changeset 0:31a8c822882f draft default tip

planemo upload for repository https://github.com/ebi-gene-expression-group/container-galaxy-sc-tertiary/ commit 6f7bc53bd9da7ee2a480b5aa2d1825209738c4c4

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/get_test_data.sh	Sun Sep 15 10:13:34 2024 +0000
@@ -0,0 +1,28 @@
+#!/usr/bin/env bash
+TF_DATA_LINK='https://raw.githubusercontent.com/aertslab/scenic-nf/master/example/allTFs_hg38.txt'
+MOTIF2TF_LINK='https://raw.githubusercontent.com/aertslab/scenic-nf/master/example/motifs.tbl'
+RANKING_LINK='https://zenodo.org/records/13328724/files/genome-ranking_v2.feather'
+LOOM_INPUT_LINK='https://raw.githubusercontent.com/aertslab/scenic-nf/master/example/expr_mat.loom'
+
+REGULONS_LINK='https://zenodo.org/records/13328724/files/regulons.tsv'
+TF2TARGETS_LINK='https://zenodo.org/records/13328724/files/tf2targets.tsv'
+
+function get_data {
+  local link=$1
+  local fname=$2
+
+  if [ ! -f $fname ]; then
+    echo "$fname not available locally, downloading.."
+    wget -O $fname --retry-connrefused --waitretry=1 --read-timeout=20 --timeout=15 -t 3 $link
+  fi
+}
+
+# get matrix data
+mkdir -p test-data
+pushd test-data
+get_data $TF_DATA_LINK "allTFs_hg38.txt"
+get_data $MOTIF2TF_LINK "motifs.tbl"
+get_data $RANKING_LINK "genome-ranking_v2.feather"
+get_data $LOOM_INPUT_LINK "expr_mat.loom"
+get_data $REGULONS_LINK regulons.tsv
+get_data $TF2TARGETS_LINK tf2targets.tsv
\ No newline at end of file

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Sun Sep 15 10:13:34 2024 +0000
@@ -0,0 +1,15 @@
+<macros>
+    <token name="@TOOL_VERSION@">0.12.1</token>
+    <xml name="requirements">
+        <requirements>
+            <container type="docker">
+            aertslab/pyscenic:@TOOL_VERSION@
+        </container>
+        </requirements>
+    </xml>
+    <xml name="citations">
+        <citations>
+            <citation type="doi">10.1038/nmeth.4463</citation>
+        </citations>
+    </xml>
+</macros>

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/pyscenic_binarize_aucell.py	Sun Sep 15 10:13:34 2024 +0000
@@ -0,0 +1,50 @@
+import argparse
+
+import pandas as pd
+from pyscenic.binarization import binarize
+
+if __name__ == "__main__":
+    parser = argparse.ArgumentParser(description="Binarize AUC matrix")
+    parser.add_argument("input_file", help="Input TSV or CSV file")
+    parser.add_argument(
+        "--threshold-overrides",
+        type=str,
+        help="Threshold overrides in JSON format",
+    )
+    parser.add_argument("--seed", type=int, default=None, help="Random seed")
+    parser.add_argument(
+        "--num-workers", type=int, default=1, help="Number of workers"
+    )
+    parser.add_argument(
+        "--output-prefix", type=str, default="output", help="Output prefix"
+    )
+
+    args = parser.parse_args()
+
+    # Read input file
+    if args.input_file.endswith(".tsv"):
+        auc_mtx = pd.read_csv(args.input_file, sep="\t", index_col=0)
+    elif args.input_file.endswith(".csv"):
+        auc_mtx = pd.read_csv(args.input_file, index_col=0)
+    else:
+        raise ValueError("Input file must be a TSV or CSV file")
+
+    auc_mtx.apply(pd.to_numeric)
+    # Parse threshold overrides
+    threshold_overrides = None
+    if args.threshold_overrides:
+        import json
+
+        threshold_overrides = json.loads(args.threshold_overrides)
+
+    # Call binarize function
+    binarized_mtx, thresholds = binarize(
+        auc_mtx, threshold_overrides, args.seed, args.num_workers
+    )
+
+    # set column name for thresholds
+    thresholds.rename("threshold", inplace=True)
+
+    # Save output files
+    binarized_mtx.to_csv(f"{args.output_prefix}/binarized_mtx.tsv", sep="\t")
+    thresholds.to_csv(f"{args.output_prefix}/thresholds.tsv", sep="\t")

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/pyscenic_binarize_aucell.xml	Sun Sep 15 10:13:34 2024 +0000
@@ -0,0 +1,81 @@
+<tool id="pyscenic_binarize" name="PySCENIC Binarize AUCell" profile="21.09" version="@TOOL_VERSION@+galaxy0">
+    <description>defines AUCell thresholds and tags cells as passing it or not</description>
+    <macros>
+        <import>macros.xml</import>
+    </macros>
+    <expand macro="requirements"/>
+    <command detect_errors="exit_code">
+        <![CDATA[
+        ln -s $input_file aucell.tsv &&
+        python '$__tool_directory__/pyscenic_binarize_aucell.py'
+        #if $threshold_overrides
+            --threshold-overrides '$threshold_overrides'
+        #end if
+        #if $seed
+            --seed '$seed'
+        #end if
+        --num-workers \${GALAXY_SLOTS:-1}
+        --output-prefix ./
+        aucell.tsv
+        ]]>
+    </command>
+    <inputs>
+        <param name="input_file" type="data" format="tabular,txt" label="Input AUC matrix"/>
+        <param name="threshold_overrides" type="text" optional="true" label="Threshold overrides in JSON format" help="Override default threshold values for binarization"/>
+        <param name="seed" type="integer" optional="true" label="Random seed"/>
+    </inputs>
+    <outputs>
+        <data name="binarized_mtx" format="tsv" label="${tool.name} on ${on_string}: Binarized AUC matrix" from_work_dir="binarized_mtx.tsv"/>
+        <data name="thresholds" format="tsv" label="${tool.name} on ${on_string}: Binarization thresholds" from_work_dir="thresholds.tsv"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="input_file" value="aucell_test_smaller.tsv"/>
+            <param name="seed" value="10"/>
+            <output name="binarized_mtx">
+                <assert_contents>
+                    <has_text_matching expression="D124DE\t0\t1"/>
+                    <has_n_lines n="5001"/>
+                </assert_contents>
+            </output>
+            <output name="thresholds">
+                <assert_contents>
+                    <has_text text="AUCell_1"/>
+                    <has_n_lines n="3"/>
+                </assert_contents>
+            </output>
+        </test>
+    </tests>
+    <help>
+        <![CDATA[
+        **What it does**
+
+        This tool binarizes an AUC matrix using the `binarize` function from the `pySCENIC` package. 
+        It produces a classification of the cell per given AUCell into passing or not passing an
+        automatically defined threshold, through binarization (when possible) of the AUCell distribution.
+        See the SCENIC paper or the PySCENIC notebooks for more details.
+
+        **Input**
+
+        - Input AUC matrix (TSV): The AUC matrix to be binarized (first column expected to be cell identifiers).
+        - Threshold overrides in JSON format (optional): Override default threshold values for binarization.
+        - Random seed (optional): Seed for random number generation.
+
+        **Output**
+
+        - Binarized AUC matrix: The binarized AUC matrix.
+        - Binarization thresholds: The threshold values used for binarization.
+
+        **Example**
+
+        Input AUC matrix (tsv file, as generated by the PySCENIC AUCell or Decoupler AUCell tools):
+        ```
+                 AUCellA  AUCellB  AUCellC
+        cell1    0.024    0.045    0.001
+        cell2    0.136    0.024    0.045
+        cellN    0.001    0.347    0.136
+        ```
+        ]]>
+    </help>
+    <expand macro="citations"/>
+</tool>

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/aucell_test_smaller.tsv	Sun Sep 15 10:13:34 2024 +0000
@@ -0,0 +1,5001 @@
+cell	AUCell_1	AUCell_2
+B5FB4E	0.009497953	0.05208691
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+F0EE20	0.017082525	0.0250074
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+1092D5	0.003283775	0.016328223
+F6D1B0	0.024744667	0.0053519625
+1BCD8F	0.00055160525	0.033662897
+34E81A	0.0065847877	0.050298978
+03D2DE	2.5856496e-05	0.048629448
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