="pp.sqrt"/>
@@ -892,7 +893,7 @@
 - pct_dropout_by_{expr_type} (e.g. "pct_dropout_by_counts", percentage of cells this feature does not appear in)
 
 More details on the `scanpy documentation
-<https://icb-scanpy.readthedocs-hosted.com/en/@version@/api/scanpy.pp.calculate_qc_metrics.html>`__
+<https://icb-scanpy.readthedocs-hosted.com/en/stable/api/scanpy.pp.calculate_qc_metrics.html>`__
 
 Compute a neighborhood graph of observations, using `pp.neighbors`
 ==================================================================
@@ -911,7 +912,7 @@
 This data are stored in the unstructured annotation (uns) and can be accessed using the inspect tool for AnnData objects
 
 More details on the `scanpy documentation
-<https://icb-scanpy.readthedocs-hosted.com/en/@version@/api/scanpy.pp.neighbors.html>`__
+<https://icb-scanpy.readthedocs-hosted.com/en/stable/api/scanpy.pp.neighbors.html>`__
 
 Score a set of genes, using `tl.score_genes`
 ============================================
@@ -924,7 +925,7 @@
 for Scanpy by Davide Cittaro.
 
 More details on the `scanpy documentation
-<https://icb-scanpy.readthedocs-hosted.com/en/@version@/api/scanpy.tl.score_genes.html>`__
+<https://icb-scanpy.readthedocs-hosted.com/en/stable/api/scanpy.tl.score_genes.html>`__
 
 Score cell cycle genes, using `tl.score_genes_cell_cycle`
 =========================================================
@@ -934,7 +935,7 @@
 `score_genes` for more explanation.
 
 More details on the `scanpy documentation
-<https://icb-scanpy.readthedocs-hosted.com/en/@version@/api/scanpy.tl.score_genes_cell_cycle.html>`__
+<https://icb-scanpy.readthedocs-hosted.com/en/stable/api/scanpy.tl.score_genes_cell_cycle.html>`__
 
 Rank genes for characterizing groups, using `tl.rank_genes_groups`
 ==================================================================
@@ -950,7 +951,7 @@
 This data are stored in the unstructured annotation (uns) and can be accessed using the inspect tool for AnnData objects
 
 More details on the `scanpy documentation
-<https://icb-scanpy.readthedocs-hosted.com/en/@version@/api/scanpy.tl.rank_genes_groups.html>`__
+<https://icb-scanpy.readthedocs-hosted.com/en/stable/api/scanpy.tl.rank_genes_groups.html>`__
 
 
 Calculate an overlap score between data-deriven marker genes and provided markers (`tl.marker_gene_overlap`)
@@ -963,13 +964,13 @@
 =========================================
 
 More details on the `scanpy documentation
-<https://icb-scanpy.readthedocs-hosted.com/en/@version@/api/scanpy.pp.log1p.html>`__
+<https://icb-scanpy.readthedocs-hosted.com/en/stable/api/scanpy.pp.log1p.html>`__
 
 Scale data to unit variance and zero mean (`pp.scale`)
 ======================================================
 
 More details on the `scanpy documentation
-<https://icb-scanpy.readthedocs-hosted.com/en/@version@/api/scanpy.pp.scale.html>`__
+<https://icb-scanpy.readthedocs-hosted.com/en/stable/api/scanpy.pp.scale.html>`__
 
 Computes the square root the data matrix (`pp.sqrt`)
 ====================================================
--- a/macros.xml	Wed Sep 22 21:14:32 2021 +0000
+++ b/macros.xml	Wed Nov 08 14:48:14 2023 +0000
@@ -1,12 +1,16 @@
 <macros>
-    <token name="@version@">1.7.1</token>
-    <token name="@profile@">19.01</token>
+    <token name="@version@">1.9.6</token>
+    <token name="@profile@">22.05</token>
     <token name="@galaxy_version@"><![CDATA[@version@+galaxy0]]></token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="@version@">scanpy</requirement>
-            <requirement type="package" version="2.0.17">loompy</requirement>
-            <requirement type="package" version="0.8.3">leidenalg</requirement>
+            <requirement type="package" version="3.0.6">loompy</requirement>
+            <requirement type="package" version="0.10.1">leidenalg</requirement>
+            <requirement type="package" version="0.8.1">louvain</requirement>
+            <requirement type="package" version="1.5.3">pandas</requirement>
+            <requirement type="package" version="3.7">matplotlib</requirement>
+            <requirement type="package" version="0.12.2">seaborn</requirement>
             <yield />
         </requirements>
     </xml>
@@ -15,9 +19,15 @@
             <xref type="bio.tools">scanpy</xref>
         </xrefs>
     </xml>
+    <xml name="creators">
+        <creator>
+            <organization name="European Galaxy Team" url="https://galaxyproject.org/eu/" />
+        </creator>
+    </xml>
     <xml name="citations">
         <citations>
             <citation type="doi">10.1186/s13059-017-1382-0</citation>
+            <citation type="doi">10.1093/gigascience/giaa102</citation>
         </citations>
     </xml>
     <xml name="version_command">
@@ -56,7 +66,7 @@
         <param name="adata" type="data" format="h5ad" label="Annotated data matrix"/>
     </xml>
     <token name="@CMD_read_inputs@"><![CDATA[
-adata = sc.read('anndata.h5ad')
+adata = sc.read_h5ad('anndata.h5ad')
 ]]>
     </token>
     <xml name="inputs_common_advanced">
@@ -66,12 +76,12 @@
     </xml>
     <xml name="anndata_outputs">
         <data name="anndata_out" format="h5ad" from_work_dir="anndata.h5ad" label="${tool.name} (${method.method}) on ${on_string}: Annotated data matrix"/>
-        <data name="hidden_output" format="txt" label="Log file" >
+            <data name="hidden_output" format="txt" label="Log file" >
             <filter>advanced_common['show_log']</filter>
         </data>
     </xml>
     <token name="@CMD_anndata_write_outputs@"><![CDATA[
-adata.write('anndata.h5ad')
+adata.write_h5ad('anndata.h5ad')
 with open('anndata_info.txt','w', encoding='utf-8') as ainfo:
     print(adata, file=ainfo)
 ]]>
@@ -875,7 +885,7 @@
     </xml>
     <xml name="param_color_map">
         <param argument="color_map" type="select" label="Color map to use for continous variables" help="">
-            <option value="None">Default</option>
+            <option value="" >Default</option>
             <expand macro="matplotlib_pyplot_colormap"/>
         </param>
     </xml>
@@ -979,7 +989,7 @@
     @CMD_param_legend_fontsize@
     legend_fontweight='$method.plot.legend_fontweight',
     @CMD_param_size@
-    #if str($method.plot.color_map) != 'None'
+    #if str($method.plot.color_map) != ''
     color_map='$method.plot.color_map',
     #end if
     #if str($method.plot.palette) != ''
Binary file test-data/blobs.h5ad has changed
Binary file test-data/krumsiek11.h5ad has changed
Binary file test-data/pbmc68k_reduced.h5ad has changed
Binary file test-data/pl.clustermap.krumsiek11.png has changed
Binary file test-data/pl.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.png has changed
Binary file test-data/pl.dotplot.krumsiek11.png has changed
Binary file test-data/pl.dpt_groups_pseudotime.dpt.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.png has changed
Binary file test-data/pl.dpt_timeseries.dpt.diffmap.neighbors_gauss_braycurtis.recipe_weinreb17.paul15_subsample.png has changed
Binary file test-data/pl.draw_graph.png has changed
Binary file test-data/pl.embedding_density.pbmc68k_reduced.png has changed
Binary file test-data/pl.heatmap.krumsiek11.png has changed
Binary file test-data/pl.highest_expr_genes.filter_genes_dispersion.krumsiek11-seurat.png has changed
Binary file test-data/pl.highly_variable_genes.seurat.blobs.png has changed
Binary file test-data/pl.matrixplot.krumsiek11.png has changed
Binary file test-data/pl.paga.paul15_gauss_braycurtis.png has changed
Binary file test-data/pl.paga_compare.paul15_gauss_braycurtis.png has changed
Binary file test-data/pl.pca.pbmc68k_reduced.CD3D_CD79A_components_2d.pdf has changed
Binary file test-data/pl.pca_loadings.pp.pca.krumsiek11.png has changed
Binary file test-data/pl.pca_overview.pp.pca.krumsiek11.png has changed
Binary file test-data/pl.pca_variance_ratio.pp.pca.krumsiek11.png has changed
Binary file test-data/pl.rank_genes_groups.rank_genes_groups.krumsiek11.png has changed
Binary file test-data/pl.rank_genes_groups_dotplot.rank_genes_groups.krumsiek11.png has changed
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