changeset 0:c29e7bb492bf draft

planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/baredsc commit dad42d788f7407976a67ed50cc886ebe79740e32
author iuc
date Mon, 02 Oct 2023 13:25:17 +0000
parents
children aa4a6f0916b4
files baredsc_2d.xml macros.xml test-data/2d_small_1gauss.npz test-data/2d_small_1gauss.png test-data/2d_small_2gauss.npz test-data/2d_small_2gauss.png test-data/2d_small_2gauss_convergence.png test-data/2d_small_2gauss_corr.txt test-data/2d_small_2gauss_individuals.png test-data/2d_small_2gauss_median.png test-data/2d_small_2gauss_neff.txt test-data/2d_small_2gauss_p.png test-data/2d_small_2gauss_p.txt test-data/2d_small_2gauss_pdf2d.txt test-data/2d_small_2gauss_pdf2d_flat.txt test-data/2d_test2.pdf test-data/2d_test2_split-10.5.pdf test-data/2d_test2_split-10.5.txt test-data/2d_test2_split-10.5_renorm.pdf test-data/2d_test2_split-9.5.pdf test-data/2d_test2_split-9.5.txt test-data/2d_test2_split-9.5_renorm.pdf test-data/generate_small_inputs_for_combine.sh test-data/nih3t3_generated_2d_2.txt test-data/small_1gauss.npz test-data/small_1gauss.png test-data/small_2gauss.npz test-data/small_2gauss.png test-data/small_2gauss_convergence.png test-data/small_2gauss_corner.png test-data/small_2gauss_individuals.png test-data/small_2gauss_means.txt.gz test-data/small_2gauss_neff.txt test-data/small_2gauss_p.png test-data/small_2gauss_p.txt test-data/small_2gauss_pdf.txt test-data/small_2gauss_posterior_andco.png test-data/small_2gauss_posterior_individuals.png test-data/small_2gauss_posterior_per_cell.txt test-data/small_2gauss_with_posterior.png test-data/test1_res.png test-data/test2_res.pdf
diffstat 42 files changed, 8113 insertions(+), 0 deletions(-) [+]
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/baredsc_2d.xml	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,343 @@
+<tool id="baredsc_2d" name="baredSC 2d" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="20.01" license="MIT">
+    <description>Compute distribution for a pair of genes</description>
+    <macros>
+        <import>macros.xml</import>
+    </macros>
+    <expand macro="edam_topics"/>
+    <edam_operations>
+        <edam_operation>operation_2495</edam_operation>
+        <edam_operation>operation_3463</edam_operation>
+    </edam_operations>
+    <xrefs>
+        <xref type="bio.tools">baredsc</xref>
+    </xrefs>
+    <expand macro="requirements"/>
+    <command detect_errors="exit_code"><![CDATA[
+    baredSC_2d
+    ## Required inputs:
+    @REQUIRED_INPUTS_2D@
+
+    ## Filter cells
+    @FILTER_CELLS@
+    ## MCMC
+    @MCMC_2D@
+    @BAREDSC_COMMON@
+    ## Plots
+    @PLOTS@
+    @PRETTYBINS_SPLITY_COLORSCALE_2D@
+    ## Advanced
+    @ADVANCED_COMMON_X@
+    @ADVANCED_COMMON_COMPLEMENT_2D@
+    @ADVANCED_BAREDSC_COMMON@
+    ## Outputs
+    --output output
+    --figure baredSC.$plots.image_file_format
+    --logevidence logevidence.txt &&
+    mkdir QC &&
+    mv baredSC_convergence.* QC &&
+    mv baredSC_p.$plots.image_file_format QC &&
+    mv baredSC_corner.* QC &&
+    mkdir output &&
+    mv baredSC_neff.txt output &&
+    @ORDER_OUTPUTS_2D@
+    ]]></command>
+    <inputs>
+        <expand macro="macro_input_counts"/>
+        <expand macro="macro_two_genes"/>
+        <expand macro="macro_filter_cells"/>
+        <section name="MCMC" title="MCMC parameters">
+            <expand macro="macro_MCMC_params_common_axis" axis="x" />
+            <expand macro="macro_MCMC_params_common_axis" axis="y" />
+            <expand macro="macro_scale_seed"/>
+            <expand macro="macro_MCMC_common_baredSC"/>
+        </section>
+        <section name="plots" title="Customize plots">
+            <expand macro="macro_plots"/>
+            <expand macro="macro_prettybins_axis" axis="x"/>
+            <expand macro="macro_prettybins_axis" axis="y"/>
+            <expand macro="macro_colorscale"/>
+            <expand macro="macro_splity"/>
+        </section>
+        <section name="advanced" title="Advanced parameters" expanded="false">
+            <expand macro="macro_advanced_common_axis" axis="x" default_osamppdf="4"/>
+            <expand macro="macro_advanced_common_axis" axis="y" default_osamppdf="4"/>
+            <expand macro="macro_advanced_evidence"/>
+            <expand macro="macro_advanced_common_baredSC"/>
+            <expand macro="macro_scaleprior"/>
+        </section>
+    </inputs>
+    <outputs>
+        <data format="npz" name="output" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: Numpy archive" from_work_dir="output.npz"/>
+        <data format="txt" name="neff" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: Neff" from_work_dir="output/baredSC_neff.txt"/>
+        <collection type="list" name="qc_plots" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: QC plots">
+            <discover_datasets pattern="baredSC_(?P&lt;identifier_0&gt;\S+)\.(?P&lt;ext&gt;.*)" directory="QC"/>
+        </collection>
+        <data format="tabular" name="pdf2d" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: mean PDF in matrix format" from_work_dir="output/baredSC_pdf2d.txt"/>
+        <data format="tabular" name="pdf2d_flat" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: PDF with error bar, one bin per line" from_work_dir="output/baredSC_pdf2d_flat.txt">
+            <actions>
+                <action name="column_names" type="metadata" default="x,y,low,mean,high,median" />
+            </actions>
+        </data>
+        <data format="png" name="plot" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: plot" from_work_dir="baredSC">
+            <change_format>
+                <when input="plots.image_file_format" value="png" format="png" />
+                <when input="plots.image_file_format" value="svg" format="svg" />
+                <when input="plots.image_file_format" value="pdf" format="pdf" />
+            </change_format>
+        </data>
+        <collection type="list" name="other_outputs" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: plots and txt">
+            <discover_datasets pattern="baredSC_(?P&lt;identifier_0&gt;\S+)\.(?P&lt;ext&gt;.*)"/>
+        </collection>
+        <data format="txt" name="logevidence" label="${tool.name} on $getVar('input_counts.input', 'input_counts.inputAnnData') for ${geneXColName} and ${geneYColName}: Log evidence" from_work_dir="logevidence.txt"/>
+    </outputs>
+    <tests>
+        <!-- First test I decreased the number of samples and bins to make it quicker-->
+        <test>
+            <conditional name="input_counts">
+                <param name="filetype" value="tabular"/>
+                <param name="input" value="nih3t3_generated_2d_2.txt"/>
+            </conditional>
+            <param name="geneXColName" value="0.5_0_0_0.5_x"/>
+            <param name="geneYColName" value="0.5_0_0_0.5_y"/>
+            <section name="MCMC">
+                <param name="nnorm" value="2"/>
+                <param name="nx" value="10"/>
+                <param name="ny" value="12"/>
+                <conditional name="automaticRestart">
+                    <param name="set_minNeff" value="no"/>
+                </conditional>
+                <param name="nsampMCMC" value="20000"/>
+            </section>
+            <section name="plots">
+                <param name="prettyBinsx" value="50"/>
+                <param name="prettyBinsy" value="50"/>
+            </section>
+            <output name="output">
+                <assert_contents>
+                    <has_size value="524174" delta="50000"/>
+                </assert_contents>
+            </output>
+            <output name="neff">
+                <assert_contents>
+                    <has_text_matching expression="^1[0-2][0-9]\."/>
+                </assert_contents>
+            </output>
+            <output_collection name="qc_plots" count="3" type="list">
+                <element name="convergence" ftype="png">
+                    <assert_contents>
+                        <has_size value="35116" delta="3000"/>
+                    </assert_contents>
+                </element>
+                <element name="p" ftype="png">
+                    <assert_contents>
+                        <has_size value="279538" delta="20000"/>
+                    </assert_contents>
+                </element>
+                <element name="corner" ftype="png">
+                    <assert_contents>
+                        <has_size value="1450978" delta="100000"/>
+                    </assert_contents>
+                </element>
+            </output_collection>
+            <output name="pdf2d" ftype="tabular">
+                <assert_contents>
+                    <has_n_lines n="51"/>
+                    <has_line_matching expression="xy\t0\.025\t0\.07500000000000001\t0\.125\t0\.17500000000000002\t0\.225\t0\.275\t0\.32500000000000007\t0\.375\t0\.42500000000000004\t0\.475\t0\.525\t0\.5750000000000001\t0\.625\t0\.675\t0\.7250000000000001\t0\.775\t0\.8250000000000001\t0\.875\t0\.925\t0\.9750000000000001\t1\.025\t1\.0750000000000002\t1\.125\t1\.1750000000000003\t1\.225\t1\.275\t1\.3250000000000002\t1\.375\t1\.4250000000000003\t1\.475\t1\.525\t1\.5750000000000002\t1\.625\t1\.6750000000000003\t1\.725\t1\.775\t1\.8250000000000002\t1\.875\t1\.9250000000000003\t1\.975\t2\.0250000000000004\t2\.075\t2\.125\t2\.175\t2\.225\t2\.2750000000000004\t2\.325\t2\.375\t2\.4250000000000003\t2\.475"/>
+                    <has_text_matching expression="2\.5[0-9]+e-02\s+3\.[0-9]+e-02\s+[56]\.[0-9]+e-02"/>
+                </assert_contents>
+            </output>
+            <output name="pdf2d_flat" ftype="tabular">
+                <assert_contents>
+                    <has_text_matching expression="x\s+y\s+low\s+mean\s+high\s+median"/>
+                    <has_n_lines n="2501"/>
+                    <has_line_matching expression="0\.025\s+0\.025[0-9]+\s+0\.002[0-9]+\s+0\.03[0-9]+\s+0\.0[67][0-9]+\s+0\.0[12][0-9]+"/>
+                </assert_contents>
+            </output>
+            <output name="plot" ftype="png">
+                <assert_contents>
+                    <has_size value="40843" delta="4000"/>
+                </assert_contents>
+            </output>
+            <output_collection name="other_outputs" count="4" type="list">
+                <element name="p" ftype="txt">
+                    <assert_contents>
+                       <has_line_matching expression="name\s+low\s+median\s+high"/>
+                       <has_line_matching expression="xy_mux[01]\s+0\.3[0-9]+\s+0\.3[0-9]+\s+0\.3[0-9]+"/>
+                       <has_text_matching expression="xy_mux[01]\s+0\.9[0-9]+\s+1\.0[0-9]+\s+1\.0[0-9]+" />
+                       <has_n_lines n="12"/>
+                    </assert_contents>
+                </element>
+                <element name="corr" ftype="txt">
+                    <assert_contents>
+                        <has_n_lines n="2"/>
+                        <has_line_matching expression="mean\tmedian\tlow\thigh\tpval\terror"/>
+                        <has_text_matching expression="0\.9[0-9]+\s+0\.9[0-9]+\s+0\.8[0-9]+\s+0\.9[0-9]+\s+0\.00[7-9][0-9]+\s+0\.00[7-9][0-9]+\s+"/>
+                    </assert_contents>
+                </element>
+                <element name="individuals" ftype="png">
+                    <assert_contents>
+                        <has_size value="56538" delta="5000"/>
+                    </assert_contents>
+                </element>
+                <element name="median" ftype="png">
+                    <assert_contents>
+                        <has_size value="40829" delta="4000"/>
+                    </assert_contents>
+                </element>
+            </output_collection>
+            <output name="logevidence">
+                <assert_contents>
+                    <has_text_matching expression="^-81[0-9][0-9]\."/>
+                </assert_contents>
+            </output>
+        </test>
+        <!-- Second test pdf filtering cells title log scale-->
+        <test>
+            <conditional name="input_counts">
+                <param name="filetype" value="tabular"/>
+                <param name="input" value="nih3t3_generated_2d_2.txt"/>
+            </conditional>
+            <param name="geneXColName" value="0.5_0_0_0.5_x"/>
+            <param name="geneYColName" value="0.5_0_0_0.5_y"/>
+            <conditional name="filter">
+                <param name="nb" value="1"/>
+                <param name="metadata1ColName" value="0_0.5_0.5_0_group"/>
+                <param name="metadata1Values" value="1.0"/>
+            </conditional>
+            <section name="MCMC">
+                <param name="xmin" value="-12"/>
+                <param name="xmax" value="-7"/>
+                <param name="nx" value="25"/>
+                <param name="ymin" value="-12"/>
+                <param name="ymax" value="-7"/>
+                <param name="ny" value="25"/>
+                <param name="nnorm" value="2"/>
+                <param name="nsampMCMC" value="10000"/>
+                <conditional name="automaticRestart">
+                    <param name="set_minNeff" value="yes"/>
+                    <param name="minNeff" value="200"/>
+                </conditional>
+                <conditional name="scale">
+                    <param name="type" value="log"/>
+                </conditional>
+            </section>
+            <section name="plots">
+                <param name="title" value="TEST2"/>
+                <param name="image_file_format" value="pdf"/>
+                <param name="splity" value="-10.5 -9.5"/>
+            </section>
+            <output name="output">
+                <assert_contents>
+                    <has_size value="2690419" delta="200000"/>
+                </assert_contents>
+            </output>
+            <output name="neff">
+                <assert_contents>
+                    <has_text_matching expression="^(10|9)[0-9][0-9]\."/>
+                </assert_contents>
+            </output>
+            <output_collection name="qc_plots" count="3" type="list">
+                <element name="convergence" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="28184" delta="2000"/>
+                    </assert_contents>
+                </element>
+                <element name="p" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="800065" delta="80000"/>
+                    </assert_contents>
+                </element>
+                <element name="corner" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="1431497" delta="200000"/>
+                    </assert_contents>
+                </element>
+            </output_collection>
+            <output name="pdf2d" ftype="tabular">
+                <assert_contents>
+                    <has_n_lines n="26"/>
+                    <has_line_matching expression="xy\s+-11\.9\s+-11\.7\s+-11\.5\s+-11\.3\s+-11\.1\s+-10\.9\s+-10\.7\s+-10\.5\s+-10\.3\s+-10\.1\s+-9\.9\s+-9\.7\s+-9\.5\s+-9\.3\s+-9\.1\s+-8\.9\s+-8\.7\s+-8\.5\s+-8\.3\s+-8\.1\s+-7\.9\s+-7\.699999999999999\s+-7\.5\s+-7\.299999999999999\s+-7\.1"/>
+                    <has_text_matching expression="-1\.19[0-9]+e\+01\s+"/>
+                </assert_contents>
+            </output>
+            <output name="pdf2d_flat" ftype="tabular">
+                <assert_contents>
+                    <has_text_matching expression="x\s+y\s+low\s+mean\s+high\s+median"/>
+                    <has_n_lines n="626"/>
+                </assert_contents>
+            </output>
+            <output name="plot" ftype="pdf">
+                <assert_contents>
+                    <has_size value="15541" delta="1000"/>
+                </assert_contents>
+            </output>
+            <output_collection name="other_outputs" count="10" type="list">
+                <element name="p" ftype="txt">
+                    <assert_contents>
+                       <has_line_matching expression="name\s+low\s+median\s+high"/>
+                       <has_line_matching expression="xy_mux[01]\s+-8\.6[0-9]+\s+-8\.6[0-9]+\s+-8\.5[0-9]+"/>
+                       <has_text_matching expression="xy_mux[01]\s+-10\.2[0-9]+\s+-10\.1[0-9]+\s+-10\.0[0-9]+" />
+                       <has_n_lines n="12"/>
+                    </assert_contents>
+                </element>
+                <element name="corr" ftype="txt">
+                    <assert_contents>
+                        <has_n_lines n="2"/>
+                        <has_line_matching expression="mean\tmedian\tlow\thigh\tpval\terror"/>
+                        <has_text_matching expression="0\.9[0-9]+\s+0\.9[0-9]+\s+0\.8[0-9]+\s+0\.9[0-9]+\s+0\.00[10|9][0-9]+\s+0\.00[10|9][0-9]+\s+"/>
+                    </assert_contents>
+                </element>
+                <element name="individuals" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="38594" delta="3000"/>
+                    </assert_contents>
+                </element>
+                <element name="median" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="15482" delta="1000"/>
+                    </assert_contents>
+                </element>
+                <element name="split-10.5" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="11801" delta="1000"/>
+                    </assert_contents>
+                </element>
+                <element name="split-10.5_renorm" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="13138" delta="1000"/>
+                    </assert_contents>
+                </element>
+                <element name="split-10.5_pdf">
+                    <assert_contents>
+                        <has_text_matching expression="x\s+low1\s+mean1\s+high1\s+low2\s+mean2\s+high2"/>
+                        <has_n_lines n="26"/>
+                        <has_text_matching expression="-1\.19[0-9]+e\+01"/>
+                    </assert_contents>
+                </element>
+                <element name="split-9.5" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="11919" delta="1000"/>
+                    </assert_contents>
+                </element>
+                <element name="split-9.5_renorm" ftype="pdf">
+                    <assert_contents>
+                        <has_size value="13145" delta="1000"/>
+                    </assert_contents>
+                </element>
+                <element name="split-9.5_pdf">
+                    <assert_contents>
+                        <has_text_matching expression="x\s+low1\s+mean1\s+high1\s+low2\s+mean2\s+high2"/>
+                        <has_n_lines n="26"/>
+                        <has_text_matching expression="-1\.19[0-9]+e\+01\s+"/>
+                    </assert_contents>
+                </element>
+            </output_collection>
+            <output name="logevidence">
+                <assert_contents>
+                    <has_text_matching expression="^-40[0-9][0-9]\."/>
+                </assert_contents>
+            </output>
+        </test>
+    </tests>
+    <expand macro="helpcitations"/>
+</tool>
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,313 @@
+<macros>
+    <token name="@TOOL_VERSION@">1.1.1</token>
+    <token name="@VERSION_SUFFIX@">0</token>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="@TOOL_VERSION@">baredsc</requirement>
+            <requirement type="package" version="1.12">gzip</requirement>
+        </requirements>
+        <version_command><![CDATA[baredSC_1d --version]]></version_command>
+    </xml>
+    <xml name="helpcitations">
+        <help><![CDATA[
+
+            .. class:: infomark
+            
+            **BARED (Bayesian Approach to Retreive Expression Distribution of) Single Cell**
+            
+            baredSC is a tool that uses a Monte-Carlo Markov Chain to estimate a confidence interval on the probability density function (PDF) of expression of one or two genes from single-cell RNA-seq data. It uses the raw counts and the total number of UMI for each cell. The PDF is approximated by a number of 1d or 2d gaussians provided by the user. The likelihood is estimated using the asumption that the raw counts follow a Poisson distribution of parameter equal to the proportion of mRNA for the gene in the cell multiplied by the total number of UMI identified in this cell.
+            
+            To get a description of outputs, please read the `Documentation <https://baredsc.readthedocs.io/en/latest/index.html>`_
+
+            This is a description of the figure with the results. 
+
+            - When the 1d version is used, it displays the mean PDF in solid red line, the median in black dashed lines (/!\backslash the integral of the median is not equal to 1) with the confidence interval of 1 sigma (68%), 2 sigma (95%) and 3 sigma (99.7%) as well as in green, the kernel density estimate of the input values, the detected expression (``log(1 + targetSum * raw / total UMI)``).
+
+            - When the 2d version is used, it displays the PDF as a heatmap as well as a projection on the x and y axis. On the projection, the confidence interval 68% is indicated as a shaded area as well as the mean with a solid red line and the median with a dashed black line. On the top right corner, the correlation is indicated with the confidence interval 68% as well as a confidence interval on the one-sided p-value (the probability that the correlation is the opposite sign of the mean, one sigma confidence interval).
+
+            Usually you should run baredSC_1d or baredSC_2d with 1 to 4 gaussians. Then you combine the different models with combineMultipleModels_1d or combineMultipleModels_2d.
+            
+        ]]></help>
+        <citations>
+            <citation type="doi">10.1186/s12859-021-04507-8</citation>
+        </citations>
+    </xml>
+    <xml name="edam_topics">
+        <edam_topics>
+            <edam_topic>topic_3170</edam_topic>
+            <edam_topic>topic_4028</edam_topic>
+            <edam_topic>topic_2269</edam_topic>
+        </edam_topics>
+    </xml>
+    <xml name="macro_input_counts">
+        <conditional name="input_counts">
+            <param name="filetype" type="select" label="Input type">
+                <option value="tabular">Tabular</option>
+                <option value="anndata">Anndata (for example from Scanpy)</option>
+            </param>
+            <when value="tabular">
+                <param argument="--input" type="data" format="tabular" label="Input table (with header)" help="Expected format is one line per cell, columns with raw counts and one column 'nCount_RNA' with the total number of UMI per cell (optionally other meta data to filter)" />
+            </when>
+            <when value="anndata">
+                <param argument="--inputAnnData" type="data" format="anndata" label="AnnData containing raw counts" />
+            </when>
+        </conditional>
+    </xml>
+    <xml name="macro_single_gene">
+        <param argument="--geneColName" type="text" value="" label="Name of the column with gene counts."/>
+    </xml>
+    <xml name="macro_two_genes">
+        <param argument="--geneXColName" type="text" value="" label="Name of the column with gene counts for gene in x."/>
+        <param argument="--geneYColName" type="text" value="" label="Name of the column with gene counts for gene in y."/>
+    </xml>
+    <xml name="macro_filter_cells">
+        <conditional name="filter">
+            <param name="nb" type="select" label="How many filters columns do you need?">
+                <option value="0">0 (keep all cells from file)</option>
+                <option value="1">1</option>
+                <option value="2">2</option>
+                <option value="3">3</option>
+            </param>
+            <when value="0"/>
+            <when value="1">
+                <param argument="--metadata1ColName" type="text" value="" label="Name of the column with first filter."/>
+                <param argument="--metadata1Values" type="text" value="" label="Values accepted in this column (separated by comma)."/>
+            </when>
+            <when value="2">
+                <param argument="--metadata1ColName" type="text" value="" label="Name of the column with first filter."/>
+                <param argument="--metadata1Values" type="text" value="" label="Values accepted in this column (separated by comma)."/>
+                <param argument="--metadata2ColName" type="text" value="" label="Name of the column with second filter."/>
+                <param argument="--metadata2Values" type="text" value="" label="Values accepted in this column (separated by comma)."/>
+            </when>
+            <when value="3">
+                <param argument="--metadata1ColName" type="text" value="" label="Name of the column with first filter."/>
+                <param argument="--metadata1Values" type="text" value="" label="Values accepted in this column (separated by comma)."/>
+                <param argument="--metadata2ColName" type="text" value="" label="Name of the column with second filter."/>
+                <param argument="--metadata2Values" type="text" value="" label="Values accepted in this column (separated by comma)."/>
+                <param argument="--metadata3ColName" type="text" value="" label="Name of the column with third filter."/>
+                <param argument="--metadata3Values" type="text" value="" label="Values accepted in this column (separated by comma)."/>
+            </when>
+        </conditional>
+    </xml>
+    <xml name="macro_MCMC_params_common_axis" token_axis="x">
+        <param argument="--@AXIS@min" type="float" value="0" label="Minimum value to consider in @AXIS@ axis." help="Choose value small enough to go below smallest value."/>
+        <param argument="--@AXIS@max" type="float" value="2.5" label="Maximum value to consider in @AXIS@ axis." help="Choose value large enough to go above largest value."/>
+        <param argument="--n@AXIS@" type="integer" min="1" value="100" label="Number of values in @AXIS@ to check how your evaluated PDF is compatible with the model." help="Larger values will increase computing time while smaller values will decrease the resolution of your PDF." />
+        <param argument="--minScale@AXIS@" type="float" value="0.1" label="Minimal value of the scale of Gaussians on @AXIS@" help="Cannot be smaller than max of twice the bin size of PDF evaluation and half the bin size on @AXIS@ axis."/>
+    </xml>
+    <xml name="macro_scale_seed">
+        <conditional name="scale">
+            <param name="type" type="select" label="Scale for gene expression">
+                <option value="Seurat">Like in Seurat (log(1+targetSum*X))</option>
+                <option value="log">simply log</option>
+            </param>
+            <when value="Seurat">
+                <param argument="--targetSum" type="float" value="10000" label="targetSum" help="use 0 for the median of nRNA_Counts"/>
+            </when>
+            <when value="log"/>
+        </conditional>
+        <param argument="--seed" type="integer" value="1" label="Seed value to control randomness." help="Change seed value to get new result"/>
+    </xml>
+    <xml name="macro_MCMC_common_baredSC">
+        <param argument="--nnorm" type="integer" min="1" value="2" label="Number of Gaussians to fit." />
+        <param argument="--nsampMCMC" type="integer" min="1" value="100000" label="Number of samplings (iterations) of MCMC." />
+        <conditional name="automaticRestart">
+            <param name="set_minNeff" type="select" label="Auto-rerun in case of obvious non-convergence">
+                <option value="yes">Yes (the job may never stop)</option>
+                <option value="no">No</option>
+            </param>
+            <when value="yes">
+                <param argument="--minNeff" type="float" value="200" label="Minimum number of effective samples to output result." help="If the number of effective samples is below this threshold, the MCMC is automatically rerun with 10 times more samples"/>
+            </when>
+            <when value="no"/>
+        </conditional>
+    </xml>
+    <xml name="combine_outputs" token_d="1">
+        <param argument="--outputs" type="data" format="npz" label="Numpy archives from baredSC_@D@d with different number of Gaussians." multiple="true"/>        
+    </xml>
+    <xml name="macro_plots">
+        <param name="image_file_format" type="select" label="Image output format">
+            <option value="png">png</option>
+            <option value="svg">svg</option>
+            <option value="pdf">pdf</option>
+        </param>
+        <param argument="--title" type="text" value="" label="Title to set to all figures."/>
+        <param argument="--removeFirstSamples" type="integer" value="-1" label="Number of samples to ignore before making the plots" help="Use -1 to use a fourth of the number of samples"/>
+        <param argument="--nsampInPlot" type="integer" value="100000" min="1" label="Approximate number of samples to use in plots"/>   
+    </xml>
+    <xml name="macro_prettybins_1d">
+        <param argument="--prettyBins" type="integer" value="-1" min="-1" label="Number of bins to use in plots." help="Use -1 to use the number of bins used in MCMC"/>   
+    </xml>
+    <xml name="macro_prettybins_axis" token_axis="x">
+        <param argument="--prettyBins@AXIS@" type="integer" value="-1" min="-1" label="Number of bins to use in @AXIS@ in plots." help="Use -1 to use the number of bins used in MCMC"/>   
+    </xml>
+    <xml name="macro_splity">
+        <param argument="--splity" type="text" value="" label="Threshold values separated by space to plot the density for genex for 2 categories in geney values" help="Leave empty if you don't need this type of analysis.">
+            <validator type="regex">(-?[0-9]+( -?[0-9]+)*)?</validator>
+        </param>
+    </xml>
+    <xml name="macro_colorscale">
+        <param argument="--log1pColorScale" type="boolean" truevalue="--log1pColorScale" falsevalue="" checked="false" label="Enable to see regions in plot with low proportion of cells"/>
+    </xml>
+    <xml name="macro_advanced_common_axis" token_axis="x" token_default_osamppdf="5">
+        <param argument="--osamp@AXIS@" type="integer" min="1" value="10" label="Oversampling factor of @AXIS@ values when evaluating PDF of Poisson distribution." />
+        <param argument="--osamp@AXIS@pdf" type="integer" value="@DEFAULT_OSAMPPDF@" label="Oversampling factor of @AXIS@ values when evaluating PDF at each step of the MCMC."/>
+    </xml>
+    <xml name="macro_advanced_evidence">
+        <param argument="--coviscale" type="float" value="1" label="Scale factor to apply to covariance of parameters to get random parameters in logevidence evaluation." />
+        <param argument="--nis" type="integer" value="1000" label="Size of sampling of random parameters in logevidence evaluation." />
+    </xml>
+    <xml name="macro_advanced_common_baredSC">
+        <conditional name="burn">
+            <param name="custom" type="select" label="Custom parameters of the burning phase of MCMC">
+                <option value="no">No</option>
+                <option value="yes">Yes</option>
+            </param>
+            <when value="no"/>
+            <when value="yes">
+                <param argument="--nsampBurnMCMC" type="integer" value="-1" label="Number of samplings (iterations) in the burning phase of mcmc (Set -1 for a fourth of total number of samples)" />
+                <param argument="--T0BurnMCMC" type="float" value="100" label="Initial temperature in the burning phase of MCMC" min="1"/>
+            </when>
+        </conditional>
+    </xml>
+    <xml name="macro_scaleprior">
+        <param argument="--scalePrior" type="float" value="0.3" label="Scale of the truncnorm used in the prior for the correlation."/>
+    </xml>
+    <token name="@REQUIRED_INPUTS_1D@" ><![CDATA[
+        #if str( $input_counts.filetype ) == "tabular":
+            --input '$input_counts.input'
+        #elif str( $input_counts.filetype ) == "anndata":
+            --inputAnnData '$input_counts.inputAnnData'
+        #end if
+        --geneColName '$geneColName'
+    ]]></token>
+    <token name="@REQUIRED_INPUTS_2D@" ><![CDATA[
+        #if str( $input_counts.filetype ) == "tabular":
+            --input '$input_counts.input'
+        #elif str( $input_counts.filetype ) == "anndata":
+            --inputAnnData '$input_counts.inputAnnData'
+        #end if
+        --geneXColName '$geneXColName'
+        --geneYColName '$geneYColName'
+    ]]></token>
+    <token name="@FILTER_CELLS@" ><![CDATA[
+        #if str( $filter.nb ) == "1":
+            --metadata1ColName '$filter.metadata1ColName'
+            --metadata1Values '$filter.metadata1Values'
+        #elif str( $filter.nb ) == "2":
+            --metadata1ColName '$filter.metadata1ColName'
+            --metadata1Values '$filter.metadata1Values'
+            --metadata2ColName '$filter.metadata2ColName'
+            --metadata2Values '$filter.metadata2Values'
+        #elif str( $filter.nb ) == "3":
+            --metadata1ColName '$filter.metadata1ColName'
+            --metadata1Values '$filter.metadata1Values'
+            --metadata2ColName '$filter.metadata2ColName'
+            --metadata2Values '$filter.metadata2Values'
+            --metadata3ColName '$filter.metadata3ColName'
+            --metadata3Values '$filter.metadata3Values'
+        #end if    
+    ]]></token>
+    <token name="@MCMC_1D@" ><![CDATA[
+        --xmin $MCMC.xmin
+        --xmax $MCMC.xmax
+        --xscale '$MCMC.scale.type'
+        #if str( $MCMC.scale.type ) == "Seurat":
+            --targetSum $MCMC.scale.targetSum
+        #end if
+        --nx $MCMC.nx
+        --minScale $MCMC.minScalex
+        --seed $MCMC.seed
+    ]]></token>
+    <token name="@MCMC_2D@" ><![CDATA[
+        --xmin $MCMC.xmin
+        --xmax $MCMC.xmax
+        --nx $MCMC.nx
+        --minScalex $MCMC.minScalex
+        --ymin $MCMC.ymin
+        --ymax $MCMC.ymax
+        --ny $MCMC.ny
+        --minScaley $MCMC.minScaley
+        --scale '$MCMC.scale.type'
+        #if str( $MCMC.scale.type ) == "Seurat":
+            --targetSum $MCMC.scale.targetSum
+        #end if
+        --seed $MCMC.seed
+    ]]></token>
+    <token name="@BAREDSC_COMMON@" ><![CDATA[
+        --nnorm $MCMC.nnorm
+        --nsampMCMC $MCMC.nsampMCMC
+        #if str( $MCMC.automaticRestart.set_minNeff ) == "yes":
+            --minNeff $MCMC.automaticRestart.minNeff
+        #end if
+    ]]></token>
+    <token name="@PLOTS@" ><![CDATA[
+        #if str( $plots.title ) != '':
+            --title '$plots.title'
+        #end if
+        #if $plots.removeFirstSamples != -1:
+            --removeFirstSamples $plots.removeFirstSamples
+        #end if
+        --nsampInPlot $plots.nsampInPlot
+    ]]></token>
+    <token name="@PRETTYBINS_1D@" ><![CDATA[
+        #if $plots.prettyBins != -1:
+            --prettyBins $plots.prettyBins
+        #end if    
+    ]]></token>
+    <token name="@PRETTYBINS_SPLITY_COLORSCALE_2D@" ><![CDATA[
+        #if $plots.prettyBinsx != -1:
+            --prettyBinsx $plots.prettyBinsx
+        #end if
+        #if $plots.prettyBinsy != -1:
+            --prettyBinsy $plots.prettyBinsy
+        #end if
+        ## splity is space separated floats
+        #if str($plots.splity) != '':
+            --splity $plots.splity
+        #end if
+        #if str($plots.log1pColorScale) != '':
+            '$plots.log1pColorScale'
+        #end if
+    ]]></token>
+    <token name="@ADVANCED_COMMON_X@" ><![CDATA[
+        --osampx $advanced.osampx
+        --osampxpdf $advanced.osampxpdf
+        --coviscale $advanced.coviscale
+        --nis $advanced.nis
+    ]]></token>
+    <token name="@ADVANCED_COMMON_COMPLEMENT_2D@" ><![CDATA[
+        --osampy $advanced.osampy
+        --osampypdf $advanced.osampypdf
+        --scalePrior $advanced.scalePrior
+    ]]></token>
+    <token name="@ADVANCED_BAREDSC_COMMON@" ><![CDATA[
+        #if str( $advanced.burn.custom ) == "yes":
+            #if str( $advanced.burn.nsampBurnMCMC ) != "-1":
+                --nsampBurnMCMC $advanced.burn.nsampBurnMCMC
+            #end if
+            --T0BurnMCMC $advanced.burn.T0BurnMCMC
+        #end if
+    ]]></token>
+    <token name="@COMBINE_OUTPUTS@"><![CDATA[
+        --outputs
+        #for $i, $output in enumerate($MCMC.outputs):
+            $i
+        #end for
+    ]]></token>
+    <token name="@ORDER_OUTPUTS_1D@"><![CDATA[
+        mv baredSC_pdf.txt output &&
+        mv baredSC.$plots.image_file_format baredSC &&
+        gunzip baredSC_means.txt.gz
+    ]]></token>
+    <token name="@ORDER_OUTPUTS_2D@"><![CDATA[
+        mv baredSC_pdf2d.txt output &&
+        mv baredSC_pdf2d_flat.txt output &&
+        mv baredSC.$plots.image_file_format baredSC
+        #if str($plots.splity) != '':
+            #for $value in str($plots.splity).split(' '):
+                && mv baredSC_split'$value'.txt baredSC_split'$value'_pdf.txt
+            #end for
+        #end if
+    ]]></token>
+</macros>
\ No newline at end of file
Binary file test-data/2d_small_1gauss.npz has changed
Binary file test-data/2d_small_1gauss.png has changed
Binary file test-data/2d_small_2gauss.npz has changed
Binary file test-data/2d_small_2gauss.png has changed
Binary file test-data/2d_small_2gauss_convergence.png has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2d_small_2gauss_corr.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,2 @@
+mean	median	low	high	pval	error
+0.902971588834658	0.9030205591240211	0.8808479278110088	0.9249439927709214	0.007859609399117668	0.007859609399117668
Binary file test-data/2d_small_2gauss_individuals.png has changed
Binary file test-data/2d_small_2gauss_median.png has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2d_small_2gauss_neff.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,1 @@
+127.23278590819812
Binary file test-data/2d_small_2gauss_p.png has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2d_small_2gauss_p.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,12 @@
+name	low	median	high
+xy_mux0	0.3421735749355604	0.36400142067277885	0.38414407467979367
+xy_muy0	0.3602753667616778	0.3797834812619477	0.3997083085113705
+xy_scalex0	0.128373484740148	0.13754306887169315	0.154475100117708
+xy_scaley0	0.11267797849970684	0.13404387324572375	0.1636497454683696
+xy_corr0	-0.056936609709389754	0.20134274953150133	0.4823245136404016
+xy_amp1	0.4683630960583824	0.4935067017747425	0.5184297378623833
+xy_mux1	0.9950898144773097	1.0128387895441175	1.0323483080264237
+xy_muy1	0.9882799141570242	1.0073935336038764	1.0262810747590292
+xy_scalex1	0.12680233831791496	0.1317913482460104	0.1439711554909536
+xy_scaley1	0.10695025120288884	0.11525119819932761	0.13138587521715606
+xy_corr1	0.27825576244514594	0.5311286235242539	0.7541979912185461
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2d_small_2gauss_pdf2d.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,51 @@
+xy	0.025	0.07500000000000001	0.125	0.17500000000000002	0.225	0.275	0.32500000000000007	0.375	0.42500000000000004	0.475	0.525	0.5750000000000001	0.625	0.675	0.7250000000000001	0.775	0.8250000000000001	0.875	0.925	0.9750000000000001	1.025	1.0750000000000002	1.125	1.1750000000000003	1.225	1.275	1.3250000000000002	1.375	1.4250000000000003	1.475	1.525	1.5750000000000002	1.625	1.6750000000000003	1.725	1.775	1.8250000000000002	1.875	1.9250000000000003	1.975	2.0250000000000004	2.075	2.125	2.175	2.225	2.2750000000000004	2.325	2.375	2.4250000000000003	2.475
+2.500000000000001527e-02	3.891025267313832220e-02	6.619362271397291608e-02	9.962032325456805781e-02	1.329150165261198668e-01	1.585042114885953923e-01	1.698631835606070062e-01	1.643453093470616522e-01	1.440979701449102424e-01	1.147229982887641442e-01	8.297593836730705885e-02	5.453632221673256758e-02	3.260197304273629304e-02	1.775351906881531341e-02	8.824550099856330251e-03	4.019653022896153491e-03	1.693722380320050562e-03	6.723899559109907872e-04	2.583744938047211970e-04	9.884221137200835654e-05	3.829570838672849967e-05	1.502388652651616482e-05	5.894092358324372588e-06	2.277322359194214590e-06	8.559947513669245676e-07	3.105071541723489091e-07	1.082088117846700032e-07	3.615050191473302866e-08	1.156966286349393425e-08	3.547337713663130267e-09	1.042332291023246327e-09	2.936144188469572462e-10	7.930373196462731033e-11	2.053722404340254589e-11	5.098316782057429645e-12	1.212828418944710247e-12	2.763685365599003245e-13	6.030215549885882683e-14	1.259510436836432442e-14	2.517728221803534345e-15	4.816310522435080954e-16	8.817026885803886373e-17	1.544792003475728112e-17	2.590716812703897422e-18	4.159550638707556230e-19	6.394785204636262863e-20	9.415173774848427457e-21	1.327729810923157728e-21	1.793526816745113172e-22	2.320809782904078269e-23	2.876730845976302486e-24
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2d_small_2gauss_pdf2d_flat.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,2501 @@
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Binary file test-data/2d_test2.pdf has changed
Binary file test-data/2d_test2_split-10.5.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2d_test2_split-10.5.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,26 @@
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Binary file test-data/2d_test2_split-10.5_renorm.pdf has changed
Binary file test-data/2d_test2_split-9.5.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2d_test2_split-9.5.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,26 @@
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Binary file test-data/2d_test2_split-9.5_renorm.pdf has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/generate_small_inputs_for_combine.sh	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,6 @@
+for nnorm in 1 2; do
+    baredSC_1d --input test-data/nih3t3_generated_2d_2.txt --geneColName 0.5_0_0_0.5_x --nnorm ${nnorm} --output test-data/small_${nnorm}gauss --figure test-data/small_${nnorm}gauss.png --nx 10 --prettyBins 100 --nsampMCMC 20000 --force
+done
+for nnorm in 1 2; do
+    baredSC_2d  --input test-data/nih3t3_generated_2d_2.txt --geneXColName '0.5_0_0_0.5_x' --geneYColName '0.5_0_0_0.5_y' --nnorm ${nnorm} --output test-data/2d_small_${nnorm}gauss --figure test-data/2d_small_${nnorm}gauss.png --nx 10 --ny 12 --prettyBinsx 50 --prettyBinsy 50 --nsampMCMC 20000 --force
+done
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/nih3t3_generated_2d_2.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,2362 @@
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Binary file test-data/small_1gauss.npz has changed
Binary file test-data/small_1gauss.png has changed
Binary file test-data/small_2gauss.npz has changed
Binary file test-data/small_2gauss.png has changed
Binary file test-data/small_2gauss_convergence.png has changed
Binary file test-data/small_2gauss_corner.png has changed
Binary file test-data/small_2gauss_individuals.png has changed
Binary file test-data/small_2gauss_means.txt.gz has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/small_2gauss_neff.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,1 @@
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Binary file test-data/small_2gauss_p.png has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/small_2gauss_p.txt	Mon Oct 02 13:25:17 2023 +0000
@@ -0,0 +1,6 @@
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
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Binary file test-data/small_2gauss_posterior_andco.png has changed
Binary file test-data/small_2gauss_posterior_individuals.png has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/small_2gauss_posterior_per_cell.txt	Mon Oct 02 13:25:17 2023 +0000
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