diff --git a/.github/workflows/python-app.yml b/.github/workflows/python-app.yml
index e4452b5..b32cb4a 100644
--- a/.github/workflows/python-app.yml
+++ b/.github/workflows/python-app.yml
@@ -18,7 +18,8 @@ jobs:
steps:
- - uses: actions/checkout@v4
+ - name: Checkout code with submodules
+ uses: actions/checkout@v4
- name: Set up Python
uses: actions/setup-python@v5
@@ -36,4 +37,5 @@ jobs:
- name: Test with pytest
run: |
- poetry run pytest
+ poetry run pytest -s
+ working-directory: ${{ github.workspace }}
diff --git a/.gitmodules b/.gitmodules
new file mode 100644
index 0000000..39a9e58
--- /dev/null
+++ b/.gitmodules
@@ -0,0 +1,3 @@
+[submodule "data/nf1_schwann_cell_painting_data"]
+ path = data/nf1_schwann_cell_painting_data
+ url = git@github.com:WayScience/nf1_schwann_cell_painting_data.git
diff --git a/README.md b/README.md
index 3dec6e3..c878769 100644
--- a/README.md
+++ b/README.md
@@ -1 +1,28 @@
-# pairwise_compare
\ No newline at end of file
+# Pairwise Compare
+This tool allows the user to compare groups of data specified in a tidy-wide pandas dataframe with ease.
+In this repo the capabilities of the PairwiseCompareManger are shown through an example using the nuclear speckle data (`example_pairwise_comparisons.ipynb`).
+Although, most of the development efforts can be found in the `src` folder.
+Users should almost exclusively interact with the PairwiseCompareManager, however, there may be rare exceptions.
+If you choose to interact with another component of the tool, then there will be less input validation safeguards available.
+
+## Data Formats
+When passing arguments to the `PairwiseCompareManager` you can specify the columns that remain the same in each group-to-group comparison, and the columns that will be different in these comparisons.
+These columns are parameterized by `_same_columns` and `_different_columns`, respectively.
+The column values in these columns uniquely define each group.
+During pairwise comparisons of groups, all of the column values of the columns specified in `_same_columns` will be the same between both groups compared for all paired combinations of groups.
+Likewise, all of the column values of the columns specified in `_different_columns` will be different between both groups compared for all paired combinations of groups.
+
+One of the following column arguments conditions must be satisified when using the `PairwiseCompareManager`:
+1. `_same_columns` must include at least one list element if `_different_columns` has less than two list elements.
+2. `_different_columns` must contain one or more list elements.
+3. `_same_columns` and `_different_columns` should not contain any of the same columns.
+
+## Limitations
+1. Input validation is enforced in the `PairwiseCompareManager` and `PairwiseCompare` classes.
+2. Additional column values are not tracked aside from columns used to compare groups (_same_columns, _different_columns).
+3. Output and input python data structures are limited.
+4. All of the data, in the supplied pandas dataframe, is used to compute comparisons.
+
+## Extensibility
+This tool compares features between any two groups of a tidy-wide pandas dataframe.
+To incorporate additional comparators for making comparisons, you must introduce the functionality as a class and inherit from the `Comparator` class (See `Comparator.py` for details).
diff --git a/data/Plate_4_bulk_feature_selected.parquet b/data/Plate_4_bulk_feature_selected.parquet
new file mode 100644
index 0000000..4052d9a
Binary files /dev/null and b/data/Plate_4_bulk_feature_selected.parquet differ
diff --git a/data/nf1_schwann_cell_painting_data b/data/nf1_schwann_cell_painting_data
new file mode 160000
index 0000000..74069b9
--- /dev/null
+++ b/data/nf1_schwann_cell_painting_data
@@ -0,0 +1 @@
+Subproject commit 74069b98883320bf0a5e755d76453edd6ae1e7e7
diff --git a/docs/example_pairwise_comparisons.ipynb b/docs/example_pairwise_comparisons.ipynb
new file mode 100644
index 0000000..1e7e6d9
--- /dev/null
+++ b/docs/example_pairwise_comparisons.ipynb
@@ -0,0 +1,1079 @@
+{
+ "cells": [
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "iPcbHzi4Te"
+ },
+ "source": [
+ "# Examples of using the PairwiseCompareManager\n",
+ "This notebook shows examples on the NF1 dataset of how to compare instances of different groups.\n",
+ "Each instance is a unique well with Schwann Cells."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 1,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:49:54.609480Z",
+ "iopub.status.busy": "2024-11-20T20:49:54.609363Z",
+ "iopub.status.idle": "2024-11-20T20:49:54.802182Z",
+ "shell.execute_reply": "2024-11-20T20:49:54.801698Z"
+ },
+ "jukit_cell_id": "JlHVCFc6jg"
+ },
+ "outputs": [],
+ "source": [
+ "import pathlib\n",
+ "import sys\n",
+ "\n",
+ "import pandas as pd"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "D89Os0yFLC"
+ },
+ "source": [
+ "# Custom Imports"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 2,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:49:54.803965Z",
+ "iopub.status.busy": "2024-11-20T20:49:54.803771Z",
+ "iopub.status.idle": "2024-11-20T20:49:54.806859Z",
+ "shell.execute_reply": "2024-11-20T20:49:54.806473Z"
+ },
+ "jukit_cell_id": "KnQdvFxPkd"
+ },
+ "outputs": [],
+ "source": [
+ "from comparators.PearsonsCorrelation import PearsonsCorrelation\n",
+ "from comparison_tools.PairwiseCompareManager import PairwiseCompareManager"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "fIxGUGaKkR"
+ },
+ "source": [
+ "# Inputs"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 3,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:49:54.808060Z",
+ "iopub.status.busy": "2024-11-20T20:49:54.807870Z",
+ "iopub.status.idle": "2024-11-20T20:49:54.858284Z",
+ "shell.execute_reply": "2024-11-20T20:49:54.857869Z"
+ },
+ "jukit_cell_id": "dlU1p2c9cE"
+ },
+ "outputs": [],
+ "source": [
+ "# Paths to original nuclear speckle data\n",
+ "data_dir = pathlib.Path(\n",
+ " \"../data/nf1_schwann_cell_painting_data/3.processing_features/data/bulk_profiles\"\n",
+ ").resolve(strict=True)\n",
+ "\n",
+ "plate4df = pd.read_parquet(data_dir / \"Plate_4_bulk_feature_selected.parquet\")"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "ecmR6GvGEY"
+ },
+ "source": [
+ "# Process Plate 4\n",
+ "Each instance (row) represents a unique well."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 4,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:49:54.859806Z",
+ "iopub.status.busy": "2024-11-20T20:49:54.859654Z",
+ "iopub.status.idle": "2024-11-20T20:49:54.879948Z",
+ "shell.execute_reply": "2024-11-20T20:49:54.879552Z"
+ },
+ "jukit_cell_id": "gQ5lHlQ04X"
+ },
+ "outputs": [
+ {
+ "data": {
+ "text/html": [
+ "
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+ " Metadata_Plate | \n",
+ " Metadata_Well | \n",
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+ " Nuclei_Texture_InverseDifferenceMoment_DAPI_3_00_256 | \n",
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+ " Nuclei_Texture_InverseDifferenceMoment_GFP_3_02_256 | \n",
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+ " B6 | \n",
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+ " -0.996690 | \n",
+ " 0.151230 | \n",
+ " 2.010409 | \n",
+ "
\n",
+ " \n",
+ "
\n",
+ "
5 rows × 1182 columns
\n",
+ "
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+ ],
+ "text/plain": [
+ " Metadata_WellRow Metadata_WellCol Metadata_gene_name Metadata_genotype \\\n",
+ "0 B 2 NF1 WT \n",
+ "1 B 3 NF1 WT \n",
+ "2 B 4 NF1 WT \n",
+ "3 B 5 NF1 WT \n",
+ "4 B 6 NF1 WT \n",
+ "\n",
+ " Metadata_seed_density Metadata_siRNA Metadata_RNAiMax \\\n",
+ "0 1000 No siRNA 0 \n",
+ "1 1000 Scramble 1 \n",
+ "2 1000 Scramble 1 \n",
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+ "4 1000 Scramble 1 \n",
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+ "1 0.050 Plate_4 B3 ... \n",
+ "2 0.005 Plate_4 B4 ... \n",
+ "3 0.000 Plate_4 B5 ... \n",
+ "4 0.005 Plate_4 B6 ... \n",
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+ "1 -0.342180 \n",
+ "2 -0.340360 \n",
+ "3 -0.310826 \n",
+ "4 -0.996690 \n",
+ "\n",
+ " Nuclei_Texture_SumEntropy_DAPI_3_03_256 \\\n",
+ "0 -1.448158 \n",
+ "1 1.306905 \n",
+ "2 -1.806753 \n",
+ "3 -1.312691 \n",
+ "4 0.151230 \n",
+ "\n",
+ " Nuclei_Texture_SumVariance_DAPI_3_01_256 \n",
+ "0 0.031227 \n",
+ "1 0.344522 \n",
+ "2 0.169433 \n",
+ "3 -0.182742 \n",
+ "4 2.010409 \n",
+ "\n",
+ "[5 rows x 1182 columns]"
+ ]
+ },
+ "execution_count": 4,
+ "metadata": {},
+ "output_type": "execute_result"
+ }
+ ],
+ "source": [
+ "plate4df[\"Metadata_siRNA\"] = plate4df[\"Metadata_siRNA\"].fillna(\"No siRNA\")\n",
+ "\n",
+ "feat_cols = plate4df.columns[~plate4df.columns.str.contains(\"Metadata\")].tolist()\n",
+ "\n",
+ "plate4df.head()"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 5,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:49:54.908736Z",
+ "iopub.status.busy": "2024-11-20T20:49:54.908481Z",
+ "iopub.status.idle": "2024-11-20T20:49:54.911271Z",
+ "shell.execute_reply": "2024-11-20T20:49:54.910851Z"
+ },
+ "jukit_cell_id": "ybX13ZBK8Q"
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "\n",
+ "Input Dataframe shape: (60, 1182)\n",
+ "\n"
+ ]
+ }
+ ],
+ "source": [
+ "print(f\"\\nInput Dataframe shape: {plate4df.shape}\\n\")"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "C6AaBtUOCj"
+ },
+ "source": [
+ "# siRNA Comparisons\n",
+ "In this dataset, each instance (row) corresponds to a well.\n",
+ "When using the PairwiseCompareManager the _same_columns and _different_columns parameters must follow three conditions:\n",
+ "1. _same_columns must include at least one list element if _different_columns has less than two list elements.\n",
+ "2. _different_columns must contain one or more list elements.\n",
+ "3. _same_columns and _different_columns should not contain any of the same columns."
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "6gx14BlSwz"
+ },
+ "source": [
+ "## Compare between wells and siRNA treatments with the same concentration"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 6,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:49:54.912597Z",
+ "iopub.status.busy": "2024-11-20T20:49:54.912443Z",
+ "iopub.status.idle": "2024-11-20T20:50:18.852487Z",
+ "shell.execute_reply": "2024-11-20T20:50:18.851928Z"
+ },
+ "jukit_cell_id": "CRa8vLBRj8"
+ },
+ "outputs": [],
+ "source": [
+ "pearsons_comparator = PearsonsCorrelation()\n",
+ "\n",
+ "comparer = PairwiseCompareManager(\n",
+ " _df=plate4df.copy(),\n",
+ " _comparator=pearsons_comparator,\n",
+ " _different_columns=[\"Metadata_Concentration\", \"Metadata_Well\"],\n",
+ " _feat_cols=feat_cols,\n",
+ ")\n",
+ "\n",
+ "micdf = comparer()"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 7,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:18.854369Z",
+ "iopub.status.busy": "2024-11-20T20:50:18.854227Z",
+ "iopub.status.idle": "2024-11-20T20:50:18.859557Z",
+ "shell.execute_reply": "2024-11-20T20:50:18.859137Z"
+ },
+ "jukit_cell_id": "cGLOXfXNrN"
+ },
+ "outputs": [
+ {
+ "data": {
+ "text/html": [
+ "\n",
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+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:18.860877Z",
+ "iopub.status.busy": "2024-11-20T20:50:18.860753Z",
+ "iopub.status.idle": "2024-11-20T20:50:18.863242Z",
+ "shell.execute_reply": "2024-11-20T20:50:18.862831Z"
+ },
+ "jukit_cell_id": "qzMvL0c8sb"
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "\n",
+ "Output Dataframe shape: (1485, 5)\n",
+ "\n"
+ ]
+ }
+ ],
+ "source": [
+ "print(f\"\\nOutput Dataframe shape: {micdf.shape}\\n\")"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 9,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:18.864585Z",
+ "iopub.status.busy": "2024-11-20T20:50:18.864386Z",
+ "iopub.status.idle": "2024-11-20T20:50:18.866710Z",
+ "shell.execute_reply": "2024-11-20T20:50:18.866284Z"
+ },
+ "jukit_cell_id": "7modF1v2ll"
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Output Dataframe Columns:\n",
+ "['pearsons_correlation', 'Metadata_Concentration__antehoc_group0', 'Metadata_Concentration__antehoc_group1', 'Metadata_Well__posthoc_group0', 'Metadata_Well__posthoc_group1']\n"
+ ]
+ }
+ ],
+ "source": [
+ "print(f\"Output Dataframe Columns:\\n{micdf.columns.tolist()}\")"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "ucjifXHnJI"
+ },
+ "source": [
+ "## Compare between different siRNAs and Wells at the same concentrations"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 10,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:18.868054Z",
+ "iopub.status.busy": "2024-11-20T20:50:18.867853Z",
+ "iopub.status.idle": "2024-11-20T20:50:21.073683Z",
+ "shell.execute_reply": "2024-11-20T20:50:21.073012Z"
+ },
+ "jukit_cell_id": "JPLwsPbVsU"
+ },
+ "outputs": [],
+ "source": [
+ "pearsons_comparator = PearsonsCorrelation()\n",
+ "\n",
+ "comparer = PairwiseCompareManager(\n",
+ " _df=plate4df.copy(),\n",
+ " _comparator=pearsons_comparator,\n",
+ " _same_columns=[\"Metadata_Concentration\"],\n",
+ " _different_columns=[\"Metadata_siRNA\", \"Metadata_Well\"],\n",
+ " _feat_cols=feat_cols,\n",
+ ")\n",
+ "\n",
+ "micdf = comparer()"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 11,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:21.075720Z",
+ "iopub.status.busy": "2024-11-20T20:50:21.075582Z",
+ "iopub.status.idle": "2024-11-20T20:50:21.082659Z",
+ "shell.execute_reply": "2024-11-20T20:50:21.082162Z"
+ },
+ "jukit_cell_id": "lFR01EXVLC"
+ },
+ "outputs": [
+ {
+ "data": {
+ "text/html": [
+ "\n",
+ "\n",
+ "
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+ " \n",
+ " \n",
+ " | \n",
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+ " Metadata_Concentration__antehoc_group1 | \n",
+ " Metadata_siRNA__posthoc_group0 | \n",
+ " Metadata_siRNA__posthoc_group1 | \n",
+ " Metadata_Well__posthoc_group0 | \n",
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+ " pearsons_correlation Metadata_Concentration__antehoc_group0 \\\n",
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+ "2 (0.001,) NF1 Target 1 \n",
+ "3 (0.001,) NF1 Target 1 \n",
+ "4 (0.001,) NF1 Target 1 \n",
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+ " Metadata_siRNA__posthoc_group1 Metadata_Well__posthoc_group0 \\\n",
+ "0 NF1 Target 2 F10 \n",
+ "1 NF1 Target 2 F10 \n",
+ "2 NF1 Target 2 F10 \n",
+ "3 Scramble F10 \n",
+ "4 Scramble F10 \n",
+ "\n",
+ " Metadata_Well__posthoc_group1 \n",
+ "0 G10 \n",
+ "1 G4 \n",
+ "2 G7 \n",
+ "3 E10 \n",
+ "4 E4 "
+ ]
+ },
+ "execution_count": 11,
+ "metadata": {},
+ "output_type": "execute_result"
+ }
+ ],
+ "source": [
+ "micdf.head()"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 12,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:21.084095Z",
+ "iopub.status.busy": "2024-11-20T20:50:21.083878Z",
+ "iopub.status.idle": "2024-11-20T20:50:21.086579Z",
+ "shell.execute_reply": "2024-11-20T20:50:21.086101Z"
+ },
+ "jukit_cell_id": "EiRceI8zqd"
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "\n",
+ "Output Dataframe shape: (135, 7)\n",
+ "\n"
+ ]
+ }
+ ],
+ "source": [
+ "print(f\"\\nOutput Dataframe shape: {micdf.shape}\\n\")"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 13,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:21.087886Z",
+ "iopub.status.busy": "2024-11-20T20:50:21.087685Z",
+ "iopub.status.idle": "2024-11-20T20:50:21.090254Z",
+ "shell.execute_reply": "2024-11-20T20:50:21.089796Z"
+ },
+ "jukit_cell_id": "uHLGwABthL"
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Output Dataframe Columns:\n",
+ "['pearsons_correlation', 'Metadata_Concentration__antehoc_group0', 'Metadata_Concentration__antehoc_group1', 'Metadata_siRNA__posthoc_group0', 'Metadata_siRNA__posthoc_group1', 'Metadata_Well__posthoc_group0', 'Metadata_Well__posthoc_group1']\n"
+ ]
+ }
+ ],
+ "source": [
+ "print(f\"Output Dataframe Columns:\\n{micdf.columns.tolist()}\")"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {
+ "jukit_cell_id": "K9KWpg6A7A"
+ },
+ "source": [
+ "## Compare between different stains, conditions, and wells\n",
+ "Supplying the _drop_cols parameter excludes wells from the output dataframe, even though wells are used to compare groups."
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 14,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:21.091752Z",
+ "iopub.status.busy": "2024-11-20T20:50:21.091431Z",
+ "iopub.status.idle": "2024-11-20T20:50:23.281074Z",
+ "shell.execute_reply": "2024-11-20T20:50:23.280435Z"
+ },
+ "jukit_cell_id": "OHRc2Dyid6"
+ },
+ "outputs": [],
+ "source": [
+ "pearsons_comparator = PearsonsCorrelation()\n",
+ "\n",
+ "comparer = PairwiseCompareManager(\n",
+ " _df=plate4df.copy(),\n",
+ " _comparator=pearsons_comparator,\n",
+ " _same_columns=[\"Metadata_Concentration\"],\n",
+ " _different_columns=[\"Metadata_siRNA\", \"Metadata_Well\"],\n",
+ " _feat_cols=feat_cols,\n",
+ " _drop_cols=[\"Metadata_Concentration\", \"Metadata_Well\"],\n",
+ ")\n",
+ "\n",
+ "micdf = comparer()"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 15,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:23.282755Z",
+ "iopub.status.busy": "2024-11-20T20:50:23.282624Z",
+ "iopub.status.idle": "2024-11-20T20:50:23.288081Z",
+ "shell.execute_reply": "2024-11-20T20:50:23.287679Z"
+ },
+ "jukit_cell_id": "rGAPBpItug"
+ },
+ "outputs": [
+ {
+ "data": {
+ "text/html": [
+ "\n",
+ "\n",
+ "
\n",
+ " \n",
+ " \n",
+ " | \n",
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+ " Metadata_siRNA__posthoc_group1 | \n",
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+ " pearsons_correlation Metadata_siRNA__posthoc_group0 \\\n",
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+ " Metadata_siRNA__posthoc_group1 \n",
+ "0 (NF1 Target 2, G10) \n",
+ "1 (NF1 Target 2, G4) \n",
+ "2 (NF1 Target 2, G7) \n",
+ "3 (Scramble, E10) \n",
+ "4 (Scramble, E4) "
+ ]
+ },
+ "execution_count": 15,
+ "metadata": {},
+ "output_type": "execute_result"
+ }
+ ],
+ "source": [
+ "micdf.head()"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 16,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:23.289299Z",
+ "iopub.status.busy": "2024-11-20T20:50:23.289187Z",
+ "iopub.status.idle": "2024-11-20T20:50:23.291803Z",
+ "shell.execute_reply": "2024-11-20T20:50:23.291348Z"
+ },
+ "jukit_cell_id": "zZHKZyRQcw"
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "\n",
+ "Output Dataframe shape: (135, 3)\n",
+ "\n"
+ ]
+ }
+ ],
+ "source": [
+ "print(f\"\\nOutput Dataframe shape: {micdf.shape}\\n\")"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 17,
+ "metadata": {
+ "execution": {
+ "iopub.execute_input": "2024-11-20T20:50:23.293240Z",
+ "iopub.status.busy": "2024-11-20T20:50:23.292861Z",
+ "iopub.status.idle": "2024-11-20T20:50:23.295566Z",
+ "shell.execute_reply": "2024-11-20T20:50:23.295072Z"
+ },
+ "jukit_cell_id": "8G7ZiPRvd8"
+ },
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Output Dataframe Columns:\n",
+ "['pearsons_correlation', 'Metadata_siRNA__posthoc_group0', 'Metadata_siRNA__posthoc_group1']\n"
+ ]
+ }
+ ],
+ "source": [
+ "print(f\"Output Dataframe Columns:\\n{micdf.columns.tolist()}\")"
+ ]
+ }
+ ],
+ "metadata": {
+ "anaconda-cloud": {},
+ "kernelspec": {
+ "display_name": "python",
+ "language": "python",
+ "name": "python3"
+ },
+ "language_info": {
+ "codemirror_mode": {
+ "name": "ipython",
+ "version": 3
+ },
+ "file_extension": ".py",
+ "mimetype": "text/x-python",
+ "name": "python",
+ "nbconvert_exporter": "python",
+ "pygments_lexer": "ipython3",
+ "version": "3.10.12"
+ }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/poetry.lock b/poetry.lock
new file mode 100644
index 0000000..67cc940
--- /dev/null
+++ b/poetry.lock
@@ -0,0 +1,3135 @@
+# This file is automatically @generated by Poetry 1.8.4 and should not be changed by hand.
+
+[[package]]
+name = "anyio"
+version = "4.6.2.post1"
+description = "High level compatibility layer for multiple asynchronous event loop implementations"
+optional = false
+python-versions = ">=3.9"
+files = [
+ {file = "anyio-4.6.2.post1-py3-none-any.whl", hash = "sha256:6d170c36fba3bdd840c73d3868c1e777e33676a69c3a72cf0a0d5d6d8009b61d"},
+ {file = "anyio-4.6.2.post1.tar.gz", hash = "sha256:4c8bc31ccdb51c7f7bd251f51c609e038d63e34219b44aa86e47576389880b4c"},
+]
+
+[package.dependencies]
+exceptiongroup = {version = ">=1.0.2", markers = "python_version < \"3.11\""}
+idna = ">=2.8"
+sniffio = ">=1.1"
+typing-extensions = {version = ">=4.1", markers = "python_version < \"3.11\""}
+
+[package.extras]
+doc = ["Sphinx (>=7.4,<8.0)", "packaging", "sphinx-autodoc-typehints (>=1.2.0)", "sphinx-rtd-theme"]
+test = ["anyio[trio]", "coverage[toml] (>=7)", "exceptiongroup (>=1.2.0)", "hypothesis (>=4.0)", "psutil (>=5.9)", "pytest (>=7.0)", "pytest-mock (>=3.6.1)", "trustme", "truststore (>=0.9.1)", "uvloop (>=0.21.0b1)"]
+trio = ["trio (>=0.26.1)"]
+
+[[package]]
+name = "appnope"
+version = "0.1.4"
+description = "Disable App Nap on macOS >= 10.9"
+optional = false
+python-versions = ">=3.6"
+files = [
+ {file = "appnope-0.1.4-py2.py3-none-any.whl", hash = "sha256:502575ee11cd7a28c0205f379b525beefebab9d161b7c964670864014ed7213c"},
+ {file = "appnope-0.1.4.tar.gz", hash = "sha256:1de3860566df9caf38f01f86f65e0e13e379af54f9e4bee1e66b48f2efffd1ee"},
+]
+
+[[package]]
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+version = "23.1.0"
+description = "Argon2 for Python"
+optional = false
+python-versions = ">=3.7"
+files = [
+ {file = "argon2_cffi-23.1.0-py3-none-any.whl", hash = "sha256:c670642b78ba29641818ab2e68bd4e6a78ba53b7eff7b4c3815ae16abf91c7ea"},
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+[package.dependencies]
+argon2-cffi-bindings = "*"
+
+[package.extras]
+dev = ["argon2-cffi[tests,typing]", "tox (>4)"]
+docs = ["furo", "myst-parser", "sphinx", "sphinx-copybutton", "sphinx-notfound-page"]
+tests = ["hypothesis", "pytest"]
+typing = ["mypy"]
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+[[package]]
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+python-versions = ">=3.6"
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+ {file = "webcolors-24.11.1.tar.gz", hash = "sha256:ecb3d768f32202af770477b8b65f318fa4f566c22948673a977b00d589dd80f6"},
+]
+
+[[package]]
+name = "webencodings"
+version = "0.5.1"
+description = "Character encoding aliases for legacy web content"
+optional = false
+python-versions = "*"
+files = [
+ {file = "webencodings-0.5.1-py2.py3-none-any.whl", hash = "sha256:a0af1213f3c2226497a97e2b3aa01a7e4bee4f403f95be16fc9acd2947514a78"},
+ {file = "webencodings-0.5.1.tar.gz", hash = "sha256:b36a1c245f2d304965eb4e0a82848379241dc04b865afcc4aab16748587e1923"},
+]
+
+[[package]]
+name = "websocket-client"
+version = "1.8.0"
+description = "WebSocket client for Python with low level API options"
+optional = false
+python-versions = ">=3.8"
+files = [
+ {file = "websocket_client-1.8.0-py3-none-any.whl", hash = "sha256:17b44cc997f5c498e809b22cdf2d9c7a9e71c02c8cc2b6c56e7c2d1239bfa526"},
+ {file = "websocket_client-1.8.0.tar.gz", hash = "sha256:3239df9f44da632f96012472805d40a23281a991027ce11d2f45a6f24ac4c3da"},
+]
+
+[package.extras]
+docs = ["Sphinx (>=6.0)", "myst-parser (>=2.0.0)", "sphinx-rtd-theme (>=1.1.0)"]
+optional = ["python-socks", "wsaccel"]
+test = ["websockets"]
+
+[metadata]
+lock-version = "2.0"
+python-versions = ">=3.10,<=3.11"
+content-hash = "76f5c92854154a1603f7ea72947f9c97f9d8a9461695c10d9a877e38f4111fa6"
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 0000000..a399796
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,33 @@
+[tool.poetry]
+name = "pairwise-compare"
+version = "0.1.0"
+description = ""
+authors = ["Your Name "]
+license = "CC0 1.0 Universal"
+readme = "README.md"
+
+packages = [
+ { include = "comparison_tools", from = "src" },
+ { include = "comparators", from = "src" },
+]
+
+[tool.poetry.dependencies]
+python = ">=3.10,<=3.11"
+pathlib2 = "^2.3.7.post1"
+pandas = "^2.2.3"
+setuptools = ">=14.0"
+numpy = "^2.1.3"
+pyarrow = "^18.0.0"
+
+
+[tool.poetry.group.dev.dependencies]
+pytest = "^8.3.3"
+pynvim = "^0.5.1"
+ipython = "^8.29.0"
+matplotlib = "^3.9.2"
+pylint = "^3.3.1"
+notebook = "^7.2.2"
+
+[build-system]
+requires = ["poetry-core"]
+build-backend = "poetry.core.masonry.api"
diff --git a/src/comparators/Comparator.py b/src/comparators/Comparator.py
new file mode 100644
index 0000000..f8ca65e
--- /dev/null
+++ b/src/comparators/Comparator.py
@@ -0,0 +1,41 @@
+from abc import ABC, abstractmethod
+from collections import defaultdict
+
+import pandas as pd
+
+
+class Comparator(ABC):
+ """
+ This is a template class for how comparator modules should be structured to make comparisons.
+ When inheriting from this template class ensure this class's constructor is called.
+ """
+
+ def __init__(self):
+ """
+ Store comparisons in self._comparisons to eventually be converted to a pandas datafram, where:
+ 1. Each key is a column name.
+ 2. The index at each position in each list corresponds to a row.
+ """
+
+ self._comparisons = defaultdict(list)
+
+ @property
+ def comparisons(self):
+ return self._comparisons
+
+ @abstractmethod
+ def save_groups(self, _group_cols: list[str], **_groups: dict[str, pd.DataFrame]):
+ """
+ Save tracked column values defining comparison groups.
+ Tracked columns include columns used to compare groups.
+ """
+ pass
+
+ @abstractmethod
+ def __call__(self, _group0: pd.DataFrame, _group1: pd.DataFrame):
+ """
+ This function is intended for:
+ 1. Comparing the two dataframes.
+ 2. Saving the result in the self._comparisons data structure, which is later converted to a pandas dataframe.
+ """
+ pass
diff --git a/src/comparators/PearsonsCorrelation.py b/src/comparators/PearsonsCorrelation.py
new file mode 100644
index 0000000..58e5a42
--- /dev/null
+++ b/src/comparators/PearsonsCorrelation.py
@@ -0,0 +1,58 @@
+from collections import defaultdict
+from typing import Optional
+
+import numpy as np
+import pandas as pd
+from comparators.Comparator import Comparator
+
+
+class PearsonsCorrelation(Comparator):
+ """Computes and stores group and Pearsons Correlation data between paired groups."""
+
+ def __init__(self, _comparison_name: str = "pearsons_correlation"):
+
+ super().__init__()
+
+ self._comparison_name = _comparison_name
+
+ def _preprocess_data(self):
+ self._group0, self._group1 = self._group0.values, self._group1.values
+
+ def save_groups(self, _group_cols: list[str], **_groups: dict[str, pd.DataFrame]):
+ """Save column values defining comparison groups"""
+
+ comparison_count = self._group0.shape[0] * self._group1.shape[0]
+
+ for idx, col in enumerate(_group_cols):
+ for group_name, group in _groups.items():
+ if len(_group_cols) > 1:
+ self._comparisons[f"{col}__{group_name}"].extend(
+ [group[idx]] * comparison_count
+ )
+ else:
+ self._comparisons[f"{col}__{group_name}"].extend(
+ [group] * comparison_count
+ )
+
+ @property
+ def comparisons(self):
+ return self._comparisons
+
+ def __call__(self, _group0: pd.DataFrame, _group1: pd.DataFrame):
+
+ self._group0, self._group1 = _group0, _group1
+ self._preprocess_data()
+
+ group0_centered = self._group0 - self._group0.mean(axis=1, keepdims=True)
+ group1_centered = self._group1 - self._group1.mean(axis=1, keepdims=True)
+
+ dot_products = np.dot(group0_centered, group1_centered.T)
+
+ group0_norms = np.linalg.norm(group0_centered, axis=1, keepdims=True)
+ group1_norms = np.linalg.norm(group1_centered, axis=1, keepdims=True)
+
+ norm_products = np.dot(group0_norms, group1_norms.T)
+
+ correlations = (dot_products / norm_products).flatten()
+
+ self._comparisons[self._comparison_name].extend(correlations.tolist())
diff --git a/src/comparators/__init__.py b/src/comparators/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/comparison_tools/PairwiseCompare.py b/src/comparison_tools/PairwiseCompare.py
new file mode 100644
index 0000000..11a9eba
--- /dev/null
+++ b/src/comparison_tools/PairwiseCompare.py
@@ -0,0 +1,273 @@
+import warnings
+from collections.abc import Iterable
+from itertools import combinations, product
+from typing import Optional
+
+import pandas as pd
+from comparators.Comparator import Comparator
+
+
+class PairwiseCompare:
+ """
+ Compute inter or intra group comparisons between objects.
+ """
+
+ def __init__(
+ self,
+ _df: pd.DataFrame,
+ _comparator: Comparator,
+ _antehoc_group_cols: list[str],
+ _posthoc_group_cols: list[str],
+ _feat_cols: list[str],
+ _one_different_comparison: bool = False,
+ _drop_cols: Optional[list[str]] = None,
+ ):
+ """
+ Perform Input validation and initializations.
+
+ Parameters
+ ----------
+ _df:
+ Contains the features and group columns to use for comparing paired data.
+
+ _comparator:
+ Defines how to perform and save comparisons.
+
+ _antehoc_group_cols:
+ Columns to groupby before organizing by _posthoc_group_cols.
+
+ _feat_cols:
+ Feature columns for creating comparisons.
+
+ _posthoc_group_cols:
+ Columns to groupby after organizing by _antehoc_group_cols.
+
+ _one_different_comparison:
+ Type of comparison. If True, only one column value needs to be different between two groups for both group to be considered different.
+ Otherwise, all column values need to be different for both groups to be considered different.
+
+ _drop_cols:
+ Columns to not save in the final output.
+ """
+
+ if not isinstance(_df, pd.DataFrame):
+ raise TypeError("Expected a Pandas DataFrame.")
+
+ if not isinstance(_comparator, Comparator):
+ raise TypeError("Expected type Comparator.")
+
+ self.__is_iterable_with_strings(_antehoc_group_cols)
+ self.__is_iterable_with_strings(_posthoc_group_cols)
+ self.__is_iterable_with_strings(_feat_cols)
+
+ if _df.empty:
+ raise ValueError("DataFrame is empty")
+
+ missing_cols = (
+ set(_antehoc_group_cols) | set(_posthoc_group_cols) | set(_feat_cols)
+ ) - set(_df.columns)
+
+ if missing_cols:
+ raise ValueError(f"Missing columns {missing_cols}")
+
+ if any(not pd.api.types.is_numeric_dtype(_df[col].dtype) for col in _feat_cols):
+ raise TypeError(
+ "At least one of the feature columns is not a numerical data type."
+ )
+
+ if _df.isna().any().any():
+ warnings.warn("DataFrame contains NaNs")
+
+ if not _drop_cols:
+ self.__drop_cols = []
+
+ else:
+ self.__is_iterable_with_strings(_drop_cols)
+ self.__drop_cols = _drop_cols
+
+ self.__df = _df
+ self.__comparator = _comparator
+ self.__feat_cols = _feat_cols
+ self.__one_different_comparison = _one_different_comparison
+
+ group_suffixes = ("_group0", "_group1")
+
+ self.__posthoc_group_names = [f"posthoc{suffix}" for suffix in group_suffixes]
+ self.__antehoc_group_names = [f"antehoc{suffix}" for suffix in group_suffixes]
+
+ self.__antehoc_group_cols = _antehoc_group_cols
+ self.__posthoc_group_cols = _posthoc_group_cols
+
+ self.__filtered_antehoc_group_cols = self.__get_group_fields(
+ _group_cols=self.__antehoc_group_cols,
+ )
+
+ self.__filtered_posthoc_group_cols = self.__get_group_fields(
+ _group_cols=self.__posthoc_group_cols,
+ )
+
+ def __warn_empty_comparisons(self, _comparison_type_name):
+
+ warnings.warn(f"{_comparison_type_name} were empty", UserWarning)
+
+ def __is_iterable_with_strings(self, _data_structure):
+
+ prefix_msg = "Expected an Iterable of Strings."
+
+ if isinstance(_data_structure, str):
+ raise TypeError(f"{prefix_msg} Data is of type String.")
+
+ elif not isinstance(_data_structure, Iterable):
+ raise TypeError(f"{prefix_msg} Data is not an Iterable.")
+
+ elif isinstance(_data_structure, Iterable):
+ if any(not isinstance(element, str) for element in _data_structure):
+ raise TypeError(f"{prefix_msg} Data in Iterable is not of type String.")
+
+ def __get_group_fields(self, _group_cols):
+ """Get group fields after removing dropped columns."""
+
+ return [
+ group_col for group_col in _group_cols if group_col not in self.__drop_cols
+ ]
+
+ def __contains_match(self, _groups):
+ """Check if the same features between both groups are the same value."""
+
+ if not self.__one_different_comparison:
+ if len(self.__posthoc_group_cols) == 1:
+ if _groups[0] == _groups[1]:
+ return True
+
+ else:
+ if any(_groups[0][i] == _groups[1][i] for i in range(len(_groups[0]))):
+ return True
+
+ return False
+
+ def inter_comparisons(self):
+ """
+ Computes comparisons between two pandas rows using both post hoc and ante groups.
+ This is accomplished by computing comparisons between these rows in different ante groups (inter comparisons) and between all possible post hoc comparisons between those groups.
+ """
+
+ groupdf = self.__df.groupby(self.__antehoc_group_cols)
+
+ # Retrieve keys for the ante group
+ gkeys = groupdf.groups.keys()
+
+ # Find all possible combinations of size 2 ante group keys
+ apairs = list(combinations(gkeys, 2))
+
+ # Iterate through each ante group combination
+ for apair in apairs:
+
+ if self.__contains_match(apair):
+ continue
+
+ apair0 = apair[0]
+ apair1 = apair[1]
+
+ # Avoids a future deprecation in the pandas get_group method
+ if not isinstance(apair0, tuple) or not isinstance(apair1, tuple):
+ apair0 = (apair0,)
+ apair1 = (apair1,)
+
+ # Extract the keys for the first post hoc group
+ group0df = groupdf.get_group(apair0).copy()
+ group0df = group0df.groupby(self.__posthoc_group_cols)[self.__feat_cols]
+ group0_keys = group0df.groups.keys()
+
+ # Extract the keys for the second post hoc group
+ group1df = groupdf.get_group(apair1).copy()
+ group1df = group1df.groupby(self.__posthoc_group_cols)[self.__feat_cols]
+ group1_keys = group1df.groups.keys()
+
+ comparison_key_product = list(product(group0_keys, group1_keys))
+
+ if not comparison_key_product:
+ self.__warn_empty_comparisons(_comparison_type_name="Inter Comparisons")
+ continue
+
+ # Iterate through each well group cartesian product and save the data
+ for ppair in comparison_key_product:
+
+ if self.__contains_match(ppair):
+ continue
+
+ ppair0 = ppair[0]
+ ppair1 = ppair[1]
+
+ # Avoids a future deprecation in the pandas get_group method
+ if not isinstance(ppair0, tuple) or not isinstance(ppair1, tuple):
+ ppair0 = (ppair0,)
+ ppair1 = (ppair1,)
+
+ self.__comparator(
+ group0df.get_group(ppair0), group1df.get_group(ppair1)
+ )
+
+ self.__comparator.save_groups(
+ self.__antehoc_group_cols,
+ **dict(zip(self.__antehoc_group_names, apair)),
+ )
+
+ self.__comparator.save_groups(
+ self.__posthoc_group_cols,
+ **dict(zip(self.__posthoc_group_names, ppair)),
+ )
+
+ def intra_comparisons(self):
+ """
+ Computes comparisons between two pandas rows using both post hoc and ante groups.
+ This is accomplished by computing comparisons between these rows only in the same ante group (intra comparisons), but between different post hoc groups.
+ """
+
+ groupdf = self.__df.groupby(self.__antehoc_group_cols)
+
+ # Retrieve keys for the ante group
+ akeys = groupdf.groups.keys()
+
+ # Iterate through each ante group combination
+ for agroup in akeys:
+
+ # Avoids a future deprecation in the pandas get_group method
+ if not isinstance(agroup, tuple):
+ agroup = (agroup,)
+
+ # Extract keys for poshoc group columns
+ group = groupdf.get_group(agroup).copy()
+ group = group.groupby(self.__posthoc_group_cols)[self.__feat_cols]
+ group_keys = group.groups.keys()
+
+ comparison_key_combinations = list(combinations(group_keys, 2))
+
+ if not comparison_key_combinations:
+ self.__warn_empty_comparisons(_comparison_type_name="Intra Comparisons")
+ continue
+
+ # Iterate through the combinations pairs of the groups
+ for ppair in comparison_key_combinations:
+
+ if self.__contains_match(ppair):
+ continue
+
+ ppair0 = ppair[0]
+ ppair1 = ppair[1]
+
+ # Avoids a future deprecation in the pandas get_group method
+ if not isinstance(ppair0, tuple) or not isinstance(ppair1, tuple):
+ ppair0 = (ppair0,)
+ ppair1 = (ppair1,)
+
+ self.__comparator(group.get_group(ppair0), group.get_group(ppair1))
+
+ self.__comparator.save_groups(
+ self.__filtered_antehoc_group_cols,
+ **dict(zip(self.__antehoc_group_names, (agroup, agroup))),
+ )
+
+ self.__comparator.save_groups(
+ self.__filtered_posthoc_group_cols,
+ **dict(zip(self.__posthoc_group_names, ppair)),
+ )
diff --git a/src/comparison_tools/PairwiseCompareManager.py b/src/comparison_tools/PairwiseCompareManager.py
new file mode 100644
index 0000000..1f595ec
--- /dev/null
+++ b/src/comparison_tools/PairwiseCompareManager.py
@@ -0,0 +1,89 @@
+from typing import Optional
+
+import pandas as pd
+from comparators.Comparator import Comparator
+
+from comparison_tools.PairwiseCompare import PairwiseCompare
+
+
+class PairwiseCompareManager:
+ """
+ Allows the user to make comparisons between groups in a pandas dataframe as specified by the columns defining the comparison groups.
+ See the function parameter descriptions of the constructor, and the README for more info.
+ """
+
+ def __init__(
+ self,
+ _df: pd.DataFrame,
+ _different_columns: list[str],
+ _feat_cols: list[str],
+ _comparator: Comparator,
+ _same_columns: Optional[list[str]] = None,
+ _drop_cols: Optional[list[str]] = None,
+ ):
+ """
+ _df: Data to compare, which must contain the specified columns passed as arguments. All rows in this dataframe will be compared at least once.
+ _different_columns: The values of these columns must all be different when comparing any two groups.
+ _feat_cols: Feature columns to be used in comparisons from _df.
+ _comparator: The module to use for comparing data.
+ _same_columns: The values of these columns will all be the same when comparing any two groups.
+ _drop_cols: Columns in the final output datarame, which are excluded.
+ """
+
+ # Ensure no duplicate columns
+ _feat_cols = list(set(_feat_cols))
+
+ if _same_columns:
+ _same_columns = list(set(_same_columns))
+
+ if _different_columns:
+ _different_columns = list(set(_different_columns))
+
+ if _drop_cols:
+ _drop_cols = list(set(_drop_cols))
+
+ if _same_columns and _different_columns:
+ if len(set(_same_columns) & set(_different_columns)) > 0:
+ raise ValueError(
+ "_same_columns and _different_columns cannot have any columns in common."
+ )
+
+ if not _same_columns and len(_different_columns) == 1:
+ raise ValueError(
+ "Must specify at least two different columns or at least one different column and at least one same column."
+ )
+
+ if len(_feat_cols) == 0:
+ raise ValueError(
+ "You must specify at least one feature to compare between samples"
+ )
+
+ self._comparator = _comparator
+
+ if len(_different_columns) >= 2 and not _same_columns:
+ pairwise_compare_obj = PairwiseCompare(
+ _df=_df,
+ _comparator=_comparator,
+ _antehoc_group_cols=_different_columns[:1],
+ _posthoc_group_cols=_different_columns[1:],
+ _feat_cols=_feat_cols,
+ _drop_cols=_drop_cols,
+ )
+
+ pairwise_compare_obj.inter_comparisons()
+
+ elif len(_different_columns) >= 1 and len(_same_columns) >= 1:
+ pairwise_compare_obj = PairwiseCompare(
+ _df=_df,
+ _comparator=_comparator,
+ _antehoc_group_cols=_same_columns,
+ _posthoc_group_cols=_different_columns,
+ _feat_cols=_feat_cols,
+ _drop_cols=_drop_cols,
+ )
+
+ pairwise_compare_obj.intra_comparisons()
+
+ def __call__(self):
+ """Final comparisons dataframe."""
+ return pd.DataFrame(self._comparator.comparisons)
diff --git a/src/comparison_tools/__init__.py b/src/comparison_tools/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/tests/test_correctness_pairwise_compare_manager.py b/tests/test_correctness_pairwise_compare_manager.py
new file mode 100644
index 0000000..04cac6d
--- /dev/null
+++ b/tests/test_correctness_pairwise_compare_manager.py
@@ -0,0 +1,149 @@
+import pathlib
+import sys
+
+import pandas as pd
+import pytest
+
+from comparators.PearsonsCorrelation import PearsonsCorrelation
+from comparison_tools.PairwiseCompareManager import PairwiseCompareManager
+
+# Paths to original nuclear speckle data
+data_dir = pathlib.Path(
+ "data"
+).resolve(strict=True)
+
+for file in data_dir.iterdir():
+ if file.is_file():
+ print(file)
+
+plate4df = pd.read_parquet(data_dir / "Plate_4_bulk_feature_selected.parquet")
+
+plate4df["Metadata_siRNA"] = plate4df["Metadata_siRNA"].fillna("No siRNA")
+
+feat_cols = plate4df.columns[~plate4df.columns.str.contains("Metadata")].tolist()
+
+
+# Compute comparison outputs with the PairwiseCompareManager
+@pytest.fixture
+def test_data(request):
+
+ case = request.param
+
+ comparer = PairwiseCompareManager(
+ _df=plate4df.copy(),
+ _comparator=case["_comparator"],
+ _same_columns=case["_same_columns"],
+ _different_columns=case["_different_columns"],
+ _feat_cols=feat_cols,
+ _drop_cols=case["_drop_cols"],
+ )
+
+ case["_comparer"] = comparer()
+
+ return case
+
+
+# Specify test cases
+@pytest.mark.parametrize(
+ "test_data",
+ [
+ (
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": ["Metadata_Concentration"],
+ "_different_columns": ["Metadata_siRNA", "Metadata_Well"],
+ "_drop_cols": ["Metadata_Concentration", "Metadata_Well"],
+ }
+ ),
+ (
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": None,
+ "_different_columns": ["Metadata_siRNA", "Metadata_Well"],
+ "_drop_cols": None,
+ }
+ ),
+ (
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": ["Metadata_Concentration"],
+ "_different_columns": ["Metadata_siRNA"],
+ "_drop_cols": ["Metadata_Concentration"],
+ }
+ ),
+ (
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": ["Metadata_Concentration"],
+ "_different_columns": ["Metadata_siRNA"],
+ "_drop_cols": None,
+ }
+ ),
+ ],
+ indirect=True,
+)
+def test_dataframe_shape_correct(test_data: dict):
+ """Tests if the output dataframe contains the correct number of rows and columns."""
+
+ total_number_of_comparisons = 0
+
+ def number_of_comparisons(_df: pd.DataFrame):
+ """Calculate the number of expected comparisons."""
+
+ number_of_comparisons = 0
+
+ numberdf_samples = _df.shape[0]
+
+ for first_row in range(numberdf_samples - 1):
+ for second_row in range(first_row + 1, numberdf_samples):
+ groupsdf = _df.iloc[[first_row, second_row]].copy()
+ if (
+ not groupsdf[test_data["_different_columns"]]
+ .apply(lambda col: col.duplicated(keep=False))
+ .any()
+ .any()
+ ):
+ number_of_comparisons += 1
+
+ return number_of_comparisons
+
+ # Calculate the expected number of comparisons if _same_columns is specified
+ if test_data["_same_columns"]:
+ for _, urow in plate4df.drop_duplicates(
+ subset=test_data["_same_columns"]
+ ).iterrows():
+ same_df = plate4df[
+ (
+ plate4df[test_data["_same_columns"]]
+ == urow[test_data["_same_columns"]]
+ ).all(axis=1)
+ ]
+ total_number_of_comparisons += number_of_comparisons(same_df)
+
+ else:
+ total_number_of_comparisons += number_of_comparisons(plate4df)
+
+ assert test_data["_comparer"].shape[0] == total_number_of_comparisons
+
+ if not test_data["_drop_cols"]:
+ number_drop_cols = 0
+
+ else:
+ number_drop_cols = len(test_data["_drop_cols"])
+
+ if not test_data["_same_columns"]:
+ number_same_columns = 0
+
+ else:
+ number_same_columns = len(test_data["_same_columns"])
+
+ # There are 2 of each column, but only one comparison column
+ assert (
+ 2
+ * (
+ number_same_columns
+ + len(test_data["_different_columns"])
+ - number_drop_cols
+ )
+ == test_data["_comparer"].shape[1] - 1
+ )
diff --git a/tests/test_fault_injections_compare_manager.py b/tests/test_fault_injections_compare_manager.py
new file mode 100644
index 0000000..2d615a9
--- /dev/null
+++ b/tests/test_fault_injections_compare_manager.py
@@ -0,0 +1,66 @@
+import pathlib
+import sys
+
+import pandas as pd
+import pytest
+
+from comparators.PearsonsCorrelation import PearsonsCorrelation
+from comparison_tools.PairwiseCompareManager import PairwiseCompareManager
+
+# Paths to original nuclear speckle data
+data_dir = pathlib.Path(
+ "data"
+).resolve(strict=True)
+
+plate4df = pd.read_parquet(data_dir / "Plate_4_bulk_feature_selected.parquet")
+
+plate4df["Metadata_siRNA"] = plate4df["Metadata_siRNA"].fillna("No siRNA")
+
+feat_cols = plate4df.columns[~plate4df.columns.str.contains("Metadata")].tolist()
+
+
+# Specify tests cases
+@pytest.mark.parametrize(
+ "case",
+ [
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": ["Metadata_Concentration"],
+ "_different_columns": None,
+ "_feat_cols": feat_cols,
+ "_drop_cols": ["Metadata_Concentration", "Metadata_Well"],
+ },
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": None,
+ "_different_columns": ["Metadata_siRNA"],
+ "_feat_cols": feat_cols,
+ "_drop_cols": None,
+ },
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": ["Metadata_Concentration"],
+ "_different_columns": ["Metadata_siRNA"],
+ "_feat_cols": None,
+ "_drop_cols": None,
+ },
+ {
+ "_comparator": PearsonsCorrelation(),
+ "_same_columns": ["Metadata_Concentration"],
+ "_different_columns": ["Metadata_siRNA", "Metadata_Concentration"],
+ "_feat_cols": feat_cols,
+ "_drop_cols": None,
+ },
+ ],
+)
+def test_dataframe_shape_correct(case):
+ # Pass the test if an exception is raised
+ with pytest.raises(Exception):
+ comparer = PairwiseCompareManager(
+ _df=plate4df.copy(),
+ _comparator=case["_comparator"],
+ _same_columns=case["_same_columns"],
+ _different_columns=case["_different_columns"],
+ _feat_cols=case["_feat_cols"],
+ _drop_cols=case["_drop_cols"],
+ )