From 2178c99520471b72a3cbc70758eb7cf2caca11b5 Mon Sep 17 00:00:00 2001 From: pavlovicmilena Date: Mon, 14 Oct 2024 21:23:38 +0000 Subject: [PATCH] update docs --- docs/.buildinfo | 4 + docs/.doctrees/environment.pickle | Bin 0 -> 94797 bytes docs/.doctrees/index.doctree | Bin 0 -> 9303 bytes docs/.doctrees/installation.doctree | Bin 0 -> 23013 bytes docs/.doctrees/quickstart.doctree | Bin 0 -> 8711 bytes .../receptor_level_simulation.doctree | Bin 0 -> 38041 bytes .../repertoire_level_simulation.doctree | Bin 0 -> 49304 bytes docs/.doctrees/specification.doctree | Bin 0 -> 343461 bytes .../specs/definitions/datasets.doctree | Bin 0 -> 269824 bytes .../specs/definitions/gen_models.doctree | Bin 0 -> 11909 bytes .../specs/definitions/simulation.doctree | Bin 0 -> 49717 bytes .../instructions/FeasibilitySummary.doctree | Bin 0 -> 6245 bytes .../specs/instructions/LigoSim.doctree | Bin 0 -> 6506 bytes .../specs/instructions/instructions.doctree | Bin 0 -> 4179 bytes 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zJ+&I;w8$svB^T7Hv<8{($}8HY@~BE|;O_@h)+7xePG^&L3svqf@Qt4^yH5g8iy&8v`kx6YQS<~=D0&%x*thLAsejb5{vhya)eG6HNlmbNerB`_ for more information! + +Contents +--------------------------------- + +.. toctree:: + :maxdepth: 1 + + quickstart + installation + tutorials + usecases + specification + + diff --git a/docs/_sources/installation.rst.txt b/docs/_sources/installation.rst.txt new file mode 100644 index 00000000..bfe49566 --- /dev/null +++ b/docs/_sources/installation.rst.txt @@ -0,0 +1,185 @@ +Installing LIgO +=================== + +.. toctree:: + :maxdepth: 2 + +There are two options for installing LIgO: + +#. Install on the local machine either from PyPI or from GitHub +#. Use Docker image + +Installing LIgO on the local machine +--------------------------------- + +.. note:: + + Requirements: Python 3.11 or later + +To install LIgO on the local machine with pip: + +1. Make a virtual environment where LIgO will be installed to avoid package versioning issues or collisions with the packages installed for other projects: + +.. code-block:: console + + python -m venv ligo_env + +2. Activate virtual environment: + +.. code-block:: console + + source ligo_env/bin/activate + +3. Install LIgO from PyPI (recommended): + +.. code-block:: console + + pip install ligo + +Alternatively, to install LIgO from GitHub run the following: + +.. code-block:: console + + pip install git+https://github.com/uio-bmi/ligo.git + +4. To be able to export full-length TCR sequences, it is necessary to also download the reference data using Stitchr: + +.. code-block:: console + + stitchrdl -s human + +For more information on downloading data using Stitchr, see `Stitcher documentation `_. Once the Stitchr reference data has been downloaded, LigO will automatically include full-length TCR sequences in the output. + + +Use LIgO with Docker +---------------------- + +.. note:: + + This tutorial assumes you have Docker installed on your machine. To install it, see `the official Docker documentation `_. + +Getting started with LIgO and Docker +******************************************** + +Once you have Docker working on your machine, put the following content in the specs.yaml in the current working directory: + +.. indent with spaces +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AS + motif2: + seed: G/G + max_gap: 2 + min_gap: 1 + signals: + signal1: + v_call: TRBV7 + motifs: [motif1] + signal2: + motifs: [motif2] + simulations: + sim1: + is_repertoire: false + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + remove_seqs_with_signals: true # remove signal-specific AIRs from the background + sim_items: + sim_item1: # group of AIRs with the same parameters + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: + signal1: 1 + sim_item2: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: + signal2: 1 + sim_item3: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: {} # no signal + instructions: + my_sim_inst: + export_p_gens: false + max_iterations: 100 + number_of_processes: 4 + sequence_batch_size: 1000 + simulation: sim1 + type: LigoSim + + +Then, use the following command to download and run the Docker image with LIgO analysis. This will do the following: + +1. create the Docker container with the given name (here: :code:`my_container`), + +2. bind the current working directory to the path /data inside the container which will make the data from the working directory visible inside the container and which will keep the data placed there visible after the container is stopped, + +3. run an LIgO analysis using specs.yaml from the current folder and store the output in the new 'output' directory in the current working directory: + +.. code-block:: console + + docker run -it -v $(pwd):/data --name my_container milenapavlovic/ligo ligo /data/specs.yaml /data/output/ + +This analysis will simulate 300 TCR beta receptors and store the results in the `/data/output` folder. + +To exit the Docker container, use the following command: + +.. code-block:: console + + exit + +Using the Docker container for longer LIgO runs +*************************************************** + +If you expect the analysis to take more time, you can start the container as a background process. The command to run in that case would be the following: + +.. code-block:: console + + docker run -itd -v $(pwd):/data --name my_container milenapavlovic/ligo ligo /data/specs.yaml /data/output/ + +To see the logs, run the following command with the container name (here: :code:`my_container`): + +.. code-block:: console + + docker logs my_container + +To see the list of available containers, you can use the following command: + +.. code-block:: console + + docker ps -a + +If you just started the container with the previous command, the output showing the list of available containers should look similar to this: + +.. code-block:: console + + CONTAINER ID IMAGE COMMAND CREATED STATUS PORTS NAMES + e799e644e479 milenapavlovic/ligo "/bin/bash" 34 seconds ago Up 33 seconds my_container + +To stop the container, run the following command where the argument is the name of your container: + +.. code-block:: console + + docker stop my_container + +To delete the container, run the following command where the argument is the name of your container: + +.. code-block:: console + + docker rm my_container diff --git a/docs/_sources/quickstart.rst.txt b/docs/_sources/quickstart.rst.txt new file mode 100644 index 00000000..e8daf8b0 --- /dev/null +++ b/docs/_sources/quickstart.rst.txt @@ -0,0 +1,37 @@ +Quickstart +========== + +How to run LIgO +--------------------------------- + +You can run LIgO in the command line using the following command: + +.. code-block:: console + + ligo specs.yaml output_folder + +Where + +* **specs.yaml** — simulation parameters described by the user in a yaml file. Please see :doc:`specification` for more information about LIgO parameters. +* **output_folder** — output folder name defined by the user (should not exist before the run). + +How to explore LIgO results +--------------------------------- + +The output folder structure is the same for all LIgO runs. The output folder should include: + +- **index.html**: main output file which gives an overview of the simulation: link to the full specification, the used LIgO version, some general information on the dataset and the link to the dataset exported in the standard AIRR format +- **full_specs.yaml** file: includes the specification and default parameters if any of the parameters were left unfilled +- **inst1** folder: this folder name is the same as the name given to the instruction by the user; all results are located here; the simulated dataset is located under `inst1/exported_dataset/airr/` +- **HTML_output** folder: presentation of figures and reports if specified + + +Quickstart tutorials +--------------------------------- + + +.. toctree:: + :maxdepth: 1 + + quickstart/receptor_level_simulation + quickstart/repertoire_level_simulation diff --git a/docs/_sources/quickstart/receptor_level_simulation.rst.txt b/docs/_sources/quickstart/receptor_level_simulation.rst.txt new file mode 100644 index 00000000..71a684a5 --- /dev/null +++ b/docs/_sources/quickstart/receptor_level_simulation.rst.txt @@ -0,0 +1,259 @@ +How to use LIgO for receptor-level simulation +------------------------------------------------- + +Simulation of a TCR dataset containing two immune signals +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +In this quickstart tutorial, we will simulate a dataset of 300 productive TRB receptors such that (see the illustration below): + +- 100 TRBs containing signal 1; + +- 100 TRBs containing signal 2; + +- 100 TRBs containing no immune signal (background receptors). + +We define signal 1 and signal 2 as the following (see the illustration below): + +- Signal 1 consists of a 2-mer {AS} and TRBV7, i.e., only TRBs containing both TRBV7 and 2-mer {AS} contain Signal 1; + +- Signal 2 consists of two gapped k-mers {G.G} and {G..G}, i.e., only TRBs containing {G.G} or {G..G} contain Signal 2. + +Signal-specific TRBs will be generated using the rejection sampling strategy and the default OLGA model (humanTRB). + +.. image:: ../_static/figures/quickstart_receptor-level.png + +By default, LIgO reports the simulated TRBs as a triple of the TRBV gene name, CDR3 AA sequence, and TRBJ gene name. To add full-length TCRs to the output, it is necessary to download the Stitchr reference data using :code:`stitchrdl -s human`, see `Stitcher documentation `_ for more information. Once the Stitchr reference data is downloaded, LigO will automatically add full-length TCR sequences to the output. + +If you also want to report the generation probabilities (pgen) of the simulated receptors according to the default OLGA humanTRB model, set the :code:`export_p_gens` parameter to true. Please keep in mind that pgen evaluation may take time. + +Step 1: YAML specification +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +We need to define the YAML file describing the simulation parameters. First, we define the immune signals 1 and 2 in the **definitions** section. You can read more about the yaml file parameters in :ref:`YAML specification`. + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AS + motif2: + seed: G/G + max_gap: 2 + min_gap: 1 + signals: + signal1: + v_call: TRBV7 + motifs: [motif1] + signal2: + motifs: [motif2] + +Second, we define the number of TRBs per signal in the **simulations** section. You can read more about the yaml file parameters in :ref:`YAML specification`. + +.. code-block:: yaml + + simulations: + sim1: + is_repertoire: false + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + remove_seqs_with_signals: true # remove signal-specific AIRs from the background + sim_items: + sim_item1: # group of AIRs with the same parameters + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: + signal1: 1 + sim_item2: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: + signal2: 1 + sim_item3: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: {} # no signal + +Finally, we define the technical parameters of the simulation in the **instructions** section. You can read more about the yaml file parameters in :doc:`specification`. + +.. code-block:: yaml + + instructions: + my_sim_inst: + export_p_gens: false + max_iterations: 100 + number_of_processes: 4 + sequence_batch_size: 1000 + simulation: sim1 + type: LigoSim + +Here is the complete YAML specification for the simulation: + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AS + motif2: + seed: G/G + max_gap: 2 + min_gap: 1 + signals: + signal1: + v_call: TRBV7 + motifs: [motif1] + signal2: + motifs: [motif2] + simulations: + sim1: + is_repertoire: false + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + remove_seqs_with_signals: true # remove signal-specific AIRs from the background + sim_items: + sim_item1: # group of AIRs with the same parameters + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: + signal1: 1 + sim_item2: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: + signal2: 1 + sim_item3: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + signals: {} # no signal + instructions: + my_sim_inst: + export_p_gens: false + max_iterations: 100 + number_of_processes: 4 + sequence_batch_size: 1000 + simulation: sim1 + type: LigoSim + +Step 2: Running LIgO +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +After saving the yaml specification to a file (e.g., quickstart_receptor.yaml), you can proceed with the analysis by following these steps: + +#. Activate the virtual environment where you have installed LIgO, for example + +.. code-block:: console + + source ligo_env/bin/activate + +#. Navigate to the directory where the yaml specification (quickstart_receptor.yaml) was saved. + +#. Execute the following command: + +.. code-block:: console + + ligo quickstart_receptor.yaml quickstart_output_receptor + +All results will be located in quickstart_output_receptor. Note that the output folder (quickstart_output_receptor) should not exist prior to the run. + + +Step 3: Understanding the output +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +The simulated dataset is located under + +.. code-block:: console + + quickstart_output_receptor/my_sim_inst/exported_dataset/airr/batch1.tsv. + +In the output, each row represents one AIR. Some of the output columns are shown in the table below. + +- v_call: V gene of a simulated AIR + +- j_call: J gene of a simulated AIR + +- junction_aa: junction of a simulated AIR + +- signal1: 1 if a simulated AIR contains :code:`signal1`; 0 otherwise + +- signal2: 1 if a simulated AIR contains :code:`signal2`; 0 otherwise + +- signal1_position: binary mask representing position of :code:`signal1` in a simulated AIR + +- signal2_position: binary mask representing position of :code:`signal2` in a simulated AIR + +.. list-table:: Simulated receptors in AIRR format + :header-rows: 1 + + * - v_call + - j_call + - junction_aa + - signal1 + - signal2 + - signal1_position + - signal2_position + + * - TRBV10-1*01 + - TRBJ2-5*01 + - CARPDRGGGYTF + - 0 + - 1 + - m000000000000 + - m000000100000 + * - TRBV7-2*02 + - TRBJ2-5*01 + - CASSRGHFQETQYF + - 1 + - 0 + - m01000000000000 + - m00000000000000 + * - TRBV7-8*01 + - TRBJ2-3*01 + - CASSSPGGVRIYSTDTQYF + - 1 + - 0 + - m0100000000000000000 + - m0000000000000000000 + * - ... + - ... + - ... + - ... + - ... + - ... + - ... + + +Next steps +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +- For a quickstart guide on repertoire-level simulation see :ref:`How to use LIgO for repertoire-level simulation`. + +- Other tutorials for how to use LIgO can be found under :ref:`Tutorials`. + +- You can find more information about yaml parameters in :ref:`YAML specification`. + diff --git a/docs/_sources/quickstart/repertoire_level_simulation.rst.txt b/docs/_sources/quickstart/repertoire_level_simulation.rst.txt new file mode 100644 index 00000000..95b0c92b --- /dev/null +++ b/docs/_sources/quickstart/repertoire_level_simulation.rst.txt @@ -0,0 +1,294 @@ +How to use LIgO for repertoire-level simulation +------------------------------------------------- + +Simulation of BCR repertoires labeled with two immune events +============================================================== + +In this quickstart tutorial, we will generate a dataset of 20 BCR repertoires, with each repertoire containing 6 BCRs, as follows (see the illustration below): + +- 10 repertoires labeled as immune event 1 and consist of 30% BCRs with signal 1 and 30% BCRs with signal 2; + +- 10 repertoires labeled as immune event 2 and consist of 50% BCRs with signal 1 and 50% BCRs with signal 2. + +We define signal 1 and signal 2 as follows (see the illustration below): + +- Signal 1 is composed of a 2-mer {AA}; + +- Signal 2 is composed of a 2-mer {GG}. + +Signal-specific BCRs will be generated using the signal implantation strategy, where any implanting position is allowed, and the default OLGA model (humanIGH). If you also want to report the generation probabilities (pgen) of the simulated receptors according to the default OLGA humanTRB model, set the :code:`export_p_gens` parameter to true. Please keep in mind that pgen evaluation may take time. + +.. image:: ../_static/figures/quickstart_repertoire-level.png + + + +Step 1: YAML specification +============================================================== + +LIgO simulation starts with defining the YAML file with the simulation parameters. First, we define the immune signals 1 and 2 in the **definitions** section. You can read more about the yaml file parameters in :ref:`YAML specification`. + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AA + motif2: + seed: GG + signals: + signal1: + motifs: [motif1] + signal2: + motifs: [motif2] + +Second, we define the immune events and the repertoire parameters, such as the number of repertoires and the number of BCRs in the repertoire, in the **simulations** section. You can read more about the yaml file parameters in :ref:`YAML specification`. + +.. code-block:: yaml + + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + simulation_strategy: Implanting + remove_seqs_with_signals: true # remove signal-specific AIRs from the background + sim_items: # group of AIRs with the same parameters + AIRR1: + immune_events: + ievent1: True + ievent2: False + signals: {signal1: 0.3, signal2: 0.3} + number_of_examples: 10 + is_noise: False + receptors_in_repertoire_count: 6 + generative_model: + chain: heavy + default_model_name: humanIGH + model_path: null + type: OLGA + AIRR2: + immune_events: + ievent1: False + ievent2: True + signals: {signal1: 0.5, signal2: 0.5} + number_of_examples: 10 + is_noise: False + receptors_in_repertoire_count: 6 + generative_model: + chain: heavy + default_model_name: humanIGH + model_path: null + type: OLGA + +Finally, we define the technical parameters of the simulation in the **instructions** section. You can read more about the yaml file parameters in :ref:`YAML specification`. + +.. code-block:: yaml + + instructions: + my_sim_inst: + export_p_gens: false + max_iterations: 100 + number_of_processes: 4 + sequence_batch_size: 1000 + simulation: sim1 + type: LigoSim + +Here is the complete YAML specification for the simulation: + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AA + motif2: + seed: GG + signals: + signal1: + motifs: [motif1] + signal2: + motifs: [motif2] + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + simulation_strategy: Implanting + remove_seqs_with_signals: true # remove signal-specific AIRs from the background + sim_items: # groups of AIRs with the same parameters + AIRR1: + immune_events: + ievent1: True + ievent2: False + signals: {signal1: 0.3, signal2: 0.3} + number_of_examples: 10 + is_noise: False + receptors_in_repertoire_count: 6 + generative_model: + chain: heavy + default_model_name: humanIGH + model_path: null + type: OLGA + AIRR2: + immune_events: + ievent1: False + ievent2: True + signals: {signal1: 0.5, signal2: 0.5} + number_of_examples: 10 + is_noise: False + receptors_in_repertoire_count: 6 + generative_model: + chain: heavy + default_model_name: humanIGH + model_path: null + type: OLGA + instructions: + my_sim_inst: + export_p_gens: false + max_iterations: 100 + number_of_processes: 4 + sequence_batch_size: 1000 + simulation: sim1 + type: LigoSim + +Step 2: Running LIgO +============================================================== +After saving the yaml specification to a file (e.g., `quickstart_repertoire.yaml`), you can proceed with the analysis by following these steps: + +#. Activate the virtual environment where you have installed LIgO, for example + +.. code-block:: console + + source ligo_env/bin/activate + +#. Navigate to the directory where the yaml specification (`quickstart_repertoire.yaml`) was saved. + +#. Execute the following command: + +.. code-block:: console + + ligo quickstart_repertoire.yaml quickstart_output_repertoire + +All results will be located in quickstart_output_repertoire. Note that the output folder (quickstart_output_repertoire) should not exist prior to the run. + +Step 3: Understanding the output +============================================================== + +The folder :code:`quickstart_output_repertoire/my_sim_inst/exported_dataset/airr/` contains the simulation output as the :code:`metadata.csv` file and the :code:`repertoires` folder. + +Metadata file +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +:code:`metadata.csv` is a table where each row describes one repertore, see below a metadata file example for the quickstart repertoire-level simulation + +.. list-table:: metadata.csv + :header-rows: 1 + + * - subject_id + - filename + - repertoire_id + - ievent1 + - ievent2 + - signal1 + - signal2 + - sim_item + - identifier + + * - subject_0 + - e5af5d574fc84140bb54bf0fa81245ea.tsv + - e5af5d574fc84140bb54bf0fa81245ea + - TRUE + - FALSE + - TRUE + - TRUE + - AIRR1 + - e5af5d574fc84140bb54bf0fa81245ea + + * - subject_1 + - 47799dfcb42d4c1ba3e01d3ff2943cdb.tsv + - 47799dfcb42d4c1ba3e01d3ff2943cdb + - FALSE + - TRUE + - TRUE + - TRUE + - AIRR2 + - 47799dfcb42d4c1ba3e01d3ff2943cdb + + * - ... + - ... + - ... + - ... + - ... + - ... + - ... + - ... + - ... + +Repertoires folder +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +:code:`repertoires` folder contains tsv files, where one file corresponds to one repertoire. The repertoire filenames are listed in the :code:`metadata.csv` file. In the repertoire tsv file, each row represents one AIR. Some of the output columns are shown in the table below. + +Since the AIRRs were simulated using signal implantation, the output repertoire file contains several additional columns: + +- original_sequence: AIR before signal implantation + +- original_p_gen: p_gen of an AIR before signal implantation + +.. list-table:: Simulated receptors in AIRR format + :header-rows: 1 + + * - productive + - v_call + - j_call + - junction_aa + - signal1 + - signal2 + - signal1_position + - signal2_position + + * - F + - IGHV1-2*02 + - IGHJ4*01 + - CARGWQHSSGWTPPGSDAA + - 1 + - 0 + - m00000000000000000100 + - m00000000000000000000 + + * - F + - IGHV3-23*01 + - IGHJ4*01 + - CAAAANVDYW + - 1 + - 0 + - m00100000000 + - m00000000000 + + * - F + - IGHV1-18*01 + - IGHJ6*01 + - CAKGTHGGFTIFGVVIFPEVINVSGTYYYYMDVW + - 0 + - 1 + - m00000000000000000000000000000000000 + - m00000010000000000000000000000000000 + + * - ... + - ... + - ... + - ... + - ... + - ... + - ... + - ... + + + +Next steps +============================================================== + +- For a quickstart guide on receptor-level simulation see :ref:`How to use LIgO for receptor-level simulation`. + +- Other tutorials for how to use LIgO can be found under :ref:`Tutorials`. + +- You can find more information about yaml parameters in :ref:`YAML specification`. diff --git a/docs/_sources/specification.rst.txt b/docs/_sources/specification.rst.txt new file mode 100644 index 00000000..7920a2cb --- /dev/null +++ b/docs/_sources/specification.rst.txt @@ -0,0 +1,57 @@ +YAML specification +################### + +.. toctree:: + :maxdepth: 2 + +The YAML specification defines the simulation or analysis to be executed. The YAML contains the following sections: + +- definitions: includes motifs, signals, and simulation details - these define conceptually what the user would like to simulate, +- instructions: cover the specific simulation or analysis to be run - usually including only technical information on how to perform the task and reference the components defined under definitions for the conceptual information; +- output: only HTML format is supported, and doesn't include any parameters. + +The purpose of this page is to list all the YAML specification options. + +The overall structure of the YAML specification is the following: + +.. indent with spaces +.. code-block:: yaml + + definitions: # mandatory keyword + motifs: + my_motif_1: ... + signals: + my_sig_1: ... + simulations: + my_first_simulation: ... + instructions: # mandatory keyword - at least one instruction has to be specified + my_instruction_1: # user-defined name of the instruction + ... # see below for the specification of different instructions + output: # how to present the result after running (the only valid option now is HTML) + format: HTML + +Definitions +=========== + +Simulation +---------- + +.. include:: ./specs/definitions/simulation.rst + +Generative models +----------------- + +.. include:: ./specs/definitions/gen_models.rst + +Supported dataset formats +-------------------------- + +These dataset formats can be used in combination with :ref:`ExperimentalImport` generative model. + +.. include:: ./specs/definitions/datasets.rst + +Instructions +============ + +.. include:: ./specs/instructions/instructions.rst + diff --git a/docs/_sources/specs/definitions/datasets.rst.txt b/docs/_sources/specs/definitions/datasets.rst.txt new file mode 100644 index 00000000..9364009f --- /dev/null +++ b/docs/_sources/specs/definitions/datasets.rst.txt @@ -0,0 +1,1013 @@ + +AIRR +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data in AIRR format into a Repertoire-, Sequence- or ReceptorDataset. +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets or ReceptorDatasets should be used when predicting values for unpaired (single-chain) and paired +immune receptors respectively, like antigen specificity. + +The AIRR .tsv format is explained here: https://docs.airr-community.org/en/stable/datarep/format.html +And the AIRR rearrangement schema can be found here: https://docs.airr-community.org/en/stable/datarep/rearrangements.html + +When importing a ReceptorDataset, the AIRR field cell_id is used to determine the chain pairs. + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with AIRR files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset or ReceptorDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. Only the AIRR files included under the column 'filename' are imported into the RepertoireDataset. For setting SequenceDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- paired (str): Required for Sequence- or ReceptorDatasets. This parameter determines whether to import a SequenceDataset (paired = False) or a ReceptorDataset (paired = True). In a ReceptorDataset, two sequences with chain types specified by receptor_chains are paired together based on the identifier given in the AIRR column named 'cell_id'. + +- receptor_chains (str): Required for ReceptorDatasets. Determines which pair of chains to import for each Receptor. Valid values are `TRA_TRB`, `TRG_TRD`, `IGH_IGL`, `IGH_IGK`. If receptor_chains is not provided, the chain pair is automatically detected (only one chain pair type allowed per repertoire). + +- import_productive (bool): Whether productive sequences (with value 'T' in column productive) should be included in the imported sequences. By default, import_productive is True. + +- import_with_stop_codon (bool): Whether sequences with stop codons (with value 'T' in column stop_codon) should be included in the imported sequences. This only applies if column stop_codon is present. By default, import_with_stop_codon is False. + +- import_out_of_frame (bool): Whether out of frame sequences (with value 'F' in column vj_in_frame) should be included in the imported sequences. This only applies if column vj_in_frame is present. By default, import_out_of_frame is False. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as AIRR uses the IMGT junction. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping from AIRR column names to immuneML's internal data representation. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the AIRR file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. For AIRR, this is by default set to: + + .. indent with spaces + .. code-block:: yaml + + junction: sequence + junction_aa: sequence_aa + locus: chain + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For AIRR format, there is no default column_mapping_synonyms. + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are AIRR column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. For AIRR format, there is no default metadata_column_mapping. + +- separator (str): Column separator, for AIRR this is by default "\t". + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_airr_dataset: + format: AIRR + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + metadata_column_mapping: # metadata column mapping AIRR: immuneML for Sequence- or ReceptorDatasetDataset + airr_column_name1: metadata_label1 + airr_column_name2: metadata_label2 + import_productive: True # whether to include productive sequences in the dataset + import_with_stop_codon: False # whether to include sequences with stop codon in the dataset + import_out_of_frame: False # whether to include out of frame sequences in the dataset + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even if the `sequences` column is empty (provided that other fields are as specified here) + import_empty_aa_sequences: False # remove all sequences with empty `sequence_aa` column + # Optional fields with AIRR-specific defaults, only change when different behavior is required: + separator: "\t" # column separator + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping AIRR: immuneML + junction: sequence + junction_aa: sequence_aa + locus: chain + + +Generic +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data from any tabular file into a Repertoire-, Sequence- or ReceptorDataset. RepertoireDatasets should be +used when making predictions per repertoire, such as predicting a disease state. SequenceDatasets or ReceptorDatasets +should be used when predicting values for unpaired (single-chain) and paired immune receptors respectively, +like antigen specificity. + +This importer works similarly to other importers, but has no predefined default values for which fields are imported, +and can therefore be tailored to import data from various different tabular files with headers. + +For ReceptorDatasets: this importer assumes the two receptor sequences appear on different lines in the file, and can +be paired together by a common sequence identifier. If you instead want to import a ReceptorDataset from a tabular +file that contains both receptor chains on one line, see :ref:`SingleLineReceptor` import + + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset or ReceptorDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. For setting Sequence- or ReceptorDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- paired (str): Required for Sequence- or ReceptorDatasets. This parameter determines whether to import a SequenceDataset (paired = False) or a ReceptorDataset (paired = True). In a ReceptorDataset, two sequences with chain types specified by receptor_chains are paired together based on a common identifier. This identifier should be mapped to the immuneML field 'sequence_identifiers' using the column_mapping. + +- receptor_chains (str): Required for ReceptorDatasets. Determines which pair of chains to import for each Receptor. Valid values are `TRA_TRB`, `TRG_TRD`, `IGH_IGL`, `IGH_IGK`. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means immuneML assumes the IMGT junction (including leading C and trailing Y/F amino acids) is used in the input file, and the first and last amino acids will be removed from the sequences to retrieve the IMGT CDR3 sequence. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): Required for all datasets. A mapping where the keys are the column names in the input file, and the values correspond to the names used in immuneML's internal data representation. Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. At least sequences (nucleotide) or sequence_aas (amino acids) must be specified, but all other fields are optional. A column mapping can look for example like this: + + .. indent with spaces + .. code-block:: yaml + + file_column_amino_acids: sequence_aa + file_column_v_genes: v_call + file_column_j_genes: j_call + file_column_frequencies: duplicate_count + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For Generic import, there is no default column_mapping_synonyms. + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are file column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. There is no default metadata_column_mapping. + + .. indent with spaces + .. code-block:: yaml + + file_column_antigen_specificity: antigen_specificity + +- columns_to_load (list): Optional; specifies which columns to load from the input file. This may be useful if the input files contain many unused columns. If no value is specified, all columns are loaded. + +- separator (str): Required parameter. Column separator, for example "\t" or ",". The default value is "\t" + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_generic_dataset: + format: Generic + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + paired: False # whether to import SequenceDataset (False) or ReceptorDataset (True) when is_repertoire = False + receptor_chains: TRA_TRB # what chain pair to import for a ReceptorDataset + separator: "\t" # column separator + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping file: immuneML + file_column_amino_acids: sequence_aas + file_column_v_genes: v_call + file_column_j_genes: j_call + file_column_frequencies: duplicate_count + metadata_column_mapping: # metadata column mapping file: immuneML + file_column_antigen_specificity: antigen_specificity + columns_to_load: # which subset of columns to load from the file + - file_column_amino_acids + - file_column_v_genes + - file_column_j_genes + - file_column_frequencies + - file_column_antigen_specificity + + +IGoR +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data generated by `IGoR `_ simulations into a Repertoire-, or SequenceDataset. +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets should be used when predicting values for unpaired (single-chain) immune receptors, like +antigen specificity. + +Note that you should run IGoR with the --CDR3 option specified, this tool imports the generated CDR3 files. +Sequences with missing anchors are not imported, meaning only sequences with value '1' in the anchors_found column are imported. +Nucleotide sequences are automatically translated to amino acid sequences. + +Reference: Quentin Marcou, Thierry Mora, Aleksandra M. Walczak +‘High-throughput immune repertoire analysis with IGoR’. Nature Communications, (2018) +`doi.org/10.1038/s41467-018-02832-w `_. + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with IGoR files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. Only the IGoR files included under the column 'filename' are imported into the RepertoireDataset. For setting SequenceDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- import_with_stop_codon (bool): Whether sequences with stop codons should be included in the imported sequences. By default, import_with_stop_codon is False. + +- import_out_of_frame (bool): Whether out of frame sequences (with value '0' in column is_inframe) should be included in the imported sequences. By default, import_out_of_frame is False. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as IGoR uses the IMGT junction. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping from IGoR column names to immuneML's internal data representation. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the IGoR file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. For IGoR, this is by default set to: + + .. indent with spaces + .. code-block:: yaml + + nt_CDR3: sequences + seq_index: sequence_identifiers + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For IGoR format, there is no default column_mapping_synonyms. + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are IGoR column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. For IGoR format, there is no default metadata_column_mapping. + +- separator (str): Column separator, for IGoR this is by default ",". + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_igor_dataset: + format: IGoR + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset (True) or a SequenceDataset (False) + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + metadata_column_mapping: # metadata column mapping IGoR: immuneML for SequenceDataset + igor_column_name1: metadata_label1 + igor_column_name2: metadata_label2 + import_with_stop_codon: False # whether to include sequences with stop codon in the dataset + import_out_of_frame: False # whether to include out of frame sequences in the dataset + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + # Optional fields with IGoR-specific defaults, only change when different behavior is required: + separator: "," # column separator + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping IGoR: immuneML + nt_CDR3: sequences + seq_index: sequence_identifiers + + +IReceptor +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports AIRR datasets retrieved through the `iReceptor Gateway `_ into a Repertoire-, Sequence- or ReceptorDataset. +The differences between this importer and the :ref:`AIRR` importer are: + +* This importer takes in a list of .zip files, which must contain one or more AIRR tsv files, and for each AIRR file, a corresponding metadata json file must be present. +* This importer does not require a metadata csv file for RepertoireDataset import, it is generated automatically from the metadata json files. + +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets or ReceptorDatasets should be used when predicting values for unpaired (single-chain) and paired +immune receptors respectively, like antigen specificity. + +AIRR rearrangement schema can be found here: https://docs.airr-community.org/en/stable/datarep/rearrangements.html + +When importing a ReceptorDataset, the AIRR field cell_id is used to determine the chain pairs. + + +Arguments: + +- path (str): This is the path to a directory **with .zip files** retrieved from the iReceptor Gateway. These .zip files should include AIRR files (with .tsv extension) and corresponding metadata.json files with matching names (e.g., for my_dataset.tsv the corresponding metadata file is called my_dataset-metadata.json). The zip files must use the .zip extension. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset or ReceptorDataset. By default, is_repertoire is set to True. + +- paired (str): Required for Sequence- or ReceptorDatasets. This parameter determines whether to import a SequenceDataset (paired = False) or a ReceptorDataset (paired = True). In a ReceptorDataset, two sequences with chain types specified by receptor_chains are paired together based on the identifier given in the AIRR column named 'cell_id'. + +- receptor_chains (str): Required for ReceptorDatasets. Determines which pair of chains to import for each Receptor. Valid values are `TRA_TRB`, `TRG_TRD`, `IGH_IGL`, `IGH_IGK`. If receptor_chains is not provided, the chain pair is automatically detected (only one chain pair type allowed per repertoire). + +- import_productive (bool): Whether productive sequences (with value 'T' in column productive) should be included in the imported sequences. By default, import_productive is True. + +- import_with_stop_codon (bool): Whether sequences with stop codons (with value 'T' in column stop_codon) should be included in the imported sequences. This only applies if column stop_codon is present. By default, import_with_stop_codon is False. + +- import_out_of_frame (bool): Whether out of frame sequences (with value 'F' in column vj_in_frame) should be included in the imported sequences. This only applies if column vj_in_frame is present. By default, import_out_of_frame is False. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as AIRR uses the IMGT junction. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping from AIRR column names to immuneML's internal data representation. For AIRR, this is by default set to the values shown in YAML below. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the AIRR file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id']. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the AIRR file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. + + .. indent with spaces + .. code-block:: yaml + + junction: sequences + junction_aa: sequence_aas + v_call: v_alleles + j_call: j_alleles + locus: chains + duplicate_count: counts + sequence_id: sequence_identifiers + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For AIRR format, there is no default column_mapping_synonyms. + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are AIRR column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. For AIRR format, there is no default metadata_column_mapping. When importing a RepertoireDataset, the metadata is automatically extracted from the metadata json files. + +- separator (str): Column separator, for AIRR this is by default "\t". + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_airr_dataset: + format: IReceptor + params: + path: path/to/zipfiles/ + is_repertoire: True # whether to import a RepertoireDataset + metadata_column_mapping: # metadata column mapping AIRR: immuneML for Sequence- or ReceptorDatasetDataset + airr_column_name1: metadata_label1 + airr_column_name2: metadata_label2 + import_productive: True # whether to include productive sequences in the dataset + import_with_stop_codon: False # whether to include sequences with stop codon in the dataset + import_out_of_frame: False # whether to include out of frame sequences in the dataset + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even if the `sequences` column is empty (provided that other fields are as specified here) + import_empty_aa_sequences: False # remove all sequences with empty `sequence_aas` column + # Optional fields with AIRR-specific defaults, only change when different behavior is required: + separator: "\t" # column separator + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping AIRR: immuneML + junction: sequences + junction_aa: sequence_aas + v_call: v_alleles + j_call: j_alleles + locus: chains + duplicate_count: counts + sequence_id: sequence_identifiers + + +ImmuneML +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports the dataset from the files previously exported by immuneML. It closely resembles the AIRR format but relies on binary +representations and is optimized for faster read-in at runtime. + +ImmuneMLImport can import any kind of dataset (RepertoireDataset, SequenceDataset, ReceptorDataset). + +This format includes: + + 1. a dataset file in yaml format with iml_dataset extension with parameters: + + - name, + - identifier, + - metadata_file (for repertoire datasets), + - metadata_fields (for repertoire datasets), + - repertoire_ids (for repertoire datasets) + - element_ids (for receptor and sequence datasets), + - labels, + + 2. a csv metadata file (only for repertoire datasets, should be in the same folder as the iml_dataset file), + + 3. data files for different types of data. For repertoire datasets, data files include one binary numpy file per repertoire with sequences and associated information and one metadata yaml file per repertoire with details such as repertoire identifier, disease status, subject id and other similar available information. For sequence and receptor datasets, sequences or receptors respectively, are stored in batches in binary numpy files. + +Arguments: + +- path (str): The path to the previously created dataset file. This file should have an '.iml_dataset' extension. If the path has not been specified, immuneML attempts to load the dataset from a specified metadata file (only for RepertoireDatasets). + +- metadata_file (str): An optional metadata file for a RepertoireDataset. If specified, the RepertoireDataset metadata will be updated to the newly specified metadata without otherwise changing the Repertoire objects + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_dataset: + format: ImmuneML + params: + path: path/to/dataset.iml_dataset + metadata_file: path/to/metadata.csv + + +ImmunoSEQRearrangement +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data from Adaptive Biotechnologies immunoSEQ Analyzer rearrangement-level .tsv files into a +Repertoire-, or SequenceDataset. +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets should be used when predicting values for unpaired (single-chain) immune receptors, like +antigen specificity. + +The format of the files imported by this importer is described here: +https://www.adaptivebiotech.com/wp-content/uploads/2019/07/MRK-00342_immunoSEQ_TechNote_DataExport_WEB_REV.pdf +Alternatively, to import sample-level .tsv files, see :ref:`ImmunoSEQSample` import + +The only difference between these two importers is which columns they load from the .tsv files. + + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. Only the files included under the column 'filename' are imported into the RepertoireDataset. For setting SequenceDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- import_productive (bool): Whether productive sequences (with value 'In' in column frame_type) should be included in the imported sequences. By default, import_productive is True. + +- import_with_stop_codon (bool): Whether sequences with stop codons (with value 'Stop' in column frame_type) should be included in the imported sequences. By default, import_with_stop_codon is False. + +- import_out_of_frame (bool): Whether out of frame sequences (with value 'Out' in column frame_type) should be included in the imported sequences. By default, import_out_of_frame is False. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as immunoSEQ files use the IMGT junction. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping from immunoSEQ column names to immuneML's internal data representation. For immunoSEQ rearrangement-level files, this is by default set the values shown below in YAML format. A custom column mapping can be specified here if necessary (for example: adding additional data fields if they are present in the file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. + + .. indent with spaces + .. code-block:: yaml + + rearrangement: sequence + amino_acid: sequence_aa + v_resolved: v_call + j_resolved: j_call + templates: duplicate_count + locus: chain + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For immunoSEQ rearrangement-level files, this is by default set to: + + .. indent with spaces + .. code-block:: yaml + + v_resolved: v_alleles + j_resolved: j_alleles + +- columns_to_load (list): Specifies which subset of columns must be loaded from the file. By default, this is: [rearrangement, v_family, v_gene, v_allele, j_family, j_gene, j_allele, amino_acid, templates, frame_type, locus] + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are immunoSEQ column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. For immunoSEQ rearrangement .tsv files, there is no default metadata_column_mapping. + +- separator (str): Column separator, for ImmunoSEQ files this is by default "\t". + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter will typically be False (import only non-empty amino acid sequences) + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_immunoseq_dataset: + format: ImmunoSEQRearrangement + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset (True) or a SequenceDataset (False) + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + metadata_column_mapping: # metadata column mapping ImmunoSEQ: immuneML for SequenceDataset + immunoseq_column_name1: metadata_label1 + immunoseq_column_name2: metadata_label2 + import_productive: True # whether to include productive sequences in the dataset + import_with_stop_codon: False # whether to include sequences with stop codon in the dataset + import_out_of_frame: False # whether to include out of frame sequences in the dataset + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + # Optional fields with ImmunoSEQ rearrangement-specific defaults, only change when different behavior is required: + separator: "\t" # column separator + columns_to_load: # subset of columns to load + - rearrangement + - v_family + - v_gene + - v_resolved + - j_family + - j_gene + - j_resolved + - amino_acid + - templates + - frame_type + - locus + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping immunoSEQ: immuneML + rearrangement: sequence + amino_acid: sequence_aa + v_resolved: v_call + j_resolved: j_call + templates: duplicate_count + locus: chain + + +ImmunoSEQSample +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data from Adaptive Biotechnologies immunoSEQ Analyzer sample-level .tsv files into a +Repertoire-, or SequenceDataset. +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets should be used when predicting values for unpaired (single-chain) immune receptors, like +antigen specificity. + +The format of the files imported by this importer is described here in section 3.4.13 +https://clients.adaptivebiotech.com/assets/downloads/immunoSEQ_AnalyzerManual.pdf +Alternatively, to import rearrangement-level .tsv files, see :ref:`ImmunoSEQRearrangement` import. +The only difference between these two importers is which columns they load from the .tsv files. + + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. Only the files included under the column 'filename' are imported into the RepertoireDataset. For setting SequenceDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- import_productive (bool): Whether productive sequences (with value 'In' in column frame_type) should be included in the imported sequences. By default, import_productive is True. + +- import_with_stop_codon (bool): Whether sequences with stop codons (with value 'Stop' in column frame_type) should be included in the imported sequences. By default, import_with_stop_codon is False. + +- import_out_of_frame (bool): Whether out of frame sequences (with value 'Out' in column frame_type) should be included in the imported sequences. By default, import_out_of_frame is False. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as immunoSEQ files use the IMGT junction. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping from immunoSEQ column names to immuneML's internal data representation. For immunoSEQ sample-level files, this is by default set to the values shown bellow in YAML format. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. + + .. indent with spaces + .. code-block:: yaml + + nucleotide: sequence + aminoAcid: sequence_aa + vGeneName: v_call + jGeneName: j_call + sequenceStatus: frame_type + vFamilyName: v_family + jFamilyName: j_family + vGeneAllele: v_allele + jGeneAllele: j_allele + count (templates/reads): duplicate_count + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For immunoSEQ sample .tsv files, there is no default column_mapping_synonyms. + +- columns_to_load (list): Specifies which subset of columns must be loaded from the file. By default, this is: [nucleotide, aminoAcid, count (templates/reads), vFamilyName, vGeneName, vGeneAllele, jFamilyName, jGeneName, jGeneAllele, sequenceStatus]; these are the columns from the original file that will be imported + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are immunoSEQ column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. For immunoSEQ sample .tsv files, there is no default metadata_column_mapping. + +- separator (str): Column separator, for ImmunoSEQ files this is by default "\t". + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_immunoseq_dataset: + format: ImmunoSEQSample + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset (True) or a SequenceDataset (False) + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + metadata_column_mapping: # metadata column mapping ImmunoSEQ: immuneML for SequenceDataset + immunoseq_column_name1: metadata_label1 + immunoseq_column_name2: metadata_label2 + import_productive: True # whether to include productive sequences in the dataset + import_with_stop_codon: False # whether to include sequences with stop codon in the dataset + import_out_of_frame: False # whether to include out of frame sequences in the dataset + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + # Optional fields with ImmunoSEQ sample-specific defaults, only change when different behavior is required: + separator: "\t" # column separator + columns_to_load: # subset of columns to load + - nucleotide + - aminoAcid + - count (templates/reads) + - vFamilyName + - vGeneName + - vGeneAllele + - jFamilyName + - jGeneName + - jGeneAllele + - sequenceStatus + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping immunoSEQ: immuneML + nucleotide: sequence + aminoAcid: sequence_aa + vGeneName: v_call + jGeneName: j_call + sequenceStatus: frame_type + vFamilyName: v_family + jFamilyName: j_family + vGeneAllele: v_allele + jGeneAllele: j_allele + count (templates/reads): duplicate_count + + +MiXCR +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data in MiXCR format into a Repertoire-, or SequenceDataset. +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets should be used when predicting values for unpaired (single-chain) immune receptors, like +antigen specificity. + + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with MiXCR files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. Only the MiXCR files included under the column 'filename' are imported into the RepertoireDataset. For setting SequenceDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence, such as '_', are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as MiXCR uses IMGT junction as CDR3. Alternatively to importing the CDR3 sequence, other region types can be specified here as well. Valid values are `IMGT_CDR3`, `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`. + +- column_mapping (dict): A mapping from MiXCR column names to immuneML's internal data representation. The columns that specify the sequences to import are handled by the region_type parameter. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the MiXCR file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. For MiXCR, this is by default set to: + + .. indent with spaces + .. code-block:: yaml + + cloneCount: duplicate_count + allVHitsWithScore: v_call + allJHitsWithScore: j_call + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For MiXCR format, there is no default column_mapping_synonyms. + +- columns_to_load (list): Specifies which subset of columns must be loaded from the MiXCR file. By default, this is: [cloneCount, allVHitsWithScore, allJHitsWithScore, aaSeqCDR3, nSeqCDR3] + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are MiXCR column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. For MiXCR format, there is no default metadata_column_mapping. + +- separator (str): Column separator, for MiXCR this is by default "\t". + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_mixcr_dataset: + format: MiXCR + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset (True) or a SequenceDataset (False) + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + metadata_column_mapping: # metadata column mapping MiXCR: immuneML for SequenceDataset + mixcrColumnName1: metadata_label1 + mixcrColumnName2: metadata_label2 + region_type: IMGT_CDR3 # what part of the sequence to import + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + # Optional fields with MiXCR-specific defaults, only change when different behavior is required: + separator: "\t" # column separator + columns_to_load: # subset of columns to load, sequence columns are handled by region_type parameter + - cloneCount + - allVHitsWithScore + - allJHitsWithScore + - aaSeqCDR3 + - nSeqCDR3 + column_mapping: # column mapping MiXCR: immuneML + cloneCount: duplicate_count + allVHitsWithScore: v_call + allJHitsWithScore: j_call + + +OLGA +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data generated by `OLGA `_ simulations into a Repertoire-, or SequenceDataset. Assumes that the columns in each +file correspond to: nucleotide sequences, amino acid sequences, v genes, j genes + +Reference: Sethna, Zachary et al. +‘High-throughput immune repertoire analysis with IGoR’. Bioinformatics, (2019) +`doi.org/10.1093/bioinformatics/btz035 `_. + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with OLGA files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. Only the OLGA files included under the column 'filename' are imported into the RepertoireDataset. SequenceDataset metadata is currently not supported. + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as OLGA uses the IMGT junction. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- separator (str): Column separator, for OLGA this is by default "\t". + +- column_mapping (dict): defines which columns to import from olga format: keys are the number of the columns and values are the names of the columns to be mapped to + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_olga_dataset: + format: OLGA + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset (True) or a SequenceDataset (False) + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + # Optional fields with OLGA-specific defaults, only change when different behavior is required: + separator: "\t" # column separator + region_type: IMGT_CDR3 # what part of the sequence to import + columns_to_load: [0, 1, 2, 3] + column_mapping: + 0: sequences + 1: sequence_aas + 2: v_genes + 3: j_genes + + +SingleLineReceptor +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data from a tabular file (where each line contains a pair of immune receptor sequences) into a ReceptorDataset. +If you instead want to import a ReceptorDataset from a tabular file that contains one receptor sequence per line, +see :ref:`Generic` import. + + +Arguments: + +- path (str): Required parameter. This is the path to a directory with files to import. + +- receptor_chains (str): Required parameter. Determines which pair of chains to import for each Receptor. Valid values for receptor_chains are: `TRA_TRB`, `TRG_TRD`, `IGH_IGL`, `IGH_IGK`. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. When IMGT_CDR3 is specified, immuneML assumes the IMGT junction (including leading C and trailing Y/F amino acids) is used in the input file, and the first and last amino acids will be removed from the sequences to retrieve the IMGT CDR3 sequence. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping where the keys are the column names in the input file, and the values must be mapped to the following fields: _amino_acid_sequence, _nucleotide_sequence, _v_gene, _j_gene, identifier, epitope. The possible names that can be filled in for are: `ALPHA`, `BETA`, `GAMMA`, `DELTA`, `HEAVY`, `LIGHT`, `KAPPA`. Any column namme other than the sequence, v/j genes and identifier will be set as metadata fields to the Receptors, and can subsequently be used as labels in immuneML instructions. For TCR alpha-beta receptor import, a column mapping could for example look like this: + + .. indent with spaces + .. code-block:: yaml + + cdr3_a_aa: alpha_amino_acid_sequence + cdr3_b_aa: beta_amino_acid_sequence + cdr3_a_nucseq: alpha_nucleotide_sequence + cdr3_b_nucseq: beta_nucleotide_sequence + v_a_gene: alpha_v_call + v_b_gene: beta_v_call + j_a_gene: alpha_j_call + j_b_gene: beta_j_call + clone_id: identifier + count: duplicate_count + epitope: epitope # metadata field + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. + +- columns_to_load (list): Optional; specifies which columns to load from the input file. This may be useful if the input files contain many unused columns. If no value is specified, all columns are loaded. + +- separator (str): Required parameter. Column separator, for example "\t" or ",". + +- organism (str): The organism that the receptors came from. This will be set as a parameter in the ReceptorDataset object. + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_receptor_dataset: + format: SingleLineReceptor + params: + path: path/to/files/ + receptor_chains: TRA_TRB # what chain pair to import + separator: "\t" # column separator + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + region_type: IMGT_CDR3 # what part of the sequence to import + columns_to_load: # which subset of columns to load from the file + - subject + - epitope + - count + - v_a_gene + - j_a_gene + - cdr3_a_aa + - v_b_gene + - j_b_gene + - cdr3_b_aa + - clone_id + column_mapping: # column mapping file: immuneML + cdr3_a_aa: alpha_amino_acid_sequence + cdr3_b_aa: beta_amino_acid_sequence + cdr3_a_nucseq: alpha_nucleotide_sequence + cdr3_b_nucseq: beta_nucleotide_sequence + v_a_gene: alpha_v_call + v_b_gene: beta_v_call + j_a_gene: alpha_j_call + j_b_gene: beta_j_call + count: duplicate_count + clone_id: identifier + epitope: epitope + organism: mouse + + +TenxGenomics +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data from the 10xGenomics Cell Ranger analysis pipeline into a Repertoire-, Sequence- or ReceptorDataset. +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets or ReceptorDatasets should be used when predicting values for unpaired (single-chain) and paired +immune receptors respectively, like antigen specificity. + +The files that should be used as input are named 'Clonotype consensus annotations (CSV)', +as described here: https://support.10xgenomics.com/single-cell-vdj/software/pipelines/latest/output/annotation#consensus + +Note: by default the 10xGenomics field 'umis' is used to define the immuneML field counts. If you want to use the 10x Genomics +field reads instead, this can be changed in the column_mapping (set reads: counts). +Furthermore, the 10xGenomics field clonotype_id is used for the immuneML field cell_id. + + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with 10xGenomics files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset or ReceptorDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. For setting Sequence- or ReceptorDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- paired (str): Required for Sequence- or ReceptorDatasets. This parameter determines whether to import a SequenceDataset (paired = False) or a ReceptorDataset (paired = True). In a ReceptorDataset, two sequences with chain types specified by receptor_chains are paired together based on the identifier given in the 10xGenomics column named 'clonotype_id'. + +- receptor_chains (str): Required for ReceptorDatasets. Determines which pair of chains to import for each Receptor. Valid values are `TRA_TRB`, `TRG_TRD`, `IGH_IGL`, `IGH_IGK`. If receptor_chains is not provided, the chain pair is automatically detected (only one chain pair type allowed per repertoire). + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as 10xGenomics uses IMGT junction as CDR3. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping from 10xGenomics column names to immuneML's internal data representation. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the 10xGenomics file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. For 10xGenomics, this is by default set to: + + .. indent with spaces + .. code-block:: yaml + + cdr3: sequence_aa + cdr3_nt: sequence + v_gene: v_call + j_gene: j_call + umis: duplicate_count + clonotype_id: cell_id + consensus_id: sequence_id + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For 10xGenomics format, there is no default column_mapping_synonyms. + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are 10xGenomics column names and values are the names that are internally used in immuneML as metadata fields. These metadata fields can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. For 10xGenomics format, there is no default metadata_column_mapping. + +- separator (str): Column separator, for 10xGenomics this is by default ",". + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_10x_dataset: + format: 10xGenomics + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + paired: False # whether to import SequenceDataset (False) or ReceptorDataset (True) when is_repertoire = False + receptor_chains: TRA_TRB # what chain pair to import for a ReceptorDataset + metadata_column_mapping: # metadata column mapping 10xGenomics: immuneML for SequenceDataset + tenx_column_name1: metadata_label1 + tenx_column_name2: metadata_label2 + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + # Optional fields with 10xGenomics-specific defaults, only change when different behavior is required: + separator: "," # column separator + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping 10xGenomics: immuneML + cdr3: sequence_aa + cdr3_nt: sequence + v_gene: v_call + j_gene: j_call + umis: duplicate_count + clonotype_id: cell_id + consensus_id: sequence_id + + +VDJdb +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Imports data in VDJdb format into a Repertoire-, Sequence- or ReceptorDataset. +RepertoireDatasets should be used when making predictions per repertoire, such as predicting a disease state. +SequenceDatasets or ReceptorDatasets should be used when predicting values for unpaired (single-chain) and paired +immune receptors respectively, like antigen specificity. + + +Arguments: + +- path (str): For RepertoireDatasets, this is the path to a directory with VDJdb files to import. For Sequence- or ReceptorDatasets this path may either be the path to the file to import, or the path to the folder locating one or multiple files with .tsv, .csv or .txt extensions. By default path is set to the current working directory. + +- is_repertoire (bool): If True, this imports a RepertoireDataset. If False, it imports a SequenceDataset or ReceptorDataset. By default, is_repertoire is set to True. + +- metadata_file (str): Required for RepertoireDatasets. This parameter specifies the path to the metadata file. This is a csv file with columns filename, subject_id and arbitrary other columns which can be used as labels in instructions. For setting Sequence- or ReceptorDataset metadata, metadata_file is ignored, see metadata_column_mapping instead. + +- paired (str): Required for Sequence- or ReceptorDatasets. This parameter determines whether to import a SequenceDataset (paired = False) or a ReceptorDataset (paired = True). In a ReceptorDataset, two sequences with chain types specified by receptor_chains are paired together based on the identifier given in the VDJdb column named 'complex.id'. + +- receptor_chains (str): Required for ReceptorDatasets. Determines which pair of chains to import for each Receptor. Valid values are `TRA_TRB`, `TRG_TRD`, `IGH_IGL`, `IGH_IGK`. If receptor_chains is not provided, the chain pair is automatically detected (only one chain pair type allowed per repertoire). + +- import_illegal_characters (bool): Whether to import sequences that contain illegal characters, i.e., characters that do not appear in the sequence alphabet (amino acids including stop codon '*', or nucleotides). When set to false, filtering is only applied to the sequence type of interest (when running immuneML in amino acid mode, only entries with illegal characters in the amino acid sequence are removed). By default import_illegal_characters is False. + +- import_empty_nt_sequences (bool): imports sequences which have an empty nucleotide sequence field; can be True or False. By default, import_empty_nt_sequences is set to True. + +- import_empty_aa_sequences (bool): imports sequences which have an empty amino acid sequence field; can be True or False; for analysis on amino acid sequences, this parameter should be False (import only non-empty amino acid sequences). By default, import_empty_aa_sequences is set to False. + +- region_type (str): Which part of the sequence to import. By default, this value is set to IMGT_CDR3. This means the first and last amino acids are removed from the CDR3 sequence, as VDJdb uses IMGT junction as CDR3. Specifying any other value will result in importing the sequences as they are. Valid values are `IMGT_CDR1`, `IMGT_CDR2`, `IMGT_CDR3`, `IMGT_FR1`, `IMGT_FR2`, `IMGT_FR3`, `IMGT_FR4`, `IMGT_JUNCTION`, `FULL_SEQUENCE`. + +- column_mapping (dict): A mapping from VDJdb column names to immuneML's internal data representation. A custom column mapping can be specified here if necessary (for example; adding additional data fields if they are present in the VDJdb file, or using alternative column names). Valid immuneML fields that can be specified here are ['sequence_aa', 'sequence', 'v_call', 'j_call', 'chain', 'duplicate_count', 'frame_type', 'sequence_id', 'cell_id'].. For VDJdb, this is by default set to: + + .. indent with spaces + .. code-block:: yaml + + V: v_call + J: j_call + CDR3: sequence_aa + complex.id: sequence_id + Gene: chain + +- column_mapping_synonyms (dict): This is a column mapping that can be used if a column could have alternative names. The formatting is the same as column_mapping. If some columns specified in column_mapping are not found in the file, the columns specified in column_mapping_synonyms are instead attempted to be loaded. For VDJdb format, there is no default column_mapping_synonyms. + +- metadata_column_mapping (dict): Specifies metadata for Sequence- and ReceptorDatasets. This should specify a mapping similar to column_mapping where keys are VDJdb column names and values are the names that are internally used in immuneML as metadata fields. This means that epitope, epitope_gene and epitope_species can be used as prediction labels for Sequence- and ReceptorDatasets. This parameter can also be used to specify sequence-level metadata columns for RepertoireDatasets, which can be used by reports. To set prediction label metadata for RepertoireDatasets, see metadata_file instead. For VDJdb format, this parameter is by default set to: + + .. indent with spaces + .. code-block:: yaml + + Epitope: epitope + Epitope gene: epitope_gene + Epitope species: epitope_species + +- separator (str): Column separator, for VDJdb this is by default "\t". + + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_vdjdb_dataset: + format: VDJdb + params: + path: path/to/files/ + is_repertoire: True # whether to import a RepertoireDataset + metadata_file: path/to/metadata.csv # metadata file for RepertoireDataset + paired: False # whether to import SequenceDataset (False) or ReceptorDataset (True) when is_repertoire = False + receptor_chains: TRA_TRB # what chain pair to import for a ReceptorDataset + import_illegal_characters: False # remove sequences with illegal characters for the sequence_type being used + import_empty_nt_sequences: True # keep sequences even though the nucleotide sequence might be empty + import_empty_aa_sequences: False # filter out sequences if they don't have sequence_aa set + # Optional fields with VDJdb-specific defaults, only change when different behavior is required: + separator: "\t" # column separator + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping VDJdb: immuneML + V: v_call + J: j_call + CDR3: sequence_aa + complex.id: sequence_id + Gene: chain + metadata_column_mapping: # metadata column mapping VDJdb: immuneML + Epitope: epitope + Epitope gene: epitope_gene + Epitope species: epitope_species + diff --git a/docs/_sources/specs/definitions/gen_models.rst.txt b/docs/_sources/specs/definitions/gen_models.rst.txt new file mode 100644 index 00000000..13af75ba --- /dev/null +++ b/docs/_sources/specs/definitions/gen_models.rst.txt @@ -0,0 +1,67 @@ + +ExperimentalImport +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Allows to import existing experimental data and perform annotations and simulations on top of them. + +Arguments: + +- import_format (str): see the list of supported formats under :ref:`Supported dataset formats` + +- tmp_import_path (str): where to store the imported files + +- import_params (dict): as defined under the import format selected in the first parameter; for details see :ref:`Supported dataset formats` + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + generative_model: + import_format: AIRR + tmp_import_path: ./tmp/ + import_params: + path: path/to/files/ + region_type: IMGT_CDR3 # what part of the sequence to import + column_mapping: # column mapping AIRR: ligo + junction: sequence + junction_aa: sequence_aa + locus: chain + type: ExperimentalImport + + +OLGA +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +This is a wrapper for the OLGA package as described by Sethna et al. 2019 (OLGA package on PyPI or GitHub: https://github.com/statbiophys/OLGA). + +Reference: + +Zachary Sethna, Yuval Elhanati, Curtis G Callan, Jr, Aleksandra M Walczak, Thierry Mora, OLGA: fast computation of generation probabilities +of B- and T-cell receptor amino acid sequences and motifs, Bioinformatics, Volume 35, Issue 17, 1 September 2019, Pages 2974–2981, +https://doi.org/10.1093/bioinformatics/btz035 + +Note: + +- OLGA generates sequences that correspond to IMGT junction and are used for matching as such. See the https://github.com/statbiophys/OLGA for more details. + +- Gene names are as provided in OLGA (either in default models or in the user-specified model files). For simulation, one should use gene names in the same format. + +Arguments: + +- model_path (str): if not default model, this parameter should point to a folder where the four OLGA/IGOR format files are stored (could also be inferred from some experimental data) + +- default_model_name (str): if not using custom models, one of the OLGA default models could be specified here; the value should be the same as it would be passed to command line in OLGA: e.g., humanTRB, human IGH + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + generative_model: + type: OLGA + model_path: None + default_model_name: humanTRB + diff --git a/docs/_sources/specs/definitions/simulation.rst.txt b/docs/_sources/specs/definitions/simulation.rst.txt new file mode 100644 index 00000000..ca3e432b --- /dev/null +++ b/docs/_sources/specs/definitions/simulation.rst.txt @@ -0,0 +1,271 @@ + +SeedMotif +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Describes motifs by seed, possible gaps, allowed hamming distances, positions that can be changed and what they can be changed to. + +Arguments: + +- seed (str): An amino acid sequence that represents the basic motif seed. All implanted motifs correspond to the seed, or a modified version thereof, as specified in its instantiation strategy. If this argument is set, seed_chain1 and seed_chain2 arguments are not used. + +- min_gap (int): The minimum gap length, in case the original seed contains a gap. + +- max_gap (int): The maximum gap length, in case the original seed contains a gap. + +- hamming_distance_probabilities (dict): The probability of modifying the given seed with each number of modifications. The keys represent the number of modifications (hamming distance) between the original seed and the implanted motif, and the values represent the probabilities for the respective number of modifications. For example {0: 0.7, 1: 0.3} means that 30% of the time one position will be modified, and the remaining 70% of the time the motif will remain unmodified with respect to the seed. The values of hamming_distance_probabilities must sum to 1. + +- position_weights (dict): A dictionary containing the relative probabilities of choosing each position for hamming distance modification. The keys represent the position in the seed, where counting starts at 0. If the index of a gap is specified in position_weights, it will be removed. The values represent the relative probabilities for modifying each position when it gets selected for modification. For example {0: 0.6, 1: 0, 2: 0.4} means that when a sequence is selected for a modification (as specified in hamming_distance_probabilities), then 60% of the time the amino acid at index 0 is modified, and the remaining 40% of the time the amino acid at index 2. If the values of position_weights do not sum to 1, the remainder will be redistributed over all positions, including those not specified. + +- alphabet_weights (dict): A dictionary describing the relative probabilities of choosing each amino acid for hamming distance modification. The keys of the dictionary represent the amino acids and the values are the relative probabilities for choosing this amino acid. If the values of alphabet_weights do not sum to 1, the remainder will be redistributed over all possible amino acids, including those not specified. + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + motifs: + # examples for single chain receptor data + my_simple_motif: # this will be the identifier of the motif + seed: AAA # motif is always AAA + my_gapped_motif: + seed: AA/A # this motif can be AAA, AA_A, CAA, CA_A, DAA, DA_A, EAA, EA_A + min_gap: 0 + max_gap: 1 + hamming_distance_probabilities: # it can have a max of 1 substitution + 0: 0.7 + 1: 0.3 + position_weights: # note that index 2, the position of the gap, is excluded from position_weights + 0: 1 # only first position can be changed + 1: 0 + 3: 0 + alphabet_weights: # the first A can be replaced by C, D or E + C: 0.4 + D: 0.4 + E: 0.2 + + +PWM +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Motifs defined by a positional weight matrix and using bionumpy's PWM internally. +For more details on bionumpy's implementation of PWM, as well as for supported formats, +see the documentation at https://bionumpy.github.io/bionumpy/tutorials/position_weight_matrix.html. + +Arguments: + +- file_path: path to the file where the PWM is stored + +- threshold (float): when matching PWM to a sequence, this is the threshold to consider the sequence as containing the motif + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + motifs: + my_custom_pwm: # this will be the identifier of the motif + file_path: my_pwm_1.jaspar + threshold: 2 + + +Signal +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +This class represents the simulated signal. +A signal is represented by a list of motifs, and optionally, position weights showing where one of the motifs of the signal can +occur in a sequence. + +A signal is associated with a metadata label, which is assigned to a receptor or repertoire. +For example antigen-specific/disease-associated (receptor) or diseased (repertoire). + +.. note:: IMGT positions + + To use sequence position weights, IMGT positions should be explicitly specified as strings, under quotation marks, to allow for all positions to be properly distinguished. + +Arguments: + +- motifs (list): A list of the motifs associated with this signal, either defined by seed or by position weight matrix. Alternatively, it can be a list of a list of motifs, in which case the motifs in the same sublist (max 2 motifs) have to co-occur in the same sequence + +- sequence_position_weights (dict): a dictionary specifying for each IMGT position in the sequence how likely it is for the signal to be there. If the position is not present in the sequence, the probability of the signal occurring at that position will be redistributed to other positions with probabilities that are not explicitly set to 0 by the user. + +- v_call (str): V gene with allele if available that has to co-occur with one of the motifs for the signal to exist; can be used in combination with rejection sampling, or full sequence implanting, otherwise ignored; to match in a sequence for rejection sampling, it is checked if this value is contained in the same field of generated sequence; + +- j_call (str): J gene with allele if available that has to co-occur with one of the motifs for the signal to exist; can be used in combination with rejection sampling, or full sequence implanting, otherwise ignored; to match in a sequence for rejection sampling, it is checked if this value is contained in the same field of generated sequence; + +- source_file (str): path to the file where the custom signal function is; cannot be combined with the arguments listed above (motifs, v_call, j_call, sequence_position_weights) + +- is_present_func (str): name of the function from the source_file file that will be used to specify the signal; the function's signature must be: + +.. code-block:: python + + def is_present(sequence_aa: str, sequence: str, v_call: str, j_call: str) -> bool: + # custom implementation where all or some of these arguments can be used + +- clonal_frequency (dict): clonal frequency in Ligo is simulated through `scipy's zeta distribution function for generating random numbers `_, with parameters provided under clonal_frequency parameter. If clonal frequency should not be used, this parameter can be None + +.. code-block:: yaml + + clonal_frequency: + a: 2 # shape parameter of the distribution + loc: 0 # 0 by default but can be used to shift the distribution + + +YAML specification: + +.. code-block:: yaml + + signals: + my_signal: + motifs: + - my_simple_motif + - my_gapped_motif + sequence_position_weights: + '109': 0.5 + '110': 0.5 + v_call: TRBV1 + j_call: TRBJ1 + clonal_frequency: + a: 2 + loc: 0 + signal_with_custom_func: + source_file: signal_func.py + is_present_func: is_signal_present + clonal_frequency: + a: 2 + loc: 0 + + +Simulation config +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +Defines all parameters of the simulation. + +Arguments: + +- sim_items (dict): a list of SimConfigItems defining individual units of simulation + +- is_repertoire (bool): whether the simulation is on a repertoire (person) or sequence/receptor level + +- paired: if the simulation should output paired data, this parameter should contain a list of a list of sim_item pairs referenced by name that should be combined; if paired data is not needed, then it should be False + +- sequence_type (str): either amino_acid or nucleotide + +- simulation_strategy (str): either RejectionSampling or Implanting, see the tutorials for more information on choosing one of these + +- keep_p_gen_dist (bool): if possible, whether to keep the distribution of generation probabilities of the sequences the same as provided by the model without any signals + +- p_gen_bin_count (int): if keep_p_gen_dist is true, how many bins to use to approximate the generation probability distribution + +- remove_seqs_with_signals (bool): if true, it explicitly controls the proportions of signals in sequences and removes any accidental occurrences + +- species (str): species that the sequences come from; used to select correct genes to export full length sequences; default is 'human' + +- implanting_scaling_factor (int): determines in how many receptors to implant the signal in reach iteration; this is computed as number_of_receptors_needed_for_signal * implanting_scaling_factor; useful when using Implanting simulation strategy in combination with importance sampling, since the generation probability of some receptors with implanted signals might be very rare and those receptors might end up not being kept often with importance sampling; this parameter is only used when keep_p_gen_dist is set to True + +YAML specification: + +.. code-block:: yaml + + simulations: + sim1: + is_repertoire: false + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + sim_items: + sim_item1: # group of sequences with same simulation params + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 100 + seed: 1002 + signals: + signal1: 1 + + +Simulation config item +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +When performing a simulation, one or more simulation config items can be specified. Config items define groups of repertoires or receptors +that have the same simulation parameters, such as signals, generative model, clonal frequencies, noise parameters. + + +Arguments: + +- signals (dict): signals for the simulation item and the proportion of sequences in the repertoire that will have the given signal. For receptor-level simulation, the proportion will always be 1. + +- is_noise (bool): indicates whether the implanting should be regarded as noise; if it is True, the signals will be implanted as specified, but the repertoire/receptor in question will have negative class. + +- generative_model: parameters of the generative model, including its type, path to the model; currently supported models are OLGA and ExperimentalImport + +- seed (int): starting random seed for the generative model (it should differ across simulation items, or it can be set to null when not used) + +- false_positives_prob_in_receptors (float): when performing repertoire level simulation, what percentage of sequences should be false positives + +- false_negative_prob_in_receptors (float): when performing repertoire level simulation, what percentage of sequences should be false negatives + +- immune_events (dict): a set of key-value pairs that will be added to the metadata (same values for all data generated in one simulation sim_item) and can be later used as labels + +- default_clonal_frequency (dict): clonal frequency in Ligo is simulated through `scipy's zeta distribution function for generating random numbers `_, with parameters provided under default_clonal_frequency parameter. These parameters will be used to assign count values to sequences that do not contain any signals if they are required by the simulation. If clonal frequency shouldn't be used, this parameter can be None + + .. indent with spaces + .. code-block:: yaml + + clonal_frequency: + a: 2 # shape parameter of the distribution + loc: 0 # 0 by default but can be used to shift the distribution + +- sequence_len_limits (dict): allows for filtering the generated sequences by length, needs to have parameters min and max specified; if not used, min/max should be -1 + + .. indent with spaces + .. code-block:: yaml + + sequence_len_limits: + min: 4 # keep sequences of length 4 and longer + max: -1 # no limit on the max length of the sequences + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + simulations: # definitions of simulations should be under key simulations in the definitions part of the specification + # one simulation with multiple implanting objects, a part of definition section + my_simulation: + sim_item1: + number_of_examples: 10 + seed: null # don't use seed + receptors_in_repertoire_count: 100 + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + signals: + my_signal: 0.25 + my_signal2: 0.01 + my_signal__my_signal2: 0.02 # my_signal and my_signal2 will co-occur in 2% of the receptors in all 10 repertoires + sim_item2: + number_of_examples: 5 + receptors_in_repertoire_count: 150 + seed: 10 # + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + signals: + my_signal: 0.75 + default_clonal_frequency: + a: 2 + sequence_len_limits: + min: 3 + + diff --git a/docs/_sources/specs/instructions/FeasibilitySummary.rst.txt b/docs/_sources/specs/instructions/FeasibilitySummary.rst.txt new file mode 100644 index 00000000..1acb7147 --- /dev/null +++ b/docs/_sources/specs/instructions/FeasibilitySummary.rst.txt @@ -0,0 +1,28 @@ + + + +FeasibilitySummaryInstruction instruction creates a small synthetic dataset and reports summary metrics to show if the simulation with the given +parameters is feasible. The input parameters to this analysis are the name of the simulation +(the same that can be used with LigoSim instruction later if feasibility analysis looks acceptable), and the number of sequences to +simulate for estimating the feasibility. + +The feasibility analysis is performed for each generative model separately as these could differ in the analyses that will be reported. + +Arguments: + +- simulation (str): a name of a simulation object containing a list of SimConfigItem as specified under definitions key; defines how to combine signals with simulated data; specified under definitions + +- sequence_count (int): how many sequences to generate to estimate feasibility (default value: 100 000) + +- number_of_processes (int): for the parts of the analysis that are possible to parallelize, how many processes to use + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_feasibility_summary: # user-defined name of the instruction + type: FeasibilitySummary # which instruction to execute + simulation: sim1 + sequence_count: 10000 + diff --git a/docs/_sources/specs/instructions/LigoSim.rst.txt b/docs/_sources/specs/instructions/LigoSim.rst.txt new file mode 100644 index 00000000..56fb6aa6 --- /dev/null +++ b/docs/_sources/specs/instructions/LigoSim.rst.txt @@ -0,0 +1,31 @@ + + + +LIgO simulation instruction creates a synthetic dataset from scratch based on the generative model and a set of signals provided by +the user. + +Arguments: + +- simulation (str): a name of a simulation object containing a list of SimConfigItem as specified under definitions key; defines how to combine signals with simulated data; specified under definitions + +- sequence_batch_size (int): how many sequences to generate at once using the generative model before checking for signals and filtering + +- max_iterations (int): how many iterations are allowed when creating sequences + +- export_p_gens (bool): whether to compute generation probabilities (if supported by the generative model) for sequences and include them as part of output + +- number_of_processes (int): determines how many simulation items can be simulated in parallel + +YAML specification: + +.. indent with spaces +.. code-block:: yaml + + my_simulation_instruction: # user-defined name of the instruction + type: LIgOSim # which instruction to execute + simulation: sim1 + sequence_batch_size: 1000 + max_iterations: 1000 + export_p_gens: False + number_of_processes: 4 + diff --git a/docs/_sources/specs/instructions/instructions.rst.txt b/docs/_sources/specs/instructions/instructions.rst.txt new file mode 100644 index 00000000..c70d4c4f --- /dev/null +++ b/docs/_sources/specs/instructions/instructions.rst.txt @@ -0,0 +1,10 @@ +FeasibilitySummary +--------------------------- + +.. include:: specs/instructions/FeasibilitySummary.rst + +LigoSim +--------------------------- + +.. include:: specs/instructions/LigoSim.rst + diff --git a/docs/_sources/tutorials.rst.txt b/docs/_sources/tutorials.rst.txt new file mode 100644 index 00000000..e663f1b3 --- /dev/null +++ b/docs/_sources/tutorials.rst.txt @@ -0,0 +1,42 @@ +Tutorials +========== + +This page provides an overview of tutorials to get started with LIgO. All tutorials assume you have LIgO already installed. +For details on how to do that, see :ref:`Installing LIgO`. + +Each LIgO simulation begins with defining immune signals and immune events. To learn how to construct immune signals and events in the YAML specification file, see this tutorial: + +- :ref:`How to define immune signals and immune events` + + +When immune events and immune signals are defined, the user should choose between two simulation strategies — rejection sampling or signal implantation. Also we recommend users to assess feasibility of defined simulation parameters before running the main simulation. See the tutorials below: + +- :ref:`How to choose between rejection sampling and signal implantation` + +- :ref:`How to check feasibility of the simulation parameters` + +- :ref:`How to handle the maximum iterations were reached error` + + +These tutorials cover the more complex usage of LIgO simulations. For basic usage of LIgO simulation see :ref:`Quickstart` tutorials. + +- :ref:`How to simulate co-occuring immune signals` + +- :ref:`Paired chain simulations in LIgO` + +- :ref:`Simulation with custom signal functions` + + +List of all tutorials +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +.. toctree:: + :maxdepth: 1 + + tutorials/how_to_define_immune_signals_and_events + tutorials/how_to_choose_simulation_strategy + tutorials/how_to_check_feasibility_of_sim_params + tutorials/how_to_handle_the_maximum_iterations_were_reached_error + tutorials/simulation_with_custom_signal_functions + tutorials/how_to_simulate_paired_chain_data + tutorials/how_to_simulate_co-occuring_signals diff --git a/docs/_sources/tutorials/how_to_check_feasibility_of_sim_params.rst.txt b/docs/_sources/tutorials/how_to_check_feasibility_of_sim_params.rst.txt new file mode 100644 index 00000000..27890147 --- /dev/null +++ b/docs/_sources/tutorials/how_to_check_feasibility_of_sim_params.rst.txt @@ -0,0 +1,191 @@ +How to check feasibility of the simulation parameters +------------------------------------------------------- + +LIgO supports simulations that consist of any immune signal (any k-mer or PWM or any combination of them), +so it might hard to know in advance how frequent a signal is or how it works with other signals of interest. For that +purpose, LIgO provides a separate analysis called **FeasibilitySummary**. It is especially useful if rejection sampling is +used as a simulation strategy or when removing background +receptors that accidentally contain some of the signals when implanting is used as a simulation strategy. + +This analysis simulates a predefined number of sequences for each generative model provided in the simulation and reports +the following information per generative model: + +- frequencies of each signal, +- how many sequences contain how many signals, +- joint probabilities for pairs of signals, +- conditional probabilities of observing one signal in the sequences given that another is already observed, +- sequence length distribution, +- warnings if some signals are very rare or very frequent. + +This tutorial shows how to run the **FeasibilitySummary** analysis. + + +Step 1: Define potential immune signals and the simulation +======================================================================= + +The first step is to define a simulation. For example, in this tutorial we will define 4 signals, with one motif each. +We will request to simulate 2 immune repertoires corresponding to 2 individuals: one repertoire to have signal1 in 50% of the +sequences and signal4 in 20%. The other repertoire will be specified to have 10% of sequences with signal1 and 20% of +sequences with signal2. For more details on defining immune signals, see :ref:`How to define immune signals and immune events`. + +The specification for the signals and the simulation looks like this: + +.. code-block:: yaml + + motifs: + motif1: + seed: AS + motif2: + seed: G + motif3: + seed: C + motif4: + seed: SLVTY + signals: + signal1: + motifs: + - motif1 + signal2: + motifs: + - motif2 + signal3: + motifs: + - motif3 + signal4: + motifs: + - motif4 + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + sim_items: + repertoire_group1: + generative_model: + default_model_name: humanTRB + model_path: null + type: OLGA + immune_events: + ievent1: true + ievent2: false + is_noise: false + number_of_examples: 1 + receptors_in_repertoire_count: 6 + seed: 100 + signals: + signal1: 0.5 + signal4: 0.2 + repertoire_group2: + generative_model: + default_model_name: humanTRB + model_path: null + type: OLGA + immune_events: + ievent1: false + ievent2: false + is_noise: false + number_of_examples: 1 + receptors_in_repertoire_count: 10 + seed: 2 + signals: + signal1: 0.1 + signal2: 0.2 + simulation_strategy: RejectionSampling + +Step 2: Define how to generate the summary +=================================================== + +For the simulation with the given parameters, we can now specify how to provide the feasibility summary. We need to provide +the number of receptor sequences to generate to conduct the analysis and connect it to the simulation we are interested in. +The higher the number of generated sequences, the better the estimate of signal occurrences. However, higher number of +sequences and their annotation and summarization will result in longer running times. + +.. code-block:: yaml + + inst1: + sequence_count: 100 + simulation: sim1 + type: FeasibilitySummary + +Step 3: Run the analysis and explore results +================================================ + +The full specification of the feasibility summary is the following: + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AS + motif2: + seed: G + motif3: + seed: C + motif4: + seed: SLVTY + signals: + signal1: + motifs: + - motif1 + signal2: + motifs: + - motif2 + signal3: + motifs: + - motif3 + signal4: + motifs: + - motif4 + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + sim_items: + repertoire_group1: + generative_model: + default_model_name: humanTRB + model_path: null + type: OLGA + immune_events: + ievent1: true + ievent2: false + is_noise: false + number_of_examples: 1 + receptors_in_repertoire_count: 6 + seed: 100 + signals: + signal1: 0.5 + signal4: 0.2 + repertoire_group2: + generative_model: + default_model_name: humanTRB + model_path: null + type: OLGA + immune_events: + ievent1: false + ievent2: false + is_noise: false + number_of_examples: 1 + receptors_in_repertoire_count: 10 + seed: 2 + signals: + signal1: 0.1 + signal2: 0.2 + simulation_strategy: RejectionSampling + instructions: + inst1: + sequence_count: 100 + simulation: sim1 + type: FeasibilitySummary + output: + format: HTML + +Save this specification as `specs.yaml` and run the feasibility analysis: + +.. code-block:: console + + ligo specs.yaml simulation_output + +Under the `simulation_output` folder, open the `index.html` file to explore the results. diff --git a/docs/_sources/tutorials/how_to_choose_simulation_strategy.rst.txt b/docs/_sources/tutorials/how_to_choose_simulation_strategy.rst.txt new file mode 100644 index 00000000..ecd2a9aa --- /dev/null +++ b/docs/_sources/tutorials/how_to_choose_simulation_strategy.rst.txt @@ -0,0 +1,43 @@ +How to choose between rejection sampling and signal implantation +--------------------------------------------------------------------- + +LIgO supports two ways of simulating receptors containing an immune signal: rejection sampling and signal implantation. +Which one is a better choice depends on the signal and its motifs. In this text, we provide a short description of the +two and outline some recommendations on choosing the right one for the specific use case. + +Signal implantation +======================= + +For a given receptor sequence, e.g., `AAAAAAA`, and a signal that has a motif `CCC`, implanting the given signal could result +in the sequence `AACCCAA`. It overwrites the part of the sequence with the subsequence determined by the motif and other +signal parameters. + +Rejection sampling +====================== + +All receptor sequences in LIgO come from some generative model. Most often, that can be the OLGA tool. It generates a set of background sequences. +For the purpose of simulation, LIgO then annotates all the sequences as containing user-defined signals or not. If +rejection sampling is used, all the sequences that do not contain the signal are then discarded. When this type of simulation is used, +none of the sequences are overwritten, but instead, they are generated until a sufficient number of them is found that +fulfills the conditions imposed by the signal definition. + +For example, for a set of sequences `AAA`, `CCC`, `TTT`, `CCA` coming from a generative model, and a signal that has a motif `CC`, +only sequences `CCC` and `CCA` will be kept as signal-specific. + +Choosing between simulation strategies +========================================= + +Rejection sampling might be a better choice if: + +- it is important to preserve biological rules of sequence generation +- the generation probabilities of sequences should be preserved +- the signals naturally occur often in the sequences coming from the generative model. + +Implanting might be a better choice: + +- waiting for signal-specific sequences to be generated by the generative model might take a long time due to rare motifs or rare combinations of motifs, positions and genes, +- generative model does not contain any biological rules of sequence generation anyway (e.g., random sequences are generated for the purpose of some simple benchmarking). + +How long it would take for a simulation to complete depends on the chosen immune signals, but it is hard to know in +advance when choosing the signal how much the generation would take. To get an estimate of this, LIgO provides the +Feasibility Summary analysis. For a tutorial on this analysis, see :ref:`How to check feasibility of the simulation parameters`. \ No newline at end of file diff --git a/docs/_sources/tutorials/how_to_define_immune_signals_and_events.rst.txt b/docs/_sources/tutorials/how_to_define_immune_signals_and_events.rst.txt new file mode 100644 index 00000000..0c7c901f --- /dev/null +++ b/docs/_sources/tutorials/how_to_define_immune_signals_and_events.rst.txt @@ -0,0 +1,249 @@ +How to define immune signals and immune events +------------------------------------------------- + +Adaptive immune receptors (AIRs) specifically recognize various antigens, so they can be labeled with antigen specificity. +Adaptive immune receptor repertoires (AIRRs) coming from individual patients can in a similar way be labeled with individual's disease state(s). +To facilitate development and benchmarking of AIRR-related machine learning models, we focus on biological **immune events** (e.g., disease, allergy, vaccination) +and **immune signals** that reflect the binding rules to the immune event antigens. Because of this formalization, +multiple immune signals can be associated with a single immune event. + +In this tutorial, we describe this formalization we make in more details and connect it to the simulation specification. +More details on each of the options in the specification can be found under :ref:`YAML specification` page. + +To define an immune signal on the AIR level, we define the following: + +- a set of **motifs** determining the content of the receptor sequence, where motifs are defined as a distribution over amino acids or nucleotides, +- motif locations in the CDR3, +- V gene, +- J gene. + +Motifs +======== + +LIgO allows for two types of motifs: + +- a motif based on the seed string with possible gaps and allowed variations from the seed and +- a positional weight matrix describing multinomial distribution of amino acids or nucleotides over the motif positions. + +Seed motif +************* + +Here is an example of the motif definition based on a seed. It is possible to define seed that can optionally contain a +gap denoted with `/` sign, minimum and maximum size of the gap, probabilities of different Hamming distances (how many +letters in the motif can be changed and with what probability), position weights (probabilities that a letter in the +seed will be changed for each letter), and alphabet weights (which letters to pick for replacement to implement the +required Hamming distance). + +.. code-block:: yaml + + my_simple_motif: # the name of the motif used for reference later + seed: AAA # motif is always AAA + my_gapped_motif: # the name of the more complex motif where / sign denotes a possible gap location + seed: AA/A # this motif can be AAA, AA_A, CAA, CA_A, DAA, DA_A, EAA, EA_A + min_gap: 0 # how many gaps can there be: min 0 and max 1 + max_gap: 1 + hamming_distance_probabilities: # it can have a max of 1 substitution + 0: 0.7 + 1: 0.3 + position_weights: # note that index 2, the position of the gap, is excluded from position_weights + 0: 1 # only first position can be changed + 1: 0 + 3: 0 + alphabet_weights: # the first A can be replaced by C, D or E + C: 0.4 + D: 0.4 + E: 0.2 + + +Positional weight matrix +*************************** + +Motifs can alternatively be defined as positional weight matrices (PWMs). For importing PWMs (and later annotation of +sequences with motifs defined as PWMs), LIgO relies on bionumpy library and supports the formats supported by the library. +For more information, see `bionumpy documentation on PWMs `_. + +Here is an example of a motif defined in the `JASPAR` format. It includes the name of the motif in the first line and +in the subsequent lines the counts of specific nucleotide at the given position are provided. + +.. code-block:: text + + >MA0080.1 SPI1 + A [ 14 4 3 56 56 3 ] + C [ 21 2 0 1 0 18 ] + G [ 19 48 52 0 0 34 ] + T [ 3 3 2 0 1 2 ] + +To define such motif in the YAML specification, one needs to provide the path to the file where the motif is stored and +the threshold value - when matching the PWM to a sequence later, this is the threshold to consider the sequence as +containing the motif. + +.. code-block:: yaml + + my_custom_pwm: # this will be the identifier of the motif + file_path: my_pwm_1.jaspar + threshold: 2 + +Position of the motif in the sequence +======================================= + +LIgO supports the use of IMGT positions to specify where the motifs of one signal may occur in the sequence. To specify +the positions for the signal, one can define the position and the corresponding probability. For positions not explicitly +mentioned in the definition, the probability of the motifs occurring will be redistributed from remaining probability. +Specifically, for the example below, the motifs have the probability of 0.9 to occur at positions `109` and `110` and 0.1 total probability +to occur at any other position in the sequence. If some positions are explicitly not allowed, their probability can be +set to 0. + +.. code-block:: yaml + + sequence_position_weights: # the motifs have the probability of 0.9 to occur at positions 109 and 110 + '109': 0.5 + '110': 0.4 + +User-defined functions for signal definition +============================================== + +While the previously presented options allow for flexible definitions of motifs and signals, it is possible that the +user might have a different idea of how to define the signal. For that purpose, LIgO supports defining custom functions +that will for the given sequence return True/False based on whether the signal is in the sequence. For more details on +this option, see :ref:`Simulation with custom signal functions`. + +Complete example of signal definition for receptor-level simulation +==================================================================== + +Here is an example of how a set of motifs can be defined and put together under `my_signal`. + +.. code-block:: yaml + + motifs: + my_simple_motif: # the name of the motif used for reference later + seed: AAA # motif is always AAA + my_gapped_motif: # the name of the more complex motif where / sign denotes a possible gap location + seed: AA/A # this motif can be AAA, AA_A, CAA, CA_A, DAA, DA_A, EAA, EA_A + min_gap: 0 # how many gaps can there be: min 0 and max 1 + max_gap: 1 + hamming_distance_probabilities: # it can have a max of 1 substitution + 0: 0.7 + 1: 0.3 + position_weights: # note that index 2, the position of the gap, is excluded from position_weights + 0: 1 # only first position can be changed + 1: 0 + 3: 0 + alphabet_weights: # the first A can be replaced by C, D or E + C: 0.4 + D: 0.4 + E: 0.2 + signals: + my_signal: # the name of the signal used for reference later in the simulation specification + motifs: + - my_simple_motif + - my_gapped_motif + sequence_position_weights: + '109': 0.5 + '110': 0.4 + v_call: TRBV1 + j_call: TRBJ1 + +Here `my_signal` has two possible motifs that occur in IMGT positions `109` or `110` with probability 0.9 or in any +other position with probability 0.1, and that have to occur in combination with TRBV1 and TRBJ1 genes. + +Repertoire-level simulation +============================= + +In addition to the immune signal parameters described above, when defining the immune signal on the repertoire level, +we additionally provide the percentage of the +repertoire containing the given immune signal and the clonal frequency. Clonal frequency is modeled via zeta distribution +function from scipy and it is parameterized by shape parameter of the distribution (called `a` in scipy) and the `loc` +parameter that can be used to shift the distribution. Here is an example: + +.. code-block:: yaml + + signals: + my_signal: # same signal as before, with added clonal frequency parameters + motifs: + - my_simple_motif + - my_gapped_motif + sequence_position_weights: + '109': 0.5 + '110': 0.5 + v_call: TRBV1 + j_call: TRBJ1 + clonal_frequency: + a: 2 + loc: 0 + +Simulating immune events +========================== + +We can define one or more signals as described above. If we want to combine multiple signals under a single label to +denote a single immune event (e.g., T1D disease state), LIgO supports this in the following way: + +1. First all signals are defined, +2. The simulation configuration is provided that defines how the signals will be combined. + +For each group of examples with the same parameters, we define the combination of signals under `signals` key. Then, for +that group, we assign the value of the label of interest. For example, to simulate a group of 30 type 1 diabetes (T1D)-specific +repertoires, where 20 repertoires have the disease and 10 do not, we may specify that positive repertoires contain +`my_signal`, but all of these repertoires contain `my_other_signal`, which could be specific to some other immune event +that is present in the full cohort. An example of such simulation configuration is provided below. + +.. code-block:: yaml + + my_simulation_config: + is_repertoire: true # we do repertoire-level simulation + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + remove_seqs_with_signals: true # remove signal-specific AIRs from the background + sim_items: + t1d_positive_repertoires_group1: # group of AIRs with the same parameters + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 10 # we simulate 10 repertoires + receptors_in_repertoire_count: 100 # each repertoire has 100 receptors + signals: + my_signal: 0.1 # 10% of the receptors in the repertoire contain my_signal + my_other_signal: 0.2 # 20% of the receptors contain my_other_signal + immune_events: + T1D: true + t1d_positive_repertoires_group2: # group of AIRs with the same parameters + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 10 # we simulate 10 repertoires + receptors_in_repertoire_count: 100 # each repertoire has 100 receptors + signals: + my_signal: 0.15 # 15% of the receptors in the repertoire contain my_signal + my_other_signal: 0.2 # 20% of the receptors contain my_other_signal + immune_events: + T1D: true + t1d_negative_receptors: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + number_of_examples: 10 # we simulate 10 repertoires + receptors_in_repertoire_count: 100 # each repertoire has 100 receptors + signals: + my_other_signal: 0.03 # 3% of the receptors contain my_other_signal but none contain my_signal + immune_events: + T1D: false + +Immune events on the receptor level +************************************* + +It is possible to define immune events in the same way on the receptor level. They could denote the same as on the +repertoire level: the disease state to which the signals listed are specific to, or some other label of interest, e.g., +experiment or patient from which the receptor came from. + +Next steps +============ + +For a full minimal working example, see the :ref:`Quickstart`. For detailed description of all the parameters and possible +values, see :ref:`YAML specification`. For help on choosing the content of the signals and motifs, see :ref:`How to check feasibility of the simulation parameters`. +For the discussion on defining immune events and signals in this way, see also `the LIgO manuscript `_. diff --git a/docs/_sources/tutorials/how_to_handle_the_maximum_iterations_were_reached_error.rst.txt b/docs/_sources/tutorials/how_to_handle_the_maximum_iterations_were_reached_error.rst.txt new file mode 100644 index 00000000..ffe0c725 --- /dev/null +++ b/docs/_sources/tutorials/how_to_handle_the_maximum_iterations_were_reached_error.rst.txt @@ -0,0 +1,31 @@ +How to handle the maximum iterations were reached error +---------------------- + +LIgO has two parameters, which may impact succuss of the simulation: the number of AIRs LIgO has to generate in every iteration (sequence_batch_size) and the maximum number of iterations (max_iterations). + +When achieving the number of required AIRs before the maximum number of iterations, the LIgO simulation will stop. However, when the number of required AIRs is not reached after the maximum number of iterations, the following error will be reported: + +*LigoSimInstruction: maximum iterations were reached, but the simulation could not finish with parameters:…* + +In this situation, you have multiple options to proceed. First of all, take a look at the results and see how many AIRs were generated. In case of an error, the results for every simulation item are stored in + +.. code-block:: yaml + + results/inst1/simulation_item/processed_sequences/name_of_the_signal.tsv + +For example, if the name of your simulated signal is "signal1" then the signal-specific AIRs will be stored in this file: + +.. code-block:: yaml + + results/inst1/var1/processed_sequences/signal1.tsv + +Tips for handling the maximum iterations were reached error +===================================== + +#. If you only need a few more AIRs, you can increase the sequence_batch_size and the max_iterations and wait a bit longer. If no additional data is needed, you could already work with the data that has been generated. + +#. In case the number of generated AIRs is very low, you must adapt your signal definition or change your simulation method from rejection sampling to signal implantation. + +.. note:: + + Before initiating a large simulation process, first estimate the success of the simulation by running the simulation feasibility report. For more details see :ref:`How to check feasibility of the simulation parameters` diff --git a/docs/_sources/tutorials/how_to_simulate_co-occuring_signals.rst.txt b/docs/_sources/tutorials/how_to_simulate_co-occuring_signals.rst.txt new file mode 100644 index 00000000..42c747a4 --- /dev/null +++ b/docs/_sources/tutorials/how_to_simulate_co-occuring_signals.rst.txt @@ -0,0 +1,99 @@ +How to simulate co-occuring immune signals +--------------------------------------------------------------------- + +LIgO supports simulation of co-occurring immune signals using rejection sampling. In this tutorial, we replicate the simulation of the usecase 2 from the LIgO manuscript. Briefly, we will perform repertoire-level simulation, where some TRBs contain two signals belonging to two different immune events. We define signal 1 as a 3-mer GDT and signal 2 as a 3-mer SGL. + +Step 1: Define immune signals +```````````````````````````````````` + +We begin by defining immune signals for simulation. This step remains consistent with standard LIgO simulation, even when we aim to simulate the occurrence of two immune signals within one receptor. + + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: GDT + motif2: + seed: SGL + signals: + signal1: + motifs: [motif1] + signal2: + motifs: [motif2] + +Step 2: Define frequency of each individual signal and the pair of signals in a repertoire +```````````````````````````````````````````````````````````````````````` +.. code-block:: yaml + + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + sim_items: + AIRR1: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + is_noise: false + number_of_examples: 10 # we simulate 10 reprtoires + receptors_in_repertoire_count: 1000 # we simulate 1000 BCRs in each repertoire + signals: + signal1__signal2: 0.1 # 10% of BCRs contain both signal 1 and signal 2 + signal1: 0.2 # 20% of BCRs contain signal 1 + signal2: 0.2 # 20% of BCRs contain signal 2 + + +Step 3: Run the simulation with the following yaml file +````````````````````````````` + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: GDT + motif2: + seed: SGL + signals: + signal1: + motifs: [motif1] + signal2: + motifs: [motif2] + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + sim_items: + AIRR1: + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + is_noise: false + number_of_examples: 10 # we simulate 10 reprtoires + receptors_in_repertoire_count: 1000 # we simulate 1000 BCRs in each repertoire + signals: + signal1__signal2: 0.1 # 10% of BCRs contain both signal 1 and signal 2 + signal1: 0.2 # 20% of BCRs contain signal 1 + signal2: 0.2 # 20% of BCRs contain signal 2 + instructions: + inst1: + export_p_gens: false # could take some time to compute (from olga) + max_iterations: 1000 + number_of_processes: 4 + sequence_batch_size: 100000 + simulation: sim1 + type: LigoSim + + + + diff --git a/docs/_sources/tutorials/how_to_simulate_paired_chain_data.rst.txt b/docs/_sources/tutorials/how_to_simulate_paired_chain_data.rst.txt new file mode 100644 index 00000000..c48296de --- /dev/null +++ b/docs/_sources/tutorials/how_to_simulate_paired_chain_data.rst.txt @@ -0,0 +1,277 @@ +Paired chain simulations in LIgO +================================== + +LIgO supports paired chain simulations under a simplifying assumption that the individual chains are generated independently, but allows for some logic +in terms of how to pair the chains. + +This tutorial contains two sections: paired chain simulation on the receptor level and paired chain simulation on the +repertoire level. + +Paired chain simulation on the receptor level +------------------------------------------------ + +To simulate paired receptor sequences, we define how to simulate each chain, and then how to pair them. + +Step 1: Define immune signals +```````````````````````````````````` + +We first define immune signals that will be used for simulation. There are no additional restrictions on how to define them +compared to any other LIgO simulation, except that if the immune signal contains V or J gene, it can only be present in +the chain that has those genes (e.g., signal with TRBV1 can only exist in TRB sequences, but not in TRA). + +We define two immune signals consisting of one k-mer each: + +.. code-block:: yaml + + motifs: + motif1: + seed: AS + motif2: + seed: GG + signals: + signal1: + motifs: [motif1] + signal2: + motifs: [motif2] + +Step 2: Define the simulation of individual chains and their pairing +```````````````````````````````````````````````````````````````````````` + +The following specification defines the simulation with 10 TRA sequences and TRB sequences, and uses `paired` parameter +to specify which simulation items to combine (here `sim_alpha` and `sim_beta`). + +.. code-block:: yaml + + simulations: + sim1: + sim_items: + sim_alpha: # how to simulate alpha chain + generative_model: + default_model_name: humanTRA + type: OLGA + number_of_examples: 10 # 10 sequences + seed: 100 + signals: + signal2: 1 # all of the sequences should contain signal2 + sim_beta: # how to simulate beta chain + generative_model: + default_model_name: humanTRB + type: OLGA + number_of_examples: 10 # 10 sequences + seed: 2 + signals: + signal1: 1 # all of the sequences should contain signal1 + is_repertoire: false # simulation is on the receptor level, not repertoire + paired: # how to pair simulation items + - [sim_alpha, sim_beta] # here only one combination, but could be many + sequence_type: amino_acid + simulation_strategy: RejectionSampling + +Step 3: Run the simulation +````````````````````````````` + +Save the full specification to `paired_sim_receptor_specs.yaml`: + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AS + motif2: + seed: GG + signals: + signal1: + motifs: [motif1] + signal2: + motifs: [motif2] + simulations: + sim1: + sim_items: + sim_alpha: # how to simulate alpha chain + generative_model: + default_model_name: humanTRA + type: OLGA + number_of_examples: 10 # 10 sequences + seed: 100 + signals: + signal2: 1 # all of the sequences should contain signal2 + sim_beta: # how to simulate beta chain + generative_model: + default_model_name: humanTRB + type: OLGA + number_of_examples: 10 # 10 sequences + seed: 2 + signals: + signal1: 1 # all of the sequences should contain signal1 + is_repertoire: false # simulation is on the receptor level, not repertoire + paired: # how to pair simulation items + - [sim_alpha, sim_beta] # here only one combination, but could be many + sequence_type: amino_acid + simulation_strategy: RejectionSampling + instructions: + inst1: # user-defined instruction name and the name of the output folder + export_p_gens: false + max_iterations: 100 + number_of_processes: 2 + sequence_batch_size: 100 + simulation: sim1 + type: LigoSim + output: + format: HTML + +Run LIgO using the following command: + +.. code-block:: console + + ligo paired_sim_receptor_specs.yaml simulation_output_receptor + +All results will be located in `simulation_output_receptor` folder. + +Step 4: Explore results of receptor-level simulation +``````````````````````````````````````````````````````` + +The simulated dataset is located under `simulation_output_receptor/inst1/exported_dataset/airr/batch1.tsv`. Some +of the columns are shown in the table below: + +.. list-table:: Simulated receptors in AIRR format + :header-rows: 1 + + * - junction_aa + - locus + - cell_id + - signal1 + - signal2 + * - CAFHGGATNKLIF + - TRA + - eb73d6fabc684aa5bb2c3faaff5bc1d1 + - 0 + - 1 + * - CASSESEKVRSSTDTQYF + - TRB + - eb73d6fabc684aa5bb2c3faaff5bc1d1 + - 1 + - 0 + * - CAETGGTSYGKLTF + - TRA + - 307e92e0fd734fc48239aaa8af911637 + - 0 + - 1 + * - CASSPEGQGCNQPQHF + - TRB + - 307e92e0fd734fc48239aaa8af911637 + - 1 + - 0 + +In the output, each row represent one chain, and if the chains come from the same receptor, they have the same `cell_id`. +The `cell_id` field contains a unique hex value to fully determine the cell. + +Paired chain simulation on the repertoire level +------------------------------------------------ + +The paired chain simulation on the repertoire level is defined in the same way as the receptor level simulation. The +difference between these two levels comes from the fact that not all receptors in the repertoire contain signals, so +the signal pairing itself is slightly different. + +Signals for repertoires are defined in the following way: + +.. code-block:: yaml + + signals: + signal1: 0.2 + signal2: 0.1 + +This means that 20% of the repertoire sequences will contain signal1 and 10% of the sequences will contain signal2. +This definition is on the level of a single chain for one repertoire (e.g., beta). + +For the other chain (e.g., alpha), the repertoire signals could be defined like this: + +.. code-block:: yaml + + signals: + signal1: 0.1 + signal2: 0.2 + +This means that 10% of the repertoire sequences will contain signal1 and 20% will contain signal2. + +If these were now to be used to make paired chain repertoire, the resulting repertoires will contain: + +- 10% of receptors with signal1 in both chains, +- 10% of receptors in with signal1 in beta chain and signal2 in alpha chain, +- 10% of receptors with signal2 in both chains. + +The chains are simply combined in the order that signals are defined. + +If for the alpha chain for example, the proportion of signal2 was larger that 0.2, the remaining alpha sequences with +signal2 would be paired with beta chain sequences without any signal. + +Step 1: Define the YAML specification for repertoire-level paired chain simulation +``````````````````````````````````````````````````````````````````````````````````````` + +Save the specification to `paired_sim_repertoire_specs.yaml`: + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AS + motif2: + seed: GG + signals: + signal1: + motifs: [motif1] + signal2: + motifs: [motif2] + simulations: + sim1: + is_repertoire: true + paired: + - [sim_alpha, sim_beta] # combine repertoires from these two simulation items + sequence_type: amino_acid + sim_items: + sim_alpha: + generative_model: + default_model_name: humanTRA + type: OLGA + number_of_examples: 10 # 10 repertoires + receptors_in_repertoire_count: 10 # 10 alpha chain sequences per repertoire + seed: 100 + signals: + signal1: 0.1 + signal2: 0.2 + sim_beta: + generative_model: + default_model_name: humanTRB + type: OLGA + number_of_examples: 10 # 10 repertoires + receptors_in_repertoire_count: 10 # 10 beta chain sequences per repertoire + seed: 2 + signals: + signal1: 0.2 + signal2: 0.1 + simulation_strategy: RejectionSampling + instructions: + inst1: + export_p_gens: false + max_iterations: 100 + number_of_processes: 2 + sequence_batch_size: 100 + simulation: sim1 + type: LigoSim + output: + format: HTML + +Step 2: Run the simulation +````````````````````````````` + +Run LIgO using the following command: + +.. code-block:: console + + ligo paired_sim_repertoire_specs.yaml simulation_output_repertoire + +All results will be located in `simulation_output_repertoire` folder. Each repertoire file will contain alpha and beta +chain sequences. The sequences coming from the same receptor will have the same `cell_id` as illustrated in the receptor +simulation case above. + diff --git a/docs/_sources/tutorials/simulation_with_custom_signal_functions.rst.txt b/docs/_sources/tutorials/simulation_with_custom_signal_functions.rst.txt new file mode 100644 index 00000000..726ed202 --- /dev/null +++ b/docs/_sources/tutorials/simulation_with_custom_signal_functions.rst.txt @@ -0,0 +1,98 @@ +Simulation with custom signal functions +========================================== + +In LIgO, signals are most often defined using (gapped) k-mers or positional weight matrices. However, as this way of +defining signals can be limiting to a certain degree, LIgO also allows users to have more generic definition of a signal. +Signals can be specified using a **custom function** that takes a receptor sequence as input and outputs True/False +depending on whether the sequence satisfy some custom criteria from that function. + +In this tutorial, we provide a simple example of what such functions might look like and how to specify the simulation +using signals with custom function. We assume that LIgO is already installed. + +.. note:: + + This way of defining signals can only be used in combination with rejection sampling. + +Step 1: Defining the custom signal function +--------------------------------------------- + +The custom signal function is defined in a separate Python file. The function will always get the following arguments: + +- amino acid sequence (sequence_aa) +- nucleotide sequence (sequence) +- V gene (v_call) +- J gene (j_call) + +The output of the function should always be a single value, either True or False. + +As the first step of the tutorial, save the following code to the file custom_function.py: + +.. code-block:: python + + def is_present(sequence_aa: str, sequence: str, v_call: str, j_call: str) -> bool: + return any(aa in sequence_aa for aa in ['A', 'T']) and len(sequence_aa) > 12 + +In this case, we assume that the sequence contains signal if it contains `A` or `T` and is longer than 12 amino acids. +In principle, any logic could be implemented inside this function. + +Step 2: Define the YAML specification +----------------------------------------- + +The YAML specification fully defines the simulation to be performed. Save the following specification to specs.yaml in +the same folder as custom_function.py. + +Signal definition here (for signal1) consists of two parameters: + +- is_present_func: stating the name of the function to use from the provided python file to assess if the signal is present, +- source_file: stating the path to the python file where the custom function is located. + +The rest of the simulation is defined in the same way as when k-mers or PWMs are used. + +.. code-block:: yaml + + definitions: + signals: + signal1: # signal with the custom signal function + is_present_func: is_present + source_file: custom_function.py + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + sim_items: + sim_item1: + generative_model: # use OLGA humanTRB model to generate sequence + default_model_name: humanTRB + type: OLGA + number_of_examples: 10 # generate 10 repertoires + receptors_in_repertoire_count: 6 # each repertoire should have 6 receptor sequences + seed: 100 # random seed for sequence generation to ensure reproducibility + signals: # which signals should be in the simulated repertoires + signal1: 0.5 # 50% of receptor sequences should have signal1 and the rest should have no signal + simulation_strategy: RejectionSampling # use rejection sampling to filter out sequences based on signal presence/absence + instructions: + inst1: + export_p_gens: false # do not compute p gens for generated sequences + max_iterations: 100 + number_of_processes: 1 + sequence_batch_size: 100 + simulation: sim1 + type: LigoSim + output: + format: HTML + +Step 3: Running the simulation +---------------------------------- + +When the two files mentioned above are saved, run the following: + +.. code-block:: console + + ligo specs.yaml simulation_output + +The simulation for this specification should only take a few seconds and all results will be stored in the +`simulation_output` folder. + + + diff --git a/docs/_sources/usecases.rst.txt b/docs/_sources/usecases.rst.txt new file mode 100644 index 00000000..dca8f1b9 --- /dev/null +++ b/docs/_sources/usecases.rst.txt @@ -0,0 +1,32 @@ +Use case examples +================================ + +This page provides examples on how LIgO can be used to validate AIRR-ML approaches. All use cases assume you have LIgO already installed. For details on how to do that, see :ref:`Installing LIgO`. + + +The LIgO manuscript showcases LIgO on two use cases. The following sections provide a description of how to reproduce these use cases. + +1. :ref:`Manuscript use case 1: Out-of-distribution receptor-level simulation using LIgO` + +2. :ref:`Manuscript use case 2: Limitations of conventional encoding schemes for repertoire-level binary classification when immune signals co-occur within the same AIR` + + +The following group of use cases is inspired by the manucript "Revealing the hidden structure of epitope-specific TCR repertoires and its influence on model performance" (link will be added soon). From these use cases you can learn how to define LIgO motifs inspired by VDJdb database, simulate epitope-specific TCRs based on these motifs, and inspect the simulated TCRs compared to experimental data. + +1. :ref:`Constructing LIgO motifs inspired by a database of TCR sequences with known antigen specificities` + +2. :ref:`Simulating epitope-specific TCRs and validating their properies` + + +List of all usecases +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +.. toctree:: + :maxdepth: 1 + + usecases/usecase1 + usecases/usecase2 + usecases/TCR_motifs.rst + usecases/epitope-specific_TCR_AIRRs.rst + + diff --git a/docs/_sources/usecases/TCR_motifs.rst.txt b/docs/_sources/usecases/TCR_motifs.rst.txt new file mode 100644 index 00000000..4e20588e --- /dev/null +++ b/docs/_sources/usecases/TCR_motifs.rst.txt @@ -0,0 +1,339 @@ +Constructing LIgO motifs inspired by a database of TCR sequences with known antigen specificities +=================================================== + +LIgO enables the generation of motifs using either (i) a combination of a short amino acid sequence (i.e., a seed) and a list of Hamming distances, representing the allowed deviations from the seed or (ii) a position weight matrix (PWM). + +In this tutorial, we demonstrate how one can use a database of TCRs with known antigen specificities to construct more biologically-relevant LIgO motifs. These database-inspired motifs can be used to simulate epitope-specific TCR data, i.e., a collection of TCRs derived from different individuals that are all recognizing the same epitope. + +We suggest two approaches for constructing database-inspired LIgO motifs: + +1. `Basic approach: defining motifs based on a seed and a list of Hamming distances <#basic-approach:-defining-motifs-based-on-a-seed-and-a-list-of-Hamming-distances>`_ + +2. `Enhanced approach: defining motifs based on PWM <#enhanced-approach:-defining-motifs-based-on-pwm>`_ + +In both approaches we will use the `VDJdb database `_ (Shugay et al., 2018; Goncharov et al., 2022) to obtain epitope-specific TCRs. However, there are more databases available, such as + +- `McPAS `_ (Tickotsky et al., 2017) + +- `IEDB `_ (Vita et al., 2019) + +- `ATLAS `_ (Borrman et al., 2017) + +- `TCRdb `_ (Chen et al., 2021) + + +Basic approach: defining motifs based on a seed and a list of Hamming distances +--------------------------------------- + +**Step 1: Constructing seeds from the VDJdb receptors** + +For demonstration purposes, we define three seeds from three TCR beta sequences in the VDJdb (Shugay et al. 2018), all recognizing the DENV3/4 epitope GTSGSPIINR (Table 1). To transform these TCRs into seeds, they need to be shrinked. Typically, the epitope-binding motif is located in the middle of CDR3 beta sequences, while the beginning and end are responsible for HLA-binding. Therefore, the center of the CDR3 beta sequence can be used as seed. In this tutorial, we will consider two ways of constructing seeds: *long seeds* and *short seeds*. + +- To construct *long seeds* we removed the first and the last 3 amino acids were removed from the CDR3 sequence; + +- To construct *short seeds* we randomly selected a consecutive substring of 3 amino acid long out of the long seed sequence in such way, that the resulting seeds are not too similar. + +Table 1 shows the long and short seeds that were selected for the three initial TCRs. We will use these two seed sets to perform two LIgO simulations, keeping all other simulation parameters identical except for the seeds. + + +.. list-table:: Table 1: Examples of the long and short seeds + :header-rows: 1 + + * - TCR beta sequence + - TRBV gene + - TRBJ gene + - Epitope + - Long Seed + - Short Seed + * - CSVELSGINQPQHF + - TRBV29-1 + - TRBJ1-5 + - GTSGSPIINR + - ELSGINQP + - SGI + * - CASSPAGGTYEQYF + - TRBV11-2 + - TRBJ2-7 + - GTSGSPIINR + - SPAGGTYE + - PAG + * - CASSGGDVREEQYF + - TRBV9 + - TRBJ2-7 + - GTSGSPIINR + - SGGDVREE + - DVR + + +**Step 2: Defining LIgO motifs based on the seeds** + +After describing the seeds, it is required to define possible deviations that are allowed from these seeds using hamming distance. To select the maximum hamming distance, consider the length of your seed and the aimed diversity of the final TCR repertoire. + +.. note:: +Shorter seeds require lower hamming distances. However, if one only wishes to simulated TCRs looking very similar to the seed, one can also lower the hamming distance. + +In this tutorial, a maximum hamming distance of two was selected so that the diversity of the simulated epitope-specific TCR receptors does not become too large. Below we show an example of how to define motifs using haming distance and long seeds. These signals can be further used for LIgO simulation based on rejection sampling or signal implantation. + +.. code-block:: yaml + + motifs: + motif1: + hamming_distance_probabilities: + 0: 0.1 # 10% of TCRs will contain ELSGINQP as the exact match + 1: 0.2 # 20% of TCRs will contain ELSGINQP with 1 mismatch + 2: 0.7 # 70% of TCRs will contain ELSGINQP with 2 mismatch + seed: ELSGINQP + motif2: + hamming_distance_probabilities: + 0: 0.1 # 10% of TCRs will contain SPAGGTYE as the exact match + 1: 0.2 # 20% of TCRs will contain SPAGGTYE with 1 mismatch + 2: 0.7 # 70% of TCRs will contain SPAGGTYE with 2 mismatch + seed: SPAGGTYE + motif3: + hamming_distance_probabilities: + 0: 0.1 # 10% of TCRs will contain SGGDVREE as the exact match + 1: 0.2 # 20% of TCRs will contain SGGDVREE with 1 mismatch + 2: 0.7 # 70% of TCRs will contain SGGDVREE with 2 mismatch + seed: SGGDVREE + +**General tips for defining a motif using a seed and Hamming distance:** + +#. Start with the full seed you want to find back in your simulated TCRs, e.g., ELSGINQP + +#. If you want to use rejection sampling, estimate the maximal hamming distance to finish your simulation in a reasonable time. You can start with a very restrictive hamming distance (e.g. max 1) and adjust it as needed. You can use the feasibility report to estimate the effectiveness of the simulation with a given set of parameters, see :ref:`How to check feasibility of the simulation parameters`. + + For example, in this tutorial we used the following rule of the thumb: + + - Seed length of 6-8 => max Hamming distance = 2 + + - Seed length of 9-10 => max Hamming distance = 3 + + - Seed length >10 => test the simulation with a maximal hamming distance of 3. If not enough TCR are simulated, increase the max hamming distance up to 4. + + If you want to use implanting, you do not need to estimate the feasibility because the simulation will be fast with any Hamming distance. + +#. Start the simulation with the selected seed and Hamming distances. Check for the presence of the predefined motif in the simulated TCRs by clustering or allocating the seed within the TCR sequences. + + +**Observations:** + +1. A large allowance for hamming distance may impact the identification of the seed sequences when simulated with shorter seeds + +Tables 2 and 3 present examples of simulated TCRs for the long and short seed simulations, respectively. As expected, most of the amino acids in the original long seed are retained, with only a few positions changed. The opposite is true for the short seeds. Since we allowed up to two Hamming distances for a seed of three amino acids, it is a challenge to identify the original seed within the simulated TCRs. + +.. list-table:: Table 2: Examples of simulated TCRs with long seeds + :header-rows: 1 + + * - junction_aa + - seed_match + - hamming_distance + - seed + * - CAAGDRSGINQPQHF + - DRSGINQP + - 2 + - ELSGINQP + * - CACTELAGGNQPQHF + - ELAGGNQP + - 2 + - ELSGINQP + * - CAIASGGRVREQFF + - SGGRVREQ + - 1 + - SGGDVREE + * - CAIQGTSGGAIREETQYF + - SGGAIREE + - 2 + - SGGDVREE + * - CAIICPGGGTYEQYF + - CPGGGTYE + - 2 + - SPAGGTYE + * - CAIPSPCGGCYEQYF + - SPCGGCYE + - 2 + - SPAGGTYE + +.. list-table:: Table 3: Examples of simulated TCRs with short seeds + :header-rows: 1 + + * - junction_aa + - seed_match + - hamming_distance + - seed + * - CAAELLEQYF + - AAE + - 2 + - PAG + * - CACCNCQPQHF + - PQH + - 2 + - PAG + * - CACDTLNEQYF + - DTL + - 2 + - DVR + * - CACEWRYNEQFF + - EWR + - 2 + - DVR + * - CACILEKLFF + - ACI + - 2 + - SGI + + + +2. Hamming distance and seed length may affect the similarity between simulation seeds and simulated TCR cluster concensuses + +We used ClustTCR (Valkiers et al., 2021) to investigate the architecture of the simulated TCRs by clustering their CDR3s with up to one allowed amino acid difference. The TCRs simulated with two different sets of seeds were clustered separately, and for each cluster, a motif summarizing the consensus sequence was calculated. The motifs for the 10 largest clusters are provided in tables 4 and 5 for the long and short seed simulation, respectively. + +When simulating the TCRs with long seeds, we observe a clear overlap between the clusTCR motifs and the original seeds. This indicates successful simulation of the original motif within the receptors. However, in the case of simulating epitope-specific TCRs using short seeds, we find that these seeds are not well represented within the clusTCR motifs. The clustering may be influenced by other common similarities outside of the predefined motif, leading to a loss of track of the original motif after simulation. + +.. note:: + +Seed length and allowed hamming distance both have an impact on the final results. Even with long seeds, unwanted results can occur if the hamming distances are set too high. As a general recommendation, we advise clustering the simulated receptors in case the exact presence of motifs is required for your study. + +.. list-table:: Table 4: Motifs of the 10 largest clusters in the simulated TCRs with large seeds + :header-rows: 1 + + * - CDR3 Motif + - Seed + - Cluster size + * - CASSp.GGtYEQYF + - SPAGGTYE + - 59 + * - CASSLSG.NQPQHF + - ELSGINQP + - 16 + * - CASSL.GINQPQHF + - ELSGINQP + - 9 + * - CASSAGG.YEQYF + - SPAGGTYE + - 7 + * - CASSGG.VRYEQYF + - SGGDVREE + - 6 + * - CASP[GP]GG.YEQYF + - SPAGGTYE + - 6 + * - CASSE.SGSNQPQHF + - ELSGINQP + - 5 + * - CASSPGtGTYEQYF + - SPAGGTYE + - 4 + * - CASSvAGGTGELFF + - SPAGGTYE + - 4 + +.. list-table:: Table 5: Motifs of the 10 largest clusters in the simulated TCRs with short seeds + :header-rows: 1 + + * - CDR3 Motif + - Seed + - Cluster size + * - CA..YEQYF + - PAG,DVR,SGI + - 15 + * - CAs.yEQYF + - PAG,DVR,SGI + - 14 + * - CA.T[AP]YEQYF + - PAG,DVR + - 9 + * - CArDEQYF + - DVR + - 8 + * - CAS..ETQYF + - SGI + - 8 + * - CAS.tYEQYF + - SGI + - 6 + * - C[RT]DYEQYF + - DVR + - 5 + * - CA[KT][SR]ETQYF + - DVR,SGI + - 5 + * - C[GV]G[QL]YEQYF + - SGI + - 5 + * - CAR.TDTQYF + - DVR + - 5 + +3. TCRs simulated with a short seed have shorter CDR3s compared to TCRs simulated with long seeds + +We also compared the distribution of CDRR3 length (in amino acids) between the TCRs generated with short and long motifs (shown in blue and red, respectively). Our observation indicates that TCRs generated with long motifs tend to be longer than those generated with short motifs. + +.. image:: ../_static/figures/usecase_VDJdb_motifs_length_distribution.png + :width: 500 + + + +Enhanced approach: defining motifs based on PWM +--------------------------------------- + +**Option 1: VDJdb CDR3 motif database** + +VDJdb provides a database of CDR3 motifs, which you can access at https://vdjdb.cdr3.net/motif to find suitable motifs. You can search for motifs based on an epitope or a CDR3 sequence or subsequence. + +The figure below showcases a SARS-CoV-2-specific motif from VDJdb. This SARS-CoV-2-specific TCRs must have 15 amino acids long CDR3 and use the germline genes TRBV27*01 and TRBJ2-1*1. + +.. image:: ../_static/figures/VDJdb_CDR3_database.png + :width: 1500 + +After clicking the Export button, you will receive a TSV file containing all the members representing the given motif. To convert the set of CDR3s into a PWM compatible with LIgO, you can use the following code: + +.. code-block:: python + + from Bio.Align import MultipleSeqAlignment + from Bio.Seq import Seq + from Bio import motifs + from Bio.motifs.jaspar import Motif + import pandas as pd + + # Load the TSV file + input_file = 'ClusterMembers_H.A.IVTDFSVIK.tsv' + df = pd.read_csv(input_file, sep='\t') + + # Construct the motif + sequences = [Seq(seq) for seq in df['cdr3aa'].tolist()] + alignment = MultipleSeqAlignment(sequences) + motif = motifs.create(alignment) + jaspar_motif = Motif(alphabet=motif.alphabet, counts=motif.counts) + + # Save the PWM in jaspar format + jaspar_output = 'pwm.jaspar' + with open(jaspar_output, 'w') as f: + f.write(f'>ClusterMembers_H.A.IVTDFSVIK\n') + f.write(jaspar_motif.format('jaspar')) + +Finally, the motif file pwm.jaspar can be used to define LIgO signal. Additional CDR3 length restricrion (15AA) can be added using the sequence_len_limits parameter in the simulation config item + +.. code-block:: yaml + + motifs: + sars-cov-2_motif: + file_path: pwm.jaspar + threshold: 2 # the threshold to consider the sequence as containing the motif, can be changed + signals: + signal1: + v_call: TRBV27*01 + j_call: TRBJ2-1*01 + motifs: [sars-cov-2_motif] + +**Option 2: VDJdb clustering by the user** + +Alternatively, one can cluster VDJdb (or any other database) to obtain PWMs for LIgO simulation. In this tutorial we demonstrate how to cluster VDJdb database using clustcr tool. For more information on clustcr tool, see `clustcr documentation `_. + + + + + + + + + diff --git a/docs/_sources/usecases/epitope-specific_TCR_AIRRs.rst.txt b/docs/_sources/usecases/epitope-specific_TCR_AIRRs.rst.txt new file mode 100644 index 00000000..f20bfe6d --- /dev/null +++ b/docs/_sources/usecases/epitope-specific_TCR_AIRRs.rst.txt @@ -0,0 +1,116 @@ +Simulating epitope-specific TCRs and validating their properties +=================== + +During the development of a new epitope-TCR prediction method, it might be useful to simulate training data to test it or study potential biases in model performance. In this tutorial, we simulate epitope-specific TCR data, i.e., a collection of TCRs derived from different individuals that are all recognizing the same epitope. + +.. note:: + + LIgO-simulated data can only resemble the general structure of epitope-specific TCRs. The actual specificities of these TCRs cannot be simulated, and thus the final simulated data are not guaranteed to contain only TCRs recognizing the same epitope. Otherwise, the problem of predicting epitope-TCR binding would be solved, and no models should be trained anymore. + + +In this tutorial, one epitope-specific TCR beta receptors are simulated from three user-defined motifs, which are considered to describe the subsequences within TCRs that are epitope-specific. Next, we ensure that the simulated data is biologically relevant by comparing the simulated TCRs to the experimental epitope-specific data. + + +Simulating of the epitope-specific TCRs +------------------------- + +We defined an epitope-specific motif using the VDJdb dtabase. Further details on transforming known epitope-specific TCRs from VDJdb into LIgO motifs can be found in the tutorial :ref:`Constructing LIgO motifs inspired by VDJdb`. In this simulation, we will utilize long seeds created in the same tutorial :ref:`Constructing LIgO motifs inspired by VDJdb`. The rejection sampling method was used to avoid introducing additional artifacts to LIgO-simulated TCRs. + +The yaml file below describes simulation parameters used for LIgO simulation. You can find more details on how the parameters for the simulation were chosen in the tutorial :ref:`Constructing LIgO motifs inspired by VDJdb` and find more information about how to run receptor-level simulation using the quickstart :ref:`How to use LIgO for receptor-level simulation`. + +.. code-block:: yaml + + definitions: + motifs: # define motifs based on long seeds + motif1: + hamming_distance_probabilities: + 0: 0.1 + 1: 0.2 + 2: 0.7 + seed: ELSGINQP + motif2: + hamming_distance_probabilities: + 0: 0.1 + 1: 0.2 + 2: 0.7 + seed: SPAGGTYE + motif3: + hamming_distance_probabilities: + 0: 0.1 + 1: 0.2 + 2: 0.7 + seed: SGGDVREE + signals: + signal1: + motifs: + - motif1 + sequence_position_weights: + '104': 0 # we did not want to start the motif at the first position, i.e. IMGT position 104 + signal2: + motifs: + - motif2 + sequence_position_weights: + '104': 0 # we did not want to start the motif at the first position, i.e. IMGT position 104 + signal3: + motifs: + - motif3 + sequence_position_weights: + '104': 0 # we did not want to start the motif at the first position, i.e. IMGT position 104 + simulations: + sim1: + is_repertoire: false + paired: false + sequence_type: amino_acid + simulation_strategy: RejectionSampling + sim_items: + var1: + generative_model: + default_model_name: humanTRB + type: OLGA + is_noise: false + number_of_examples: 300 # simulate 300 TCRs + signals: + signal1: 1 # all TCRs having signal1 + var2: + generative_model: + default_model_name: humanTRB + type: OLGA + is_noise: false + number_of_examples: 300 # simulate 300 TCRs + signals: + signal2: 1 # all TCRs having signal2 + var3: + generative_model: + default_model_name: humanTRB + type: OLGA + is_noise: false + number_of_examples: 300 # simulate 300 TCRs + signals: + signal3: 1 # all TCRs having signal3 + instructions: + inst1: + export_p_gens: false + max_iterations: 2000 + number_of_processes: 8 + sequence_batch_size: 10000 + simulation: sim1 + type: LigoSim + output: + format: HTML + +How to increase simulation complexity if required +---------------------- + +In this tutorial, we demonstrate how to simulate epitope-specific T-cell receptors using seeds obtained from the VDJdb (Shugay et al. 2018). One way to increase simulation complexity is to replace the seed-based motif with a position weight matrix (PWM) motif. To do this, one should: + +1. Select a set of TCRs from VDJdb sharing the same epitope specificity. To obtain accurate PWMs, consider epitope sequences containing a sufficient number of epitope-specific TCRs. + +2. Cluster the epitope-specific TCRs to obtain epitope-specific PWMs. This step can be performed using a tool like the clustcr tool. For more information on clustcr tool, see `clustcr documentation `_. + +3. Use the epitope-specific PWMs to simulate epitope-specific TCRs using rejection sampling or signal implanting. + + + + +Inspecting the simulated TCRs +------------------------------ diff --git a/docs/_sources/usecases/usecase1.rst.txt b/docs/_sources/usecases/usecase1.rst.txt new file mode 100644 index 00000000..30d33769 --- /dev/null +++ b/docs/_sources/usecases/usecase1.rst.txt @@ -0,0 +1,322 @@ +Manuscript use case 1: Out-of-distribution receptor-level simulation using LIgO +============================================================ + +The composition of train and test data can impact the quality and accuracy of AIRR-ML models. In our use case, we showed how splitting the train and test data may decrease predictive performance in out-of-distribution cases. With LIgO, we simulated a scenario where an immune signal is defined as one motif, but each individual carries a slightly different modification of this motif. + +We trained and evaluated a logistic regression model (LR) for receptor-level classification using two different train-test strategies. The first strategy involved a random split of all AIRs from all individuals into train and test sets, while the second strategy used a leave-one-individual-out approach, placing all AIRs from one individual into the test set and AIRs from the other individuals into the training set. Our findings revealed that LR trained on the random train-test strategy achieved higher balanced accuracy compared to LR trained on the leave-one-individual-out approach. + +In this tutorial, we give an example of a simulation configuration for a single dataset, along with detailed explanations of the parameters in the comments as needed. A detailed description of use case 1 can be found in the LIgO manuscript. + +Simulation configuration +------------------------ + +In this use case, we considered the immune signal as a motif AA-A with four variations — AAAA, AANA, AACA, and AAGA reflecting AIRs from four different individuals. + +Specifically, the configuration below describes the simulation of a dataset consisting of: + +- AIRR1: 5000 IGHs containing AAAA + 5000 IGHs without any of the four signal 4-mers; + +- AIRR2: 5000 IGHs containing AACA + 5000 IGHs without any of the four signal 4-mers; + +- AIRR3: 5000 IGHs containing AAGA + 5000 IGHs without any of the four signal 4-mers; + +- AIRR4: 5000 IGHs containing AANA + 5000 IGHs without any of the four signal 4-mers. + +.. image:: ../_static/figures/usecase1_signals.png + :width: 500 + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: AAAA + motif2: + seed: AACA + motif3: + seed: AAGA + motif4: + seed: AANA + signals: + signal1: + motifs: + - motif1 + signal2: + motifs: + - motif2 + signal3: + motifs: + - motif3 + signal4: + motifs: + - motif4 + simulations: + sim1: + is_repertoire: true + paired: false + sequence_type: amino_acid + simulation_strategy: Implanting # use implanting for simulation signal-specific AIRs + remove_seqs_with_signals: true # remove all 4 signals from the background receptors + keep_p_gen_dist: false + sim_items: + airr1: # repertoire for individual 1 + generative_model: + default_model_name: humanIGH + model_path: null + type: OLGA + is_noise: false + number_of_examples: 1 # for demonstration purposes we simulate airr1 1 time + receptors_in_repertoire_count: 10000 # each AIRR containing 10000 receptors + signals: + signal1: 0.5 # 50% of receptors (5000) should contain signal1 (AAAA) + airr2: # repertoire for individual 2 + generative_model: + default_model_name: humanIGH + model_path: null + type: OLGA + is_noise: false + number_of_examples: 1 # for demonstration purposes we simulate airr2 1 time + receptors_in_repertoire_count: 10000 # each AIRR containing 10000 receptors + signals: + signal2: 0.5 # 50% of receptors (5000) should contain signal2 (AACA) + airr3: # repertoire for individual 3 + generative_model: + default_model_name: humanIGH + model_path: null + type: OLGA + is_noise: false + number_of_examples: 1 # for demonstration purposes we simulate airr3 1 time + receptors_in_repertoire_count: 10000 # each AIRR containing 10000 receptors + signals: + signal3: 0.5 # 50% of receptors (5000) should contain signal3 (AAGA) + airr4: # repertoire for individual 4 + generative_model: + default_model_name: humanIGH + model_path: null + type: OLGA + is_noise: false + number_of_examples: 1 # for demonstration purposes we simulate airr4 1 time + receptors_in_repertoire_count: 10000 # each AIRR containing 10000 receptors + signals: + signal4: 0.5 # 50% of receptors (5000) should contain signal4 (AANA) + instructions: + inst1: + export_p_gens: false # we don't need pgens for this use case + max_iterations: 10000 + number_of_processes: 32 + sequence_batch_size: 100000 + simulation: sim1 + type: LigoSim + output: + format: HTML + + + +Data preprocessing +----------------- + +Before applying Logistic regression we additionally preprocessed the LIgO-simulated data the following way: + +- We merged AIRR1, AIRR2, AIRR3, and AIRR4 into one dataset (merged.tsv) + +- We added two additional columns — **individual** and **signal_label**. The **individual** column indicates the corresponding individual for each AIR. The **individual** column contains values 0 and 1, where 1 represents that an AIR contains any of the signal motifs and 0 otherwise. + +Here is an example of a python script which can do the preprocessing described above + +.. code-block:: python + + import pandas as pd + import os + + data_path = "path_to_simulated_dataset/inst1/exported_dataset/airr" # path to the LIgO output + metadata = pd.read_csv(os.path.join(data_path, "metadata.csv")) + merged = pd.DataFrame() + + for i in range(4): + filename = metadata.loc[i, "filename"] + df = pd.read_csv(os.path.join(data_path, "repertoires", filename), sep='\t') + df['individual'] = metadata.loc[i, "sim_item"] + df['signal_label'] = df['signal1'] + df['signal2'] + df['signal3'] + df['signal4'] + merged = pd.concat([merged, df], ignore_index=True) + + # write the result in the merged_airrs.tsv + merged.to_csv(os.path.join(data_path, "merged_airrs.tsv"), sep='\t', index=False) + + +ML configuration +-------------------------- + +We used a logistic regression (LR) model to classify AIRs into signal-specific or non-specific. The LR was trained and tested using two train-test split approaches — (i) random train-test split and (ii) leave-one individual out train-test split, see the illustration below. You can find more details about our usage of LR in the LIgO manuscript. + + +.. image:: ../_static/figures/usecase1_splits.png + :width: 800 + +The L1-regularized logistic regression on k-mer encoded data is trained used ImmuneML. The configuration for the ML model is shown below (as an example for one dataset). The parameters specification of ImmuneML are extensively documented in the `ImmuneML documentation `_. + +**Random train-test split strategy** + +.. code-block:: yaml + + definitions: + datasets: + d1: + format: AIRR + params: + path: merged_airrs.tsv + is_repertoire: false + import_out_of_frame: True + metadata_column_mapping: + class: signal_label + encodings: + 4mer: + KmerFrequency: + k: 4 + sequence_type: AMINO_ACID + sequence_encoding: continuous_kmer # split sequence into overlapping k-mers + scale_to_unit_variance: True # scale the normalized examples to have unit variance + scale_to_zero_mean: False + ml_methods: + LR: + LogisticRegression: + penalty: l1 + C: [0.1,0.05,0.01,0.001] + reports: + coefs: + Coefficients: + coefs_to_plot: + - n_largest + n_largest: + - 25 + name: coefs + instructions: + inst1: + dataset: d1 + labels: + - signal_label + assessment: + reports: + models: + - coefs + split_count: 4 + split_strategy: stratified_k_fold + selection: + split_count: 4 + split_strategy: stratified_k_fold + metrics: [balanced_accuracy, precision, recall] + optimization_metric: balanced_accuracy + settings: + - encoding: 4mer + ml_method: LR + refit_optimal_model: false + number_of_processes: 32 + strategy: GridSearch + type: TrainMLModel + output: + format: HTML + +**Leave-one individual out train-test split strategy** + +.. code-block:: yaml + + definitions: + datasets: + d1: + format: AIRR + params: + path: merged_airrs.tsv + is_repertoire: false + import_out_of_frame: True + metadata_column_mapping: + signal_label: signal_label + individual: individual + encodings: + 4mer: + KmerFrequency: + k: 4 + sequence_type: AMINO_ACID + sequence_encoding: continuous_kmer # split sequence into overlapping k-mers + scale_to_unit_variance: True # scale the normalized examples to have unit variance + scale_to_zero_mean: False + ml_methods: + LR: + LogisticRegression: + penalty: l1 + C: [0.1,0.05,0.01,0.001] + reports: + coefs: + Coefficients: + coefs_to_plot: + - n_largest + n_largest: + - 25 + name: coefs + instructions: + inst1: + dataset: d1 + labels: + - signal_label + assessment: + reports: + models: + - coefs + split_count: 4 + split_strategy: leave_one_out_stratification + leave_one_out_config: # perform leave-(subject)-out CV + parameter: individual + min_count: 1 + selection: + split_count: 3 + split_strategy: leave_one_out_stratification + leave_one_out_config: # perform leave-(subject)-out CV + parameter: individual + min_count: 1 + metrics: [balanced_accuracy, precision, recall] + optimization_metric: balanced_accuracy + settings: + - encoding: 4mer + ml_method: LR + refit_optimal_model: false + number_of_processes: 32 + strategy: GridSearch + type: TrainMLModel + output: + format: HTML + + + +Results and ways to increase simulation complexity if required +----------------- + + +The logistic regressions trained on the random train-test split achieved higher accuracy with a median balanced accuracy of 0.98, and its largest coefficients corresponded to the four signal 4-mers. However, the logistic regression trained on the leave-one individual out train-test split demonstrated lower performance with a median balanced accuracy of 0.67. This shows that while perfect prediction accuracy may be observed with a random split approach, prediction accuracy may appear more limited based on a leave-one-individual-out split strategy. + +Since this use case only illustrates the utilization of LIgO for benchmarking and developing AIRR-ML methods, the simulation performed here is very basic. For simplicity, we assumed that each individual contains only one specific 4-mer and any other signal-specific AIRs are removed from the background. To create a more complex simulation, one can utilize the following LIgO options: + +- Do not exclude signal-specific receptors from the background. For example, all AIRs containing AAAA, AAGA, AANA, and AACA should be present in the background of 5000 AIRs for each individual with their natural occurrence. To achieve this, set remove_seqs_with_signals to false. + +.. code-block:: yaml + + remove_seqs_with_signals: true # keep all signal-specific AIRs in the background receptors + + +- Explicitly add AIRs containing other signal-specific 4-mers. For example, if an individual carries the signal AAAA, we can also include AIRs containing AAGA, AANA, and AACA to their repertoire. The yaml below demonstrates how to incorporate 1% of these extra signal-specific AIRs for individual 1. + +.. code-block:: yaml + + airr1: # repertoire for individual 1 + generative_model: + default_model_name: humanIGH + model_path: null + type: OLGA + is_noise: false + number_of_examples: 1 # for demonstration purposes we simulate airr1 1 time + receptors_in_repertoire_count: 10000 # each AIRR containing 10000 receptors + signals: + signal1: 0.5 # 50% of receptors (5000) should contain signal1 (AAAA) + signal2: 0.01 # 1% of receptors (5000) should contain signal1 (AACA) + signal3: 0.01 # 1% of receptors (5000) should contain signal1 (AAGA) + signal4: 0.01 # 1% of receptors (5000) should contain signal1 (AANA) + + + diff --git a/docs/_sources/usecases/usecase2.rst.txt b/docs/_sources/usecases/usecase2.rst.txt new file mode 100644 index 00000000..6fff55de --- /dev/null +++ b/docs/_sources/usecases/usecase2.rst.txt @@ -0,0 +1,165 @@ +Manuscript use case 2: Limitations of conventional encoding schemes for repertoire-level binary classification when immune signals co-occur within the same AIR +============================================================ + +Previous studies indicate k-mer encoding captures information necessary for classifying immune repertoires. However, since immune signals can include multiple motifs within a receptor, isolated k-mer treatment might in some cases be inadequate for representing different immune states. Using LIgO, we simulated datasets with such complex co-occurring immune signals. Machine Learning (ML) on these datasets highlighted the limitations of ML methods that overlooked motif co-occurrence. Particularly, the traditional k-mer encoding failed to distinguish between different immune states. + +In this use case, we demonstrate how LIgO can be used to encode complex immune signals and how such simulations can aid the development of suited ML models in classifying immune repertoires. The configuration specification for LIgO is shown below. More detailed use case 2 description can be found in the LIgO manuscript. + +Although we generated many datasets for gauging the uncertainty in the performance of ML models, we show the configuration only for one dataset for demonstration purposes. The comments in the configuration provide a detailed explanation of the parameters when needed. + +Simulation configuration +------------------------ + +In the configuration below, the motif1 (GDT) occurs at 1% frequency on average in the repertoires of both positive (AIRR1) and negative (AIRR2) classes. Similarly motif2 (SGL) also occurs at 1% frequency on average in the repertoires of both positive (AIRR1) and negative (AIRR2) classes. However, the positive class repertoires have a higher co-occurrence rate of motif1 and motif2 (`signal1__signal2`) compared to the negative class repertoires. The positive class repertoires have a co-occurrence rate of 0.1%, while the negative class repertoires have a co-occurrence rate of 0.01%. + +.. image:: ../_static/figures/usecase2_signals.png + :width: 800 + +.. code-block:: yaml + + definitions: + motifs: + motif1: + seed: GDT # motif-1 + motif2: + seed: SGL # motif-2 + signals: + signal1: + motifs: + - motif1 + signal2: + motifs: + - motif2 + simulations: + sim1: + is_repertoire: true # indicating that we are simulating repertoires + paired: false # indicating that we are not simulating paired repertoires + sequence_type: amino_acid + simulation_strategy: RejectionSampling # we are using rejection sampling to obtain sequences that contain motifs + sim_items: + AIRR1: # positive class of repertoires generated using the following generative model + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + is_noise: false + number_of_examples: 100 # number of repertoires to be generated + receptors_in_repertoire_count: 100000 # number of receptors in each repertoire + signals: + signal1__signal2: 0.001 # signal1 and signal2 co-occur in the same receptor at this witness rate + signal1: 0.009 # signal1 occurs in isolation in the repertoires at this witness rate + signal2: 0.009 # signal2 occurs in isolation in the repertoires at this witness rate + AIRR2: # negative class of repertoires generated using the following generative model + generative_model: + chain: beta + default_model_name: humanTRB + model_path: null + type: OLGA + is_noise: true # indicating that these repertoires receive signal at some lower witness rate and thus are not representative of the positive class + number_of_examples: 100 # number of repertoires to be generated + receptors_in_repertoire_count: 100000 # number of receptors in each repertoire + signals: + signal1__signal2: 0.0001 # signal1 and signal2 co-occur in the same receptor at this witness rate + signal1: 0.0099 # signal1 occurs in isolation in the repertoires at this witness rate + signal2: 0.0099 # signal2 occurs in isolation in the repertoires at this witness rate + instructions: + inst1: + export_p_gens: false # could take some time to compute (from olga) + max_iterations: 10000 # maximum number of iterations for the rejection sampling, where in each iteration `sequence_batch_size` sequences are generated and searched for signal sequences + number_of_processes: 32 # number of processes to be used for parallelization + sequence_batch_size: 100000 # number of sequences to be generated in each iteration + simulation: sim1 + store_signal_in_receptors: true + type: LigoSim + output: + format: HTML + +ML configuration +----------------- + +The L1-penalized logistic regression model on k-mer encoded data is trained used ImmuneML. The configuration for the ML model is shown below (as an example for one dataset). The parameters specification of ImmuneML are extensively documented in the `ImmuneML documentation `_. + +.. image:: ../_static/figures/usecase2_LR.png + :width: 600 + +.. code-block:: yaml + + definitions: + datasets: + cooccurring_motifs_dataset: + format: AIRR + params: + path: path_to/exported_dataset/airr/repertoires + metadata_file: path_to/exported_dataset/airr/repertoires/metadata.csv + encodings: + feature_size_3: + KmerFrequency: + k: 3 + scale_to_unit_variance: True + scale_to_zero_mean: True + ml_methods: + logistic_regression: + LogisticRegression: + penalty: l1 + C: [0.1,0.05,0.01,0.001] + max_iter: 500 + model_selection_cv: True + model_selection_n_folds: 5 + reports: + my_hp_benchmark: MLSettingsPerformance + my_coef_report: + Coefficients: + coefs_to_plot: + - n_largest + n_largest: [15] + my_motif_report: + MotifSeedRecovery: + implanted_motifs_per_label: + signal_cancer: + seeds: [GDT, SGL] + hamming_distance: False + gap_sizes: [0] + instructions: + hpoptim_instr: + assessment: + reports: + models: [my_coef_report, my_motif_report] + split_count: 5 + split_strategy: k_fold + training_percentage: 0.7 + number_of_processes: 32 + dataset: cooccurring_motifs_dataset + labels: + - sim_item + metrics: + - auc + - recall + optimization_metric: balanced_accuracy + reports: [my_hp_benchmark] + selection: + split_count: 1 + split_strategy: random + training_percentage: 1.0 + settings: + - encoding: feature_size_3 + ml_method: logistic_regression + strategy: GridSearch + type: TrainMLModel + refit_optimal_model: False + +The custom multiple instance learning (MIL) model `implemented here `_ as a command-line tool is trained with the following configuration: + +.. image:: ../_static/figures/usecase2_MIL.png + :width: 600 + +.. code-block:: yaml + + concatenated_receptors_file: path_to/exported_dataset/airr/concatenated_flat_receptor_file.tsv + label_field: "epitope" + k: 3 + num_processes: 50 + group_field: "repertoire_id" + n_splits: 5 + pval_threshold: 0.001 + output_path: path/to/output/ diff --git a/docs/_static/basic.css b/docs/_static/basic.css new file mode 100644 index 00000000..7ebbd6d0 --- /dev/null +++ b/docs/_static/basic.css @@ -0,0 +1,914 @@ +/* + * Sphinx stylesheet -- basic theme. + */ + +/* -- main layout ----------------------------------------------------------- */ + +div.clearer { + clear: both; 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+ margin-right: auto; +} + +table.contentstable p.biglink { + line-height: 150%; +} + +a.biglink { + font-size: 1.3em; +} + +span.linkdescr { + font-style: italic; + padding-top: 5px; + font-size: 90%; +} + +/* -- general index --------------------------------------------------------- */ + +table.indextable { + width: 100%; +} + +table.indextable td { + text-align: left; + vertical-align: top; +} + +table.indextable ul { + margin-top: 0; + margin-bottom: 0; + list-style-type: none; +} + +table.indextable > tbody > tr > td > ul { + padding-left: 0em; +} + +table.indextable tr.pcap { + height: 10px; +} + +table.indextable tr.cap { + margin-top: 10px; + background-color: #f2f2f2; +} + +img.toggler { + margin-right: 3px; + margin-top: 3px; + cursor: pointer; +} + +div.modindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +div.genindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +/* -- domain module index --------------------------------------------------- */ + +table.modindextable td { + padding: 2px; + border-collapse: collapse; +} + +/* -- general body styles --------------------------------------------------- */ + +div.body { + min-width: 360px; + max-width: 800px; +} + +div.body p, div.body dd, div.body li, div.body blockquote { + -moz-hyphens: auto; + -ms-hyphens: auto; + -webkit-hyphens: auto; + hyphens: auto; +} + +a.headerlink { + visibility: hidden; +} + +a:visited { + color: #551A8B; +} + +h1:hover > a.headerlink, +h2:hover > a.headerlink, +h3:hover > a.headerlink, +h4:hover > a.headerlink, +h5:hover > a.headerlink, +h6:hover > a.headerlink, +dt:hover > a.headerlink, +caption:hover > a.headerlink, +p.caption:hover > a.headerlink, +div.code-block-caption:hover > a.headerlink { + visibility: visible; +} + +div.body p.caption { + text-align: inherit; +} + +div.body td { + text-align: left; +} + +.first { + margin-top: 0 !important; +} + +p.rubric { + margin-top: 30px; + font-weight: bold; +} + +img.align-left, figure.align-left, .figure.align-left, object.align-left { + clear: left; + float: left; + margin-right: 1em; +} + +img.align-right, figure.align-right, .figure.align-right, object.align-right { + clear: right; + float: right; + margin-left: 1em; +} + +img.align-center, figure.align-center, .figure.align-center, object.align-center { + display: block; + margin-left: auto; + margin-right: auto; +} + +img.align-default, figure.align-default, .figure.align-default { + display: block; + margin-left: auto; + margin-right: auto; +} + +.align-left { + text-align: left; +} + +.align-center { + text-align: center; +} + +.align-default { + text-align: center; +} + +.align-right { + text-align: right; +} + +/* -- sidebars -------------------------------------------------------------- */ + +div.sidebar, +aside.sidebar { + margin: 0 0 0.5em 1em; + border: 1px solid #ddb; + padding: 7px; + background-color: #ffe; + width: 40%; + float: right; + clear: right; + overflow-x: auto; +} + +p.sidebar-title { + font-weight: bold; +} + +nav.contents, +aside.topic, +div.admonition, div.topic, blockquote { + clear: left; +} + +/* -- topics ---------------------------------------------------------------- */ + +nav.contents, +aside.topic, +div.topic { + border: 1px solid #ccc; + padding: 7px; + margin: 10px 0 10px 0; +} + +p.topic-title { + font-size: 1.1em; + font-weight: bold; + margin-top: 10px; +} + +/* -- admonitions ----------------------------------------------------------- */ + +div.admonition { + margin-top: 10px; + margin-bottom: 10px; + padding: 7px; +} + +div.admonition dt { + font-weight: bold; +} + +p.admonition-title { + margin: 0px 10px 5px 0px; + font-weight: bold; +} + +div.body p.centered { + text-align: center; + margin-top: 25px; +} + +/* -- content of sidebars/topics/admonitions -------------------------------- */ + +div.sidebar > :last-child, +aside.sidebar > :last-child, +nav.contents > :last-child, +aside.topic > :last-child, +div.topic > :last-child, +div.admonition > :last-child { + margin-bottom: 0; +} + +div.sidebar::after, +aside.sidebar::after, +nav.contents::after, +aside.topic::after, +div.topic::after, +div.admonition::after, +blockquote::after { + display: block; + content: ''; + clear: both; +} + +/* -- tables ---------------------------------------------------------------- */ + +table.docutils { + margin-top: 10px; + margin-bottom: 10px; + border: 0; + border-collapse: collapse; +} + +table.align-center { + margin-left: auto; + margin-right: auto; +} + +table.align-default { + margin-left: auto; + margin-right: auto; +} + +table caption span.caption-number { + font-style: italic; +} + +table caption span.caption-text { +} + +table.docutils td, table.docutils th { + padding: 1px 8px 1px 5px; + border-top: 0; + border-left: 0; + border-right: 0; + border-bottom: 1px solid #aaa; +} + +th { + text-align: left; + padding-right: 5px; +} + +table.citation { + border-left: solid 1px gray; + margin-left: 1px; +} + +table.citation td { + border-bottom: none; +} + +th > :first-child, +td > :first-child { + margin-top: 0px; +} + +th > :last-child, +td > :last-child { + margin-bottom: 0px; +} + +/* -- figures --------------------------------------------------------------- */ + +div.figure, figure { + margin: 0.5em; + padding: 0.5em; +} + +div.figure p.caption, figcaption { + padding: 0.3em; +} + +div.figure p.caption span.caption-number, +figcaption span.caption-number { + font-style: italic; +} + +div.figure p.caption span.caption-text, +figcaption span.caption-text { +} + +/* -- field list styles ----------------------------------------------------- */ + +table.field-list td, table.field-list th { + border: 0 !important; +} + +.field-list ul { + margin: 0; + padding-left: 1em; +} + +.field-list p { + margin: 0; +} + +.field-name { + -moz-hyphens: manual; + -ms-hyphens: manual; + -webkit-hyphens: manual; + hyphens: manual; +} + +/* -- hlist styles ---------------------------------------------------------- */ + +table.hlist { + margin: 1em 0; +} + +table.hlist td { + vertical-align: top; +} + +/* -- object description styles --------------------------------------------- */ + +.sig { + font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace; +} + +.sig-name, code.descname { + background-color: transparent; + font-weight: bold; +} + +.sig-name { + font-size: 1.1em; +} + +code.descname { + font-size: 1.2em; +} + +.sig-prename, code.descclassname { + background-color: transparent; +} + +.optional { + font-size: 1.3em; +} + +.sig-paren { + font-size: larger; +} + +.sig-param.n { + font-style: italic; +} + +/* C++ specific styling */ + +.sig-inline.c-texpr, +.sig-inline.cpp-texpr { + font-family: unset; +} + +.sig.c .k, .sig.c .kt, +.sig.cpp .k, .sig.cpp .kt { + color: #0033B3; +} + +.sig.c .m, +.sig.cpp .m { + color: #1750EB; +} + +.sig.c .s, .sig.c .sc, +.sig.cpp .s, .sig.cpp .sc { + color: #067D17; +} + + +/* -- other body styles ----------------------------------------------------- */ + +ol.arabic { + list-style: decimal; +} + +ol.loweralpha { + list-style: lower-alpha; +} + +ol.upperalpha { + list-style: upper-alpha; +} + +ol.lowerroman { + list-style: lower-roman; +} + +ol.upperroman { + list-style: upper-roman; +} + +:not(li) > ol > li:first-child > :first-child, +:not(li) > ul > li:first-child > :first-child { + margin-top: 0px; +} + +:not(li) > ol > li:last-child > :last-child, +:not(li) > ul > li:last-child > :last-child { + margin-bottom: 0px; +} + +ol.simple ol p, +ol.simple ul p, +ul.simple ol p, +ul.simple ul p { + margin-top: 0; +} + +ol.simple > li:not(:first-child) > p, +ul.simple > li:not(:first-child) > p { + margin-top: 0; +} + +ol.simple p, +ul.simple p { + margin-bottom: 0; +} + +aside.footnote > span, +div.citation > span { + float: left; +} +aside.footnote > span:last-of-type, +div.citation > span:last-of-type { + padding-right: 0.5em; +} +aside.footnote > p { + margin-left: 2em; +} +div.citation > p { + margin-left: 4em; +} +aside.footnote > p:last-of-type, +div.citation > p:last-of-type { + margin-bottom: 0em; +} +aside.footnote > p:last-of-type:after, +div.citation > p:last-of-type:after { + content: ""; + clear: both; +} + +dl.field-list { + display: grid; + grid-template-columns: fit-content(30%) auto; +} + +dl.field-list > dt { + font-weight: bold; + word-break: break-word; + padding-left: 0.5em; + padding-right: 5px; +} + +dl.field-list > dd { + padding-left: 0.5em; + margin-top: 0em; + margin-left: 0em; + margin-bottom: 0em; +} + +dl { + margin-bottom: 15px; +} + +dd > :first-child { + margin-top: 0px; +} + +dd ul, dd table { + margin-bottom: 10px; +} + +dd { + margin-top: 3px; + margin-bottom: 10px; + margin-left: 30px; +} + +.sig dd { + margin-top: 0px; + margin-bottom: 0px; +} + +.sig dl { + margin-top: 0px; + margin-bottom: 0px; +} + +dl > dd:last-child, +dl > dd:last-child > :last-child { + margin-bottom: 0; +} + +dt:target, span.highlighted { + background-color: #fbe54e; +} + +rect.highlighted { + fill: #fbe54e; +} + +dl.glossary dt { + font-weight: bold; + font-size: 1.1em; +} + +.versionmodified { + font-style: italic; +} + +.system-message { + background-color: #fda; + padding: 5px; + border: 3px solid red; +} + +.footnote:target { + background-color: #ffa; +} + +.line-block { + display: block; + margin-top: 1em; + margin-bottom: 1em; +} + +.line-block .line-block { + margin-top: 0; + margin-bottom: 0; + margin-left: 1.5em; +} + +.guilabel, .menuselection { + font-family: sans-serif; +} + +.accelerator { + text-decoration: underline; +} + +.classifier { + font-style: oblique; +} + +.classifier:before { + font-style: normal; + margin: 0 0.5em; + content: ":"; + display: inline-block; +} + +abbr, acronym { + border-bottom: dotted 1px; + cursor: help; +} + +.translated { + background-color: rgba(207, 255, 207, 0.2) +} + +.untranslated { + background-color: rgba(255, 207, 207, 0.2) +} + +/* -- code displays --------------------------------------------------------- */ + +pre { + overflow: auto; + overflow-y: hidden; /* fixes display issues on Chrome browsers */ +} + +pre, div[class*="highlight-"] { + clear: both; +} + +span.pre { + -moz-hyphens: none; + -ms-hyphens: none; + -webkit-hyphens: none; + hyphens: none; + white-space: nowrap; +} + +div[class*="highlight-"] { + margin: 1em 0; +} + +td.linenos pre { + border: 0; + background-color: transparent; + color: #aaa; +} + +table.highlighttable { + display: block; +} + +table.highlighttable tbody { + display: block; +} + +table.highlighttable tr { + display: flex; +} + +table.highlighttable td { + margin: 0; + padding: 0; +} + +table.highlighttable td.linenos { + padding-right: 0.5em; +} + +table.highlighttable td.code { + flex: 1; + overflow: hidden; +} + +.highlight .hll { + display: block; +} + +div.highlight pre, +table.highlighttable pre { + margin: 0; +} + +div.code-block-caption + div { + margin-top: 0; +} + +div.code-block-caption { + margin-top: 1em; + padding: 2px 5px; + font-size: small; +} + +div.code-block-caption code { + background-color: transparent; +} + +table.highlighttable td.linenos, +span.linenos, +div.highlight span.gp { /* gp: Generic.Prompt */ + user-select: none; + -webkit-user-select: text; /* Safari fallback only */ + -webkit-user-select: none; /* Chrome/Safari */ + -moz-user-select: none; /* Firefox */ + -ms-user-select: none; /* IE10+ */ +} + +div.code-block-caption span.caption-number { + padding: 0.1em 0.3em; + font-style: italic; +} + +div.code-block-caption span.caption-text { +} + +div.literal-block-wrapper { + margin: 1em 0; +} + +code.xref, a code { + background-color: transparent; + font-weight: bold; +} + +h1 code, h2 code, h3 code, h4 code, h5 code, h6 code { + background-color: transparent; +} + +.viewcode-link { + float: right; +} + +.viewcode-back { + float: right; + font-family: sans-serif; +} + +div.viewcode-block:target { + margin: -1px -10px; + padding: 0 10px; +} + +/* -- math display ---------------------------------------------------------- */ + +img.math { + vertical-align: middle; +} + +div.body div.math p { + text-align: center; +} + +span.eqno { + float: right; +} + +span.eqno a.headerlink { + position: absolute; + z-index: 1; +} + +div.math:hover a.headerlink { + visibility: visible; +} + +/* -- printout stylesheet --------------------------------------------------- */ + +@media print { + div.document, + div.documentwrapper, + div.bodywrapper { + margin: 0 !important; + width: 100%; + } + + div.sphinxsidebar, + div.related, + div.footer, + #top-link { + display: none; + } +} \ No newline at end of file diff --git a/docs/_static/css/immuneml.css b/docs/_static/css/immuneml.css new file mode 100644 index 00000000..9f1a343f --- /dev/null +++ b/docs/_static/css/immuneml.css @@ -0,0 +1,22 @@ +.wy-nav-content{ + max-width: 1200px; +} + +.wy-table-responsive table td { + white-space: normal; +} + +.wy-nav-content-wrap, .wy-grid-for-nav { + background-color: white; +} + +@media screen and (min-width: 1100px) { + .wy-nav-content{ + background-color: white; + } + +} + +iframe { + margin-bottom: 30px; +} \ No newline at end of file diff --git a/docs/_static/debug.css b/docs/_static/debug.css new file mode 100644 index 00000000..74d4aec3 --- /dev/null +++ b/docs/_static/debug.css @@ -0,0 +1,69 @@ +/* + This CSS file should be overridden by the theme authors. It's + meant for debugging and developing the skeleton that this theme provides. +*/ +body { + font-family: -apple-system, "Segoe UI", Roboto, Helvetica, Arial, sans-serif, + "Apple Color Emoji", "Segoe UI Emoji"; + background: lavender; +} +.sb-announcement { + background: rgb(131, 131, 131); +} +.sb-announcement__inner { + background: black; + color: white; +} +.sb-header { + background: lightskyblue; +} +.sb-header__inner { + background: royalblue; + color: white; +} +.sb-header-secondary { + background: lightcyan; +} +.sb-header-secondary__inner { + background: cornflowerblue; + color: white; +} +.sb-sidebar-primary { + background: lightgreen; +} +.sb-main { + background: blanchedalmond; +} +.sb-main__inner { + background: antiquewhite; +} +.sb-header-article { + background: lightsteelblue; +} +.sb-article-container { + background: snow; +} +.sb-article-main { + background: white; +} +.sb-footer-article { + background: lightpink; +} +.sb-sidebar-secondary { + background: lightgoldenrodyellow; +} +.sb-footer-content { + background: plum; +} +.sb-footer-content__inner { + background: palevioletred; +} +.sb-footer { + background: pink; +} +.sb-footer__inner { + background: salmon; +} +.sb-article { + background: white; +} diff --git a/docs/_static/doctools.js b/docs/_static/doctools.js new file mode 100644 index 00000000..0398ebb9 --- /dev/null +++ b/docs/_static/doctools.js @@ -0,0 +1,149 @@ +/* + * Base JavaScript utilities for all Sphinx HTML documentation. + */ +"use strict"; + +const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([ + "TEXTAREA", + "INPUT", + "SELECT", + "BUTTON", +]); + +const _ready = (callback) => { + if (document.readyState !== "loading") { + callback(); + } else { + document.addEventListener("DOMContentLoaded", callback); + } +}; + +/** + * Small JavaScript module for the documentation. + */ +const Documentation = { + init: () => { + Documentation.initDomainIndexTable(); + Documentation.initOnKeyListeners(); + }, + + /** + * i18n support + */ + TRANSLATIONS: {}, + PLURAL_EXPR: (n) => (n === 1 ? 0 : 1), + LOCALE: "unknown", + + // gettext and ngettext don't access this so that the functions + // can safely bound to a different name (_ = Documentation.gettext) + gettext: (string) => { + const translated = Documentation.TRANSLATIONS[string]; + switch (typeof translated) { + case "undefined": + return string; // no translation + case "string": + return translated; // translation exists + default: + return translated[0]; // (singular, plural) translation tuple exists + } + }, + + ngettext: (singular, plural, n) => { + const translated = Documentation.TRANSLATIONS[singular]; + if (typeof translated !== "undefined") + return translated[Documentation.PLURAL_EXPR(n)]; + return n === 1 ? singular : plural; + }, + + addTranslations: (catalog) => { + Object.assign(Documentation.TRANSLATIONS, catalog.messages); + Documentation.PLURAL_EXPR = new Function( + "n", + `return (${catalog.plural_expr})` + ); + Documentation.LOCALE = catalog.locale; + }, + + /** + * helper function to focus on search bar + */ + focusSearchBar: () => { + document.querySelectorAll("input[name=q]")[0]?.focus(); + }, + + /** + * Initialise the domain index toggle buttons + */ + initDomainIndexTable: () => { + const toggler = (el) => { + const idNumber = el.id.substr(7); + const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`); + if (el.src.substr(-9) === "minus.png") { + el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`; + toggledRows.forEach((el) => (el.style.display = "none")); + } else { + el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`; + toggledRows.forEach((el) => (el.style.display = "")); + } + }; + + const togglerElements = document.querySelectorAll("img.toggler"); + togglerElements.forEach((el) => + el.addEventListener("click", (event) => toggler(event.currentTarget)) + ); + togglerElements.forEach((el) => (el.style.display = "")); + if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler); + }, + + initOnKeyListeners: () => { + // only install a listener if it is really needed + if ( + !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS && + !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS + ) + return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; + // bail with special keys + if (event.altKey || event.ctrlKey || event.metaKey) return; + + if (!event.shiftKey) { + switch (event.key) { + case "ArrowLeft": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const prevLink = document.querySelector('link[rel="prev"]'); + if (prevLink && prevLink.href) { + window.location.href = prevLink.href; + event.preventDefault(); + } + break; + case "ArrowRight": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const nextLink = document.querySelector('link[rel="next"]'); + if (nextLink && nextLink.href) { + 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ational: 'ate', + tional: 'tion', + enci: 'ence', + anci: 'ance', + izer: 'ize', + bli: 'ble', + alli: 'al', + entli: 'ent', + eli: 'e', + ousli: 'ous', + ization: 'ize', + ation: 'ate', + ator: 'ate', + alism: 'al', + iveness: 'ive', + fulness: 'ful', + ousness: 'ous', + aliti: 'al', + iviti: 'ive', + biliti: 'ble', + logi: 'log' + }; + + var step3list = { + icate: 'ic', + ative: '', + alize: 'al', + iciti: 'ic', + ical: 'ic', + ful: '', + ness: '' + }; + + var c = "[^aeiou]"; // consonant + var v = "[aeiouy]"; // vowel + var C = c + "[^aeiouy]*"; // consonant sequence + var V = v + "[aeiou]*"; // vowel sequence + + var mgr0 = "^(" + C + ")?" + V + C; // [C]VC... is m>0 + var meq1 = "^(" + C + ")?" + V + C + "(" + V + ")?$"; // [C]VC[V] is m=1 + var mgr1 = "^(" + C + ")?" + V + C + V + C; // [C]VCVC... is m>1 + var s_v = "^(" + C + ")?" + v; // vowel in stem + + this.stemWord = function (w) { + var stem; + var suffix; + var firstch; + var origword = w; + + if (w.length < 3) + return w; + + var re; + var re2; + var re3; + var re4; + + firstch = w.substr(0,1); + if (firstch == "y") + w = firstch.toUpperCase() + w.substr(1); + + // Step 1a + re = /^(.+?)(ss|i)es$/; + re2 = /^(.+?)([^s])s$/; + + if (re.test(w)) + w = w.replace(re,"$1$2"); + else if (re2.test(w)) + w = w.replace(re2,"$1$2"); + + // Step 1b + re = /^(.+?)eed$/; + re2 = /^(.+?)(ed|ing)$/; + if (re.test(w)) { + var fp = re.exec(w); + re = new RegExp(mgr0); + if (re.test(fp[1])) { + re = /.$/; + w = w.replace(re,""); + } + } + else if (re2.test(w)) { + var fp = re2.exec(w); + stem = fp[1]; + re2 = new RegExp(s_v); + if (re2.test(stem)) { + w = stem; + re2 = /(at|bl|iz)$/; + re3 = new RegExp("([^aeiouylsz])\\1$"); + re4 = new RegExp("^" + C + v + "[^aeiouwxy]$"); + if (re2.test(w)) + w = w + "e"; + else if (re3.test(w)) { + re = /.$/; + w = w.replace(re,""); + } + else if (re4.test(w)) + w = w + "e"; + } + } + + // Step 1c + re = /^(.+?)y$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(s_v); + if (re.test(stem)) + w = stem + "i"; + } + + // Step 2 + re = /^(.+?)(ational|tional|enci|anci|izer|bli|alli|entli|eli|ousli|ization|ation|ator|alism|iveness|fulness|ousness|aliti|iviti|biliti|logi)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + suffix = fp[2]; + re = new RegExp(mgr0); + if (re.test(stem)) + w = stem + step2list[suffix]; + } + + // Step 3 + re = /^(.+?)(icate|ative|alize|iciti|ical|ful|ness)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + suffix = fp[2]; + re = new RegExp(mgr0); + if (re.test(stem)) + w = stem + step3list[suffix]; + } + + // Step 4 + re = /^(.+?)(al|ance|ence|er|ic|able|ible|ant|ement|ment|ent|ou|ism|ate|iti|ous|ive|ize)$/; + re2 = /^(.+?)(s|t)(ion)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(mgr1); + if (re.test(stem)) + w = stem; + } + else if (re2.test(w)) { + var fp = re2.exec(w); + stem = fp[1] + fp[2]; + re2 = new RegExp(mgr1); + if (re2.test(stem)) + w = 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content areas\n * @param {Object} settings The settings for this instantiation\n * @return {Object} The content area and matching navigation link\n */\n var getActive = function (contents, settings) {\n var last = contents[contents.length - 1];\n if (useLastItem(last, settings)) return last;\n for (var i = contents.length - 1; i >= 0; i--) {\n if (isInView(contents[i].content, settings)) return contents[i];\n }\n };\n\n /**\n * Deactivate parent navs in a nested navigation\n * @param {Node} nav The starting navigation element\n * @param {Object} settings The settings for this instantiation\n */\n var deactivateNested = function (nav, settings) {\n // If nesting isn't activated, bail\n if (!settings.nested || !nav.parentNode) return;\n\n // Get the parent navigation\n var li = nav.parentNode.closest(\"li\");\n if (!li) return;\n\n // Remove the active class\n li.classList.remove(settings.nestedClass);\n\n // Apply recursively to any parent navigation elements\n deactivateNested(li, settings);\n };\n\n /**\n * Deactivate a nav and content area\n * @param {Object} items The nav item and content to deactivate\n * @param {Object} settings The settings for this instantiation\n */\n var deactivate = function (items, settings) {\n // Make sure there are items to deactivate\n if (!items) return;\n\n // Get the parent list item\n var li = items.nav.closest(\"li\");\n if (!li) return;\n\n // Remove the active class from the nav and content\n li.classList.remove(settings.navClass);\n items.content.classList.remove(settings.contentClass);\n\n // Deactivate any parent navs in a nested navigation\n deactivateNested(li, settings);\n\n // Emit a custom event\n emitEvent(\"gumshoeDeactivate\", li, {\n link: items.nav,\n content: items.content,\n settings: settings,\n });\n };\n\n /**\n * Activate parent navs in a nested navigation\n * @param {Node} nav The starting navigation element\n * @param {Object} settings The settings for this instantiation\n */\n var activateNested = function (nav, settings) {\n // If nesting isn't activated, bail\n if (!settings.nested) return;\n\n // Get the parent navigation\n var li = nav.parentNode.closest(\"li\");\n if (!li) return;\n\n // Add the active class\n li.classList.add(settings.nestedClass);\n\n // Apply recursively to any parent navigation elements\n activateNested(li, settings);\n };\n\n /**\n * Activate a nav and content area\n * @param {Object} items The nav item and content to activate\n * @param {Object} settings The settings for this instantiation\n */\n var activate = function (items, settings) {\n // Make sure there are items to activate\n if (!items) return;\n\n // Get the parent list item\n var li = items.nav.closest(\"li\");\n if (!li) return;\n\n // Add the active class to the nav and content\n li.classList.add(settings.navClass);\n items.content.classList.add(settings.contentClass);\n\n // Activate any parent navs in a nested navigation\n activateNested(li, settings);\n\n // Emit a custom event\n emitEvent(\"gumshoeActivate\", li, {\n link: items.nav,\n content: items.content,\n settings: settings,\n });\n };\n\n /**\n * Create the Constructor object\n * @param {String} selector The selector to use for navigation items\n * @param {Object} options User options and settings\n */\n var Constructor = function (selector, options) {\n //\n // Variables\n //\n\n var publicAPIs = {};\n var navItems, contents, current, timeout, settings;\n\n //\n // Methods\n //\n\n /**\n * Set variables from DOM elements\n */\n publicAPIs.setup = function () {\n // Get all nav items\n navItems = document.querySelectorAll(selector);\n\n // Create contents array\n contents = [];\n\n // Loop through each item, get it's matching content, and push to the array\n Array.prototype.forEach.call(navItems, function (item) {\n // Get the content for the nav item\n var content = document.getElementById(\n decodeURIComponent(item.hash.substr(1)),\n );\n if (!content) return;\n\n // Push to the contents array\n contents.push({\n nav: item,\n content: content,\n });\n });\n\n // Sort contents by the order they appear in the DOM\n sortContents(contents);\n };\n\n /**\n * Detect which content is currently active\n */\n publicAPIs.detect = function () {\n // Get the active content\n var active = getActive(contents, settings);\n\n // if there's no active content, deactivate and bail\n if (!active) {\n if (current) {\n deactivate(current, settings);\n current = null;\n }\n return;\n }\n\n // If the active content is the one currently active, do nothing\n if (current && active.content === current.content) return;\n\n // Deactivate the current content and activate the new content\n deactivate(current, settings);\n activate(active, settings);\n\n // Update the currently active content\n current = active;\n };\n\n /**\n * Detect the active content on scroll\n * Debounced for performance\n */\n var scrollHandler = function (event) {\n // If there's a timer, cancel it\n if (timeout) {\n window.cancelAnimationFrame(timeout);\n }\n\n // Setup debounce callback\n timeout = window.requestAnimationFrame(publicAPIs.detect);\n };\n\n /**\n * Update content sorting on resize\n * Debounced for performance\n */\n var resizeHandler = function (event) {\n // If there's a timer, cancel it\n if (timeout) {\n window.cancelAnimationFrame(timeout);\n }\n\n // Setup debounce callback\n timeout = window.requestAnimationFrame(function () {\n sortContents(contents);\n publicAPIs.detect();\n });\n };\n\n /**\n * Destroy the current instantiation\n */\n publicAPIs.destroy = function () {\n // Undo DOM changes\n if (current) {\n deactivate(current, settings);\n }\n\n // Remove event listeners\n window.removeEventListener(\"scroll\", scrollHandler, false);\n if (settings.reflow) {\n window.removeEventListener(\"resize\", resizeHandler, false);\n }\n\n // Reset variables\n contents = null;\n navItems = null;\n current = null;\n timeout = null;\n settings = null;\n };\n\n /**\n * Initialize the current instantiation\n */\n var init = function () {\n // Merge user options into defaults\n settings = extend(defaults, options || {});\n\n // Setup variables based on the current DOM\n publicAPIs.setup();\n\n // Find the currently active content\n publicAPIs.detect();\n\n // Setup event listeners\n window.addEventListener(\"scroll\", scrollHandler, false);\n if (settings.reflow) {\n window.addEventListener(\"resize\", resizeHandler, false);\n }\n };\n\n //\n // Initialize and return the public APIs\n //\n\n init();\n return publicAPIs;\n };\n\n //\n // Return the Constructor\n //\n\n return Constructor;\n },\n);\n","// The module cache\nvar __webpack_module_cache__ = {};\n\n// The require function\nfunction __webpack_require__(moduleId) {\n\t// Check if module is in cache\n\tvar cachedModule = __webpack_module_cache__[moduleId];\n\tif (cachedModule !== undefined) {\n\t\treturn cachedModule.exports;\n\t}\n\t// Create a new module (and put it into the cache)\n\tvar module = __webpack_module_cache__[moduleId] = {\n\t\t// no module.id needed\n\t\t// no module.loaded needed\n\t\texports: {}\n\t};\n\n\t// Execute the module function\n\t__webpack_modules__[moduleId].call(module.exports, module, module.exports, __webpack_require__);\n\n\t// Return the exports of the module\n\treturn module.exports;\n}\n\n","// getDefaultExport function for compatibility with non-harmony modules\n__webpack_require__.n = (module) => {\n\tvar getter = module && module.__esModule ?\n\t\t() => (module['default']) :\n\t\t() => (module);\n\t__webpack_require__.d(getter, { a: getter });\n\treturn getter;\n};","// define getter functions for harmony exports\n__webpack_require__.d = (exports, definition) => {\n\tfor(var key in definition) {\n\t\tif(__webpack_require__.o(definition, key) && !__webpack_require__.o(exports, key)) {\n\t\t\tObject.defineProperty(exports, key, { enumerable: true, get: definition[key] });\n\t\t}\n\t}\n};","__webpack_require__.g = (function() {\n\tif (typeof globalThis === 'object') return globalThis;\n\ttry {\n\t\treturn this || new Function('return this')();\n\t} catch (e) {\n\t\tif (typeof window === 'object') return window;\n\t}\n})();","__webpack_require__.o = (obj, prop) => (Object.prototype.hasOwnProperty.call(obj, prop))","import Gumshoe from \"./gumshoe-patched.js\";\n\n////////////////////////////////////////////////////////////////////////////////\n// Scroll Handling\n////////////////////////////////////////////////////////////////////////////////\nvar tocScroll = null;\nvar header = null;\nvar lastScrollTop = document.documentElement.scrollTop;\nconst GO_TO_TOP_OFFSET = 64;\n\nfunction scrollHandlerForHeader(positionY) {\n const headerTop = Math.floor(header.getBoundingClientRect().top);\n\n console.log(`headerTop: ${headerTop}`);\n if (headerTop == 0 && positionY != headerTop) {\n header.classList.add(\"scrolled\");\n } else {\n header.classList.remove(\"scrolled\");\n }\n}\n\nfunction scrollHandlerForBackToTop(positionY) {\n if (positionY < GO_TO_TOP_OFFSET) {\n document.documentElement.classList.remove(\"show-back-to-top\");\n } else {\n if (positionY < lastScrollTop) {\n document.documentElement.classList.add(\"show-back-to-top\");\n } else if (positionY > lastScrollTop) {\n document.documentElement.classList.remove(\"show-back-to-top\");\n }\n }\n lastScrollTop = positionY;\n}\n\nfunction scrollHandlerForTOC(positionY) {\n if (tocScroll === null) {\n return;\n }\n\n // top of page.\n if (positionY == 0) {\n tocScroll.scrollTo(0, 0);\n } else if (\n // bottom of page.\n Math.ceil(positionY) >=\n Math.floor(document.documentElement.scrollHeight - window.innerHeight)\n ) {\n tocScroll.scrollTo(0, tocScroll.scrollHeight);\n } else {\n // somewhere in the middle.\n const current = document.querySelector(\".scroll-current\");\n if (current == null) {\n return;\n }\n\n // https://github.com/pypa/pip/issues/9159 This breaks scroll behaviours.\n // // scroll the currently \"active\" heading in toc, into view.\n // const rect = current.getBoundingClientRect();\n // if (0 > rect.top) {\n // current.scrollIntoView(true); // the argument is \"alignTop\"\n // } else if (rect.bottom > window.innerHeight) {\n // current.scrollIntoView(false);\n // }\n }\n}\n\nfunction scrollHandler(positionY) {\n scrollHandlerForHeader(positionY);\n scrollHandlerForBackToTop(positionY);\n scrollHandlerForTOC(positionY);\n}\n\n////////////////////////////////////////////////////////////////////////////////\n// Theme Toggle\n////////////////////////////////////////////////////////////////////////////////\nfunction setTheme(mode) {\n if (mode !== \"light\" && mode !== \"dark\" && mode !== \"auto\") {\n console.error(`Got invalid theme mode: ${mode}. Resetting to auto.`);\n mode = \"auto\";\n }\n\n document.body.dataset.theme = mode;\n localStorage.setItem(\"theme\", mode);\n console.log(`Changed to ${mode} mode.`);\n}\n\nfunction cycleThemeOnce() {\n const currentTheme = localStorage.getItem(\"theme\") || \"auto\";\n const prefersDark = window.matchMedia(\"(prefers-color-scheme: dark)\").matches;\n\n if (prefersDark) {\n // Auto (dark) -> Light -> Dark\n if (currentTheme === \"auto\") {\n setTheme(\"light\");\n } else if (currentTheme == \"light\") {\n setTheme(\"dark\");\n } else {\n setTheme(\"auto\");\n }\n } else {\n // Auto (light) -> Dark -> Light\n if (currentTheme === \"auto\") {\n setTheme(\"dark\");\n } else if (currentTheme == \"dark\") {\n setTheme(\"light\");\n } else {\n setTheme(\"auto\");\n }\n }\n}\n\n////////////////////////////////////////////////////////////////////////////////\n// Setup\n////////////////////////////////////////////////////////////////////////////////\nfunction setupScrollHandler() {\n // Taken from https://developer.mozilla.org/en-US/docs/Web/API/Document/scroll_event\n let last_known_scroll_position = 0;\n let ticking = false;\n\n window.addEventListener(\"scroll\", function (e) {\n last_known_scroll_position = window.scrollY;\n\n if (!ticking) {\n window.requestAnimationFrame(function () {\n scrollHandler(last_known_scroll_position);\n ticking = false;\n });\n\n ticking = true;\n }\n });\n window.scroll();\n}\n\nfunction setupScrollSpy() {\n if (tocScroll === null) {\n return;\n }\n\n // Scrollspy -- highlight table on contents, based on scroll\n new Gumshoe(\".toc-tree a\", {\n reflow: true,\n recursive: true,\n navClass: \"scroll-current\",\n offset: () => {\n let rem = parseFloat(getComputedStyle(document.documentElement).fontSize);\n return header.getBoundingClientRect().height + 2.5 * rem + 1;\n },\n });\n}\n\nfunction setupTheme() {\n // Attach event handlers for toggling themes\n const buttons = document.getElementsByClassName(\"theme-toggle\");\n Array.from(buttons).forEach((btn) => {\n btn.addEventListener(\"click\", cycleThemeOnce);\n });\n}\n\nfunction setup() {\n setupTheme();\n setupScrollHandler();\n setupScrollSpy();\n}\n\n////////////////////////////////////////////////////////////////////////////////\n// Main entrypoint\n////////////////////////////////////////////////////////////////////////////////\nfunction main() {\n document.body.parentNode.classList.remove(\"no-js\");\n\n header = document.querySelector(\"header\");\n tocScroll = document.querySelector(\".toc-scroll\");\n\n setup();\n}\n\ndocument.addEventListener(\"DOMContentLoaded\", main);\n"],"names":["root","g","window","this","defaults","navClass","contentClass","nested","nestedClass","offset","reflow","events","emitEvent","type","elem","detail","settings","event","CustomEvent","bubbles","cancelable","dispatchEvent","getOffsetTop","location","offsetParent","offsetTop","sortContents","contents","sort","item1","item2","content","isInView","bottom","bounds","getBoundingClientRect","parseFloat","getOffset","parseInt","innerHeight","document","documentElement","clientHeight","top","isAtBottom","Math","ceil","pageYOffset","max","body","scrollHeight","offsetHeight","getActive","last","length","item","useLastItem","i","deactivateNested","nav","parentNode","li","closest","classList","remove","deactivate","items","link","activateNested","add","selector","options","navItems","current","timeout","publicAPIs","querySelectorAll","Array","prototype","forEach","call","getElementById","decodeURIComponent","hash","substr","push","active","activate","scrollHandler","cancelAnimationFrame","requestAnimationFrame","detect","resizeHandler","destroy","removeEventListener","merged","arguments","obj","key","hasOwnProperty","extend","setup","addEventListener","factory","__webpack_module_cache__","__webpack_require__","moduleId","cachedModule","undefined","exports","module","__webpack_modules__","n","getter","__esModule","d","a","definition","o","Object","defineProperty","enumerable","get","globalThis","Function","e","prop","tocScroll","header","lastScrollTop","scrollTop","GO_TO_TOP_OFFSET","cycleThemeOnce","currentTheme","localStorage","getItem","mode","matchMedia","matches","console","error","dataset","theme","setItem","log","buttons","getElementsByClassName","from","btn","setupTheme","last_known_scroll_position","ticking","scrollY","positionY","headerTop","floor","scrollHandlerForHeader","scrollHandlerForBackToTop","scrollTo","querySelector","scrollHandlerForTOC","scroll","setupScrollHandler","recursive","rem","getComputedStyle","fontSize","height"],"sourceRoot":""} \ No newline at end of file diff --git a/docs/_static/searchtools.js b/docs/_static/searchtools.js new file mode 100644 index 00000000..2c774d17 --- /dev/null +++ b/docs/_static/searchtools.js @@ -0,0 +1,632 @@ +/* + * Sphinx JavaScript utilities for the full-text search. + */ +"use strict"; + +/** + * Simple result scoring code. + */ +if (typeof Scorer === "undefined") { + var Scorer = { + // Implement the following function to further tweak the score for each result + // The function takes a result array [docname, title, anchor, descr, score, filename] + // and returns the new score. + /* + score: result => { + const [docname, title, anchor, descr, score, filename, kind] = result + return score + }, + */ + + // query matches the full name of an object + objNameMatch: 11, + // or matches in the last dotted part of the object name + objPartialMatch: 6, + // Additive scores depending on the priority of the object + objPrio: { + 0: 15, // used to be importantResults + 1: 5, // used to be objectResults + 2: -5, // used to be unimportantResults + }, + // Used when the priority is not in the mapping. + objPrioDefault: 0, + + // query found in title + title: 15, + partialTitle: 7, + // query found in terms + term: 5, + partialTerm: 2, + }; +} + +// Global search result kind enum, used by themes to style search results. +class SearchResultKind { + static get index() { return "index"; } + static get object() { return "object"; } + static get text() { return "text"; } + static get title() { return "title"; } +} + +const _removeChildren = (element) => { + while (element && element.lastChild) element.removeChild(element.lastChild); +}; + +/** + * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions#escaping + */ +const _escapeRegExp = (string) => + string.replace(/[.*+\-?^${}()|[\]\\]/g, "\\$&"); // $& means the whole matched string + +const _displayItem = (item, searchTerms, highlightTerms) => { + const docBuilder = DOCUMENTATION_OPTIONS.BUILDER; + const docFileSuffix = DOCUMENTATION_OPTIONS.FILE_SUFFIX; + const docLinkSuffix = DOCUMENTATION_OPTIONS.LINK_SUFFIX; + const showSearchSummary = DOCUMENTATION_OPTIONS.SHOW_SEARCH_SUMMARY; + const contentRoot = document.documentElement.dataset.content_root; + + const [docName, title, anchor, descr, score, _filename, kind] = item; + + let listItem = document.createElement("li"); + // Add a class representing the item's type: + // can be used by a theme's CSS selector for styling + // See SearchResultKind for the class names. + listItem.classList.add(`kind-${kind}`); + let requestUrl; + let linkUrl; + if (docBuilder === "dirhtml") { + // dirhtml builder + let dirname = docName + "/"; + if (dirname.match(/\/index\/$/)) + dirname = dirname.substring(0, dirname.length - 6); + else if (dirname === "index/") dirname = ""; + requestUrl = contentRoot + dirname; + linkUrl = requestUrl; + } else { + // normal html builders + requestUrl = contentRoot + docName + docFileSuffix; + linkUrl = docName + docLinkSuffix; + } + let linkEl = listItem.appendChild(document.createElement("a")); + linkEl.href = linkUrl + anchor; + linkEl.dataset.score = score; + linkEl.innerHTML = title; + if (descr) { + listItem.appendChild(document.createElement("span")).innerHTML = + " (" + descr + ")"; + // highlight search terms in the description + if (SPHINX_HIGHLIGHT_ENABLED) // set in sphinx_highlight.js + highlightTerms.forEach((term) => _highlightText(listItem, term, "highlighted")); + } + else if (showSearchSummary) + fetch(requestUrl) + .then((responseData) => responseData.text()) + .then((data) => { + if (data) + listItem.appendChild( + Search.makeSearchSummary(data, searchTerms, anchor) + ); + // highlight search terms in the summary + if (SPHINX_HIGHLIGHT_ENABLED) // set in sphinx_highlight.js + highlightTerms.forEach((term) => _highlightText(listItem, term, "highlighted")); + }); + Search.output.appendChild(listItem); +}; +const _finishSearch = (resultCount) => { + Search.stopPulse(); + Search.title.innerText = _("Search Results"); + if (!resultCount) + Search.status.innerText = Documentation.gettext( + "Your search did not match any documents. Please make sure that all words are spelled correctly and that you've selected enough categories." + ); + else + Search.status.innerText = Documentation.ngettext( + "Search finished, found one page matching the search query.", + "Search finished, found ${resultCount} pages matching the search query.", + resultCount, + ).replace('${resultCount}', resultCount); +}; +const _displayNextItem = ( + results, + resultCount, + searchTerms, + highlightTerms, +) => { + // results left, load the summary and display it + // this is intended to be dynamic (don't sub resultsCount) + if (results.length) { + _displayItem(results.pop(), searchTerms, highlightTerms); + setTimeout( + () => _displayNextItem(results, resultCount, searchTerms, highlightTerms), + 5 + ); + } + // search finished, update title and status message + else _finishSearch(resultCount); +}; +// Helper function used by query() to order search results. +// Each input is an array of [docname, title, anchor, descr, score, filename, kind]. +// Order the results by score (in opposite order of appearance, since the +// `_displayNextItem` function uses pop() to retrieve items) and then alphabetically. +const _orderResultsByScoreThenName = (a, b) => { + const leftScore = a[4]; + const rightScore = b[4]; + if (leftScore === rightScore) { + // same score: sort alphabetically + const leftTitle = a[1].toLowerCase(); + const rightTitle = b[1].toLowerCase(); + if (leftTitle === rightTitle) return 0; + return leftTitle > rightTitle ? -1 : 1; // inverted is intentional + } + return leftScore > rightScore ? 1 : -1; +}; + +/** + * Default splitQuery function. Can be overridden in ``sphinx.search`` with a + * custom function per language. + * + * The regular expression works by splitting the string on consecutive characters + * that are not Unicode letters, numbers, underscores, or emoji characters. + * This is the same as ``\W+`` in Python, preserving the surrogate pair area. + */ +if (typeof splitQuery === "undefined") { + var splitQuery = (query) => query + .split(/[^\p{Letter}\p{Number}_\p{Emoji_Presentation}]+/gu) + .filter(term => term) // remove remaining empty strings +} + +/** + * Search Module + */ +const Search = { + _index: null, + _queued_query: null, + _pulse_status: -1, + + htmlToText: (htmlString, anchor) => { + const htmlElement = new DOMParser().parseFromString(htmlString, 'text/html'); + for (const removalQuery of [".headerlink", "script", "style"]) { + htmlElement.querySelectorAll(removalQuery).forEach((el) => { el.remove() }); + } + if (anchor) { + const anchorContent = htmlElement.querySelector(`[role="main"] ${anchor}`); + if (anchorContent) return anchorContent.textContent; + + console.warn( + `Anchored content block not found. Sphinx search tries to obtain it via DOM query '[role=main] ${anchor}'. Check your theme or template.` + ); + } + + // if anchor not specified or not found, fall back to main content + const docContent = htmlElement.querySelector('[role="main"]'); + if (docContent) return docContent.textContent; + + console.warn( + "Content block not found. Sphinx search tries to obtain it via DOM query '[role=main]'. Check your theme or template." + ); + return ""; + }, + + init: () => { + const query = new URLSearchParams(window.location.search).get("q"); + document + .querySelectorAll('input[name="q"]') + .forEach((el) => (el.value = query)); + if (query) Search.performSearch(query); + }, + + loadIndex: (url) => + (document.body.appendChild(document.createElement("script")).src = url), + + setIndex: (index) => { + Search._index = index; + if (Search._queued_query !== null) { + const query = Search._queued_query; + Search._queued_query = null; + Search.query(query); + } + }, + + hasIndex: () => Search._index !== null, + + deferQuery: (query) => (Search._queued_query = query), + + stopPulse: () => (Search._pulse_status = -1), + + startPulse: () => { + if (Search._pulse_status >= 0) return; + + const pulse = () => { + Search._pulse_status = (Search._pulse_status + 1) % 4; + Search.dots.innerText = ".".repeat(Search._pulse_status); + if (Search._pulse_status >= 0) window.setTimeout(pulse, 500); + }; + pulse(); + }, + + /** + * perform a search for something (or wait until index is loaded) + */ + performSearch: (query) => { + // create the required interface elements + const searchText = document.createElement("h2"); + searchText.textContent = _("Searching"); + const searchSummary = document.createElement("p"); + searchSummary.classList.add("search-summary"); + searchSummary.innerText = ""; + const searchList = document.createElement("ul"); + searchList.setAttribute("role", "list"); + searchList.classList.add("search"); + + const out = document.getElementById("search-results"); + Search.title = out.appendChild(searchText); + Search.dots = Search.title.appendChild(document.createElement("span")); + Search.status = out.appendChild(searchSummary); + Search.output = out.appendChild(searchList); + + const searchProgress = document.getElementById("search-progress"); + // Some themes don't use the search progress node + if (searchProgress) { + searchProgress.innerText = _("Preparing search..."); + } + Search.startPulse(); + + // index already loaded, the browser was quick! + if (Search.hasIndex()) Search.query(query); + else Search.deferQuery(query); + }, + + _parseQuery: (query) => { + // stem the search terms and add them to the correct list + const stemmer = new Stemmer(); + const searchTerms = new Set(); + const excludedTerms = new Set(); + const highlightTerms = new Set(); + const objectTerms = new Set(splitQuery(query.toLowerCase().trim())); + splitQuery(query.trim()).forEach((queryTerm) => { + const queryTermLower = queryTerm.toLowerCase(); + + // maybe skip this "word" + // stopwords array is from language_data.js + if ( + stopwords.indexOf(queryTermLower) !== -1 || + queryTerm.match(/^\d+$/) + ) + return; + + // stem the word + let word = stemmer.stemWord(queryTermLower); + // select the correct list + if (word[0] === "-") excludedTerms.add(word.substr(1)); + else { + searchTerms.add(word); + highlightTerms.add(queryTermLower); + } + }); + + if (SPHINX_HIGHLIGHT_ENABLED) { // set in sphinx_highlight.js + localStorage.setItem("sphinx_highlight_terms", [...highlightTerms].join(" ")) + } + + // console.debug("SEARCH: searching for:"); + // console.info("required: ", [...searchTerms]); + // console.info("excluded: ", [...excludedTerms]); + + return [query, searchTerms, excludedTerms, highlightTerms, objectTerms]; + }, + + /** + * execute search (requires search index to be loaded) + */ + _performSearch: (query, searchTerms, excludedTerms, highlightTerms, objectTerms) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + const allTitles = Search._index.alltitles; + const indexEntries = Search._index.indexentries; + + // Collect multiple result groups to be sorted separately and then ordered. + // Each is an array of [docname, title, anchor, descr, score, filename, kind]. + const normalResults = []; + const nonMainIndexResults = []; + + _removeChildren(document.getElementById("search-progress")); + + const queryLower = query.toLowerCase().trim(); + for (const [title, foundTitles] of Object.entries(allTitles)) { + if (title.toLowerCase().trim().includes(queryLower) && (queryLower.length >= title.length/2)) { + for (const [file, id] of foundTitles) { + const score = Math.round(Scorer.title * queryLower.length / title.length); + const boost = titles[file] === title ? 1 : 0; // add a boost for document titles + normalResults.push([ + docNames[file], + titles[file] !== title ? `${titles[file]} > ${title}` : title, + id !== null ? "#" + id : "", + null, + score + boost, + filenames[file], + SearchResultKind.title, + ]); + } + } + } + + // search for explicit entries in index directives + for (const [entry, foundEntries] of Object.entries(indexEntries)) { + if (entry.includes(queryLower) && (queryLower.length >= entry.length/2)) { + for (const [file, id, isMain] of foundEntries) { + const score = Math.round(100 * queryLower.length / entry.length); + const result = [ + docNames[file], + titles[file], + id ? "#" + id : "", + null, + score, + filenames[file], + SearchResultKind.index, + ]; + if (isMain) { + normalResults.push(result); + } else { + nonMainIndexResults.push(result); + } + } + } + } + + // lookup as object + objectTerms.forEach((term) => + normalResults.push(...Search.performObjectSearch(term, objectTerms)) + ); + + // lookup as search terms in fulltext + normalResults.push(...Search.performTermsSearch(searchTerms, excludedTerms)); + + // let the scorer override scores with a custom scoring function + if (Scorer.score) { + normalResults.forEach((item) => (item[4] = Scorer.score(item))); + nonMainIndexResults.forEach((item) => (item[4] = Scorer.score(item))); + } + + // Sort each group of results by score and then alphabetically by name. + normalResults.sort(_orderResultsByScoreThenName); + nonMainIndexResults.sort(_orderResultsByScoreThenName); + + // Combine the result groups in (reverse) order. + // Non-main index entries are typically arbitrary cross-references, + // so display them after other results. + let results = [...nonMainIndexResults, ...normalResults]; + + // remove duplicate search results + // note the reversing of results, so that in the case of duplicates, the highest-scoring entry is kept + let seen = new Set(); + results = results.reverse().reduce((acc, result) => { + let resultStr = result.slice(0, 4).concat([result[5]]).map(v => String(v)).join(','); + if (!seen.has(resultStr)) { + acc.push(result); + seen.add(resultStr); + } + return acc; + }, []); + + return results.reverse(); + }, + + query: (query) => { + const [searchQuery, searchTerms, excludedTerms, highlightTerms, objectTerms] = Search._parseQuery(query); + const results = Search._performSearch(searchQuery, searchTerms, excludedTerms, highlightTerms, objectTerms); + + // for debugging + //Search.lastresults = results.slice(); // a copy + // console.info("search results:", Search.lastresults); + + // print the results + _displayNextItem(results, results.length, searchTerms, highlightTerms); + }, + + /** + * search for object names + */ + performObjectSearch: (object, objectTerms) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const objects = Search._index.objects; + const objNames = Search._index.objnames; + const titles = Search._index.titles; + + const results = []; + + const objectSearchCallback = (prefix, match) => { + const name = match[4] + const fullname = (prefix ? prefix + "." : "") + name; + const fullnameLower = fullname.toLowerCase(); + if (fullnameLower.indexOf(object) < 0) return; + + let score = 0; + const parts = fullnameLower.split("."); + + // check for different match types: exact matches of full name or + // "last name" (i.e. last dotted part) + if (fullnameLower === object || parts.slice(-1)[0] === object) + score += Scorer.objNameMatch; + else if (parts.slice(-1)[0].indexOf(object) > -1) + score += Scorer.objPartialMatch; // matches in last name + + const objName = objNames[match[1]][2]; + const title = titles[match[0]]; + + // If more than one term searched for, we require other words to be + // found in the name/title/description + const otherTerms = new Set(objectTerms); + otherTerms.delete(object); + if (otherTerms.size > 0) { + const haystack = `${prefix} ${name} ${objName} ${title}`.toLowerCase(); + if ( + [...otherTerms].some((otherTerm) => haystack.indexOf(otherTerm) < 0) + ) + return; + } + + let anchor = match[3]; + if (anchor === "") anchor = fullname; + else if (anchor === "-") anchor = objNames[match[1]][1] + "-" + fullname; + + const descr = objName + _(", in ") + title; + + // add custom score for some objects according to scorer + if (Scorer.objPrio.hasOwnProperty(match[2])) + score += Scorer.objPrio[match[2]]; + else score += Scorer.objPrioDefault; + + results.push([ + docNames[match[0]], + fullname, + "#" + anchor, + descr, + score, + filenames[match[0]], + SearchResultKind.object, + ]); + }; + Object.keys(objects).forEach((prefix) => + objects[prefix].forEach((array) => + objectSearchCallback(prefix, array) + ) + ); + return results; + }, + + /** + * search for full-text terms in the index + */ + performTermsSearch: (searchTerms, excludedTerms) => { + // prepare search + const terms = Search._index.terms; + const titleTerms = Search._index.titleterms; + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + + const scoreMap = new Map(); + const fileMap = new Map(); + + // perform the search on the required terms + searchTerms.forEach((word) => { + const files = []; + const arr = [ + { files: terms[word], score: Scorer.term }, + { files: titleTerms[word], score: Scorer.title }, + ]; + // add support for partial matches + if (word.length > 2) { + const escapedWord = _escapeRegExp(word); + if (!terms.hasOwnProperty(word)) { + Object.keys(terms).forEach((term) => { + if (term.match(escapedWord)) + arr.push({ files: terms[term], score: Scorer.partialTerm }); + }); + } + if (!titleTerms.hasOwnProperty(word)) { + Object.keys(titleTerms).forEach((term) => { + if (term.match(escapedWord)) + arr.push({ files: titleTerms[term], score: Scorer.partialTitle }); + }); + } + } + + // no match but word was a required one + if (arr.every((record) => record.files === undefined)) return; + + // found search word in contents + arr.forEach((record) => { + if (record.files === undefined) return; + + let recordFiles = record.files; + if (recordFiles.length === undefined) recordFiles = [recordFiles]; + files.push(...recordFiles); + + // set score for the word in each file + recordFiles.forEach((file) => { + if (!scoreMap.has(file)) scoreMap.set(file, {}); + scoreMap.get(file)[word] = record.score; + }); + }); + + // create the mapping + files.forEach((file) => { + if (!fileMap.has(file)) fileMap.set(file, [word]); + else if (fileMap.get(file).indexOf(word) === -1) fileMap.get(file).push(word); + }); + }); + + // now check if the files don't contain excluded terms + const results = []; + for (const [file, wordList] of fileMap) { + // check if all requirements are matched + + // as search terms with length < 3 are discarded + const filteredTermCount = [...searchTerms].filter( + (term) => term.length > 2 + ).length; + if ( + wordList.length !== searchTerms.size && + wordList.length !== filteredTermCount + ) + continue; + + // ensure that none of the excluded terms is in the search result + if ( + [...excludedTerms].some( + (term) => + terms[term] === file || + titleTerms[term] === file || + (terms[term] || []).includes(file) || + (titleTerms[term] || []).includes(file) + ) + ) + break; + + // select one (max) score for the file. + const score = Math.max(...wordList.map((w) => scoreMap.get(file)[w])); + // add result to the result list + results.push([ + docNames[file], + titles[file], + "", + null, + score, + filenames[file], + SearchResultKind.text, + ]); + } + return results; + }, + + /** + * helper function to return a node containing the + * search summary for a given text. keywords is a list + * of stemmed words. + */ + makeSearchSummary: (htmlText, keywords, anchor) => { + const text = Search.htmlToText(htmlText, anchor); + if (text === "") return null; + + const textLower = text.toLowerCase(); + const actualStartPosition = [...keywords] + .map((k) => textLower.indexOf(k.toLowerCase())) + .filter((i) => i > -1) + .slice(-1)[0]; + const startWithContext = Math.max(actualStartPosition - 120, 0); + + const top = startWithContext === 0 ? "" : "..."; + const tail = startWithContext + 240 < text.length ? "..." : ""; + + let summary = document.createElement("p"); + summary.classList.add("context"); + summary.textContent = top + text.substr(startWithContext, 240).trim() + tail; + + return summary; + }, +}; + +_ready(Search.init); diff --git a/docs/_static/skeleton.css b/docs/_static/skeleton.css new file mode 100644 index 00000000..467c878c --- /dev/null +++ b/docs/_static/skeleton.css @@ -0,0 +1,296 @@ +/* Some sane resets. */ +html { + height: 100%; +} + +body { + margin: 0; + min-height: 100%; +} + +/* All the flexbox magic! */ +body, +.sb-announcement, +.sb-content, +.sb-main, +.sb-container, +.sb-container__inner, +.sb-article-container, +.sb-footer-content, +.sb-header, +.sb-header-secondary, +.sb-footer { + display: flex; +} + +/* These order things vertically */ +body, +.sb-main, +.sb-article-container { + flex-direction: column; +} + +/* Put elements in the center */ +.sb-header, +.sb-header-secondary, +.sb-container, +.sb-content, +.sb-footer, +.sb-footer-content { + justify-content: center; +} +/* Put elements at the ends */ +.sb-article-container { + justify-content: space-between; +} + +/* These elements grow. */ +.sb-main, +.sb-content, +.sb-container, +article { + flex-grow: 1; +} + +/* Because padding making this wider is not fun */ +article { + box-sizing: border-box; +} + +/* The announcements element should never be wider than the page. */ +.sb-announcement { + max-width: 100%; +} + +.sb-sidebar-primary, +.sb-sidebar-secondary { + flex-shrink: 0; + width: 17rem; +} + +.sb-announcement__inner { + justify-content: center; + + box-sizing: border-box; + height: 3rem; + + overflow-x: auto; + white-space: nowrap; +} + +/* Sidebars, with checkbox-based toggle */ +.sb-sidebar-primary, +.sb-sidebar-secondary { + position: fixed; + height: 100%; + top: 0; +} + +.sb-sidebar-primary { + left: -17rem; + transition: left 250ms ease-in-out; +} +.sb-sidebar-secondary { + right: -17rem; + transition: right 250ms ease-in-out; +} + +.sb-sidebar-toggle { + display: none; +} +.sb-sidebar-overlay { + position: fixed; + top: 0; + width: 0; + height: 0; + + transition: width 0ms ease 250ms, height 0ms ease 250ms, opacity 250ms ease; + + opacity: 0; + background-color: rgba(0, 0, 0, 0.54); +} + +#sb-sidebar-toggle--primary:checked + ~ .sb-sidebar-overlay[for="sb-sidebar-toggle--primary"], +#sb-sidebar-toggle--secondary:checked + ~ .sb-sidebar-overlay[for="sb-sidebar-toggle--secondary"] { + width: 100%; + height: 100%; + opacity: 1; + transition: width 0ms ease, height 0ms ease, opacity 250ms ease; +} + +#sb-sidebar-toggle--primary:checked ~ .sb-container .sb-sidebar-primary { + left: 0; +} +#sb-sidebar-toggle--secondary:checked ~ .sb-container .sb-sidebar-secondary { + right: 0; +} + +/* Full-width mode */ +.drop-secondary-sidebar-for-full-width-content + .hide-when-secondary-sidebar-shown { + display: none !important; +} +.drop-secondary-sidebar-for-full-width-content .sb-sidebar-secondary { + display: none !important; +} + +/* Mobile views */ +.sb-page-width { + width: 100%; +} + +.sb-article-container, +.sb-footer-content__inner, +.drop-secondary-sidebar-for-full-width-content .sb-article, +.drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 100vw; +} + +.sb-article, +.match-content-width { + padding: 0 1rem; + box-sizing: border-box; +} + +@media (min-width: 32rem) { + .sb-article, + .match-content-width { + padding: 0 2rem; + } +} + +/* Tablet views */ +@media (min-width: 42rem) { + .sb-article-container { + width: auto; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 42rem; + } + .sb-article, + .match-content-width { + width: 42rem; + } +} +@media (min-width: 46rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 46rem; + } + .sb-article, + .match-content-width { + width: 46rem; + } +} +@media (min-width: 50rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 50rem; + } + .sb-article, + .match-content-width { + width: 50rem; + } +} + +/* Tablet views */ +@media (min-width: 59rem) { + .sb-sidebar-secondary { + position: static; + } + .hide-when-secondary-sidebar-shown { + display: none !important; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 59rem; + } + .sb-article, + .match-content-width { + width: 42rem; + } +} +@media (min-width: 63rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 63rem; + } + .sb-article, + .match-content-width { + width: 46rem; + } +} +@media (min-width: 67rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 67rem; + } + .sb-article, + .match-content-width { + width: 50rem; + } +} + +/* Desktop views */ +@media (min-width: 76rem) { + .sb-sidebar-primary { + position: static; + } + .hide-when-primary-sidebar-shown { + display: none !important; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 59rem; + } + .sb-article, + .match-content-width { + width: 42rem; + } +} + +/* Full desktop views */ +@media (min-width: 80rem) { + .sb-article, + .match-content-width { + width: 46rem; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 63rem; + } +} + +@media (min-width: 84rem) { + .sb-article, + .match-content-width { + width: 50rem; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 67rem; + } +} + +@media (min-width: 88rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 67rem; + } + .sb-page-width { + width: 88rem; + } +} diff --git a/docs/_static/sphinx_highlight.js b/docs/_static/sphinx_highlight.js new file mode 100644 index 00000000..8a96c69a --- /dev/null +++ b/docs/_static/sphinx_highlight.js @@ -0,0 +1,154 @@ +/* Highlighting utilities for Sphinx HTML documentation. */ +"use strict"; + +const SPHINX_HIGHLIGHT_ENABLED = true + +/** + * highlight a given string on a node by wrapping it in + * span elements with the given class name. + */ +const _highlight = (node, addItems, text, className) => { + if (node.nodeType === Node.TEXT_NODE) { + const val = node.nodeValue; + const parent = node.parentNode; + const pos = val.toLowerCase().indexOf(text); + if ( + pos >= 0 && + !parent.classList.contains(className) && + !parent.classList.contains("nohighlight") + ) { + let span; + + const closestNode = parent.closest("body, svg, foreignObject"); + const isInSVG = closestNode && closestNode.matches("svg"); + if (isInSVG) { + span = document.createElementNS("http://www.w3.org/2000/svg", "tspan"); + } else { + span = document.createElement("span"); + span.classList.add(className); + } + + span.appendChild(document.createTextNode(val.substr(pos, text.length))); + const rest = document.createTextNode(val.substr(pos + text.length)); + parent.insertBefore( + span, + parent.insertBefore( + rest, + node.nextSibling + ) + ); + node.nodeValue = val.substr(0, pos); + /* There may be more occurrences of search term in this node. So call this + * function recursively on the remaining fragment. + */ + _highlight(rest, addItems, text, className); + + if (isInSVG) { + const rect = document.createElementNS( + "http://www.w3.org/2000/svg", + "rect" + ); + const bbox = parent.getBBox(); + rect.x.baseVal.value = bbox.x; + rect.y.baseVal.value = bbox.y; + rect.width.baseVal.value = bbox.width; + rect.height.baseVal.value = bbox.height; + rect.setAttribute("class", className); + addItems.push({ parent: parent, target: rect }); + } + } + } else if (node.matches && !node.matches("button, select, textarea")) { + node.childNodes.forEach((el) => _highlight(el, addItems, text, className)); + } +}; +const _highlightText = (thisNode, text, className) => { + let addItems = []; + _highlight(thisNode, addItems, text, className); + addItems.forEach((obj) => + obj.parent.insertAdjacentElement("beforebegin", obj.target) + ); +}; + +/** + * Small JavaScript module for the documentation. + */ +const SphinxHighlight = { + + /** + * highlight the search words provided in localstorage in the text + */ + highlightSearchWords: () => { + if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight + + // get and clear terms from localstorage + const url = new URL(window.location); + const highlight = + localStorage.getItem("sphinx_highlight_terms") + || url.searchParams.get("highlight") + || ""; + localStorage.removeItem("sphinx_highlight_terms") + url.searchParams.delete("highlight"); + window.history.replaceState({}, "", url); + + // get individual terms from highlight string + const terms = highlight.toLowerCase().split(/\s+/).filter(x => x); + if (terms.length === 0) return; // nothing to do + + // There should never be more than one element matching "div.body" + const divBody = document.querySelectorAll("div.body"); + const body = divBody.length ? divBody[0] : document.querySelector("body"); + window.setTimeout(() => { + terms.forEach((term) => _highlightText(body, term, "highlighted")); + }, 10); + + const searchBox = document.getElementById("searchbox"); + if (searchBox === null) return; + searchBox.appendChild( + document + .createRange() + .createContextualFragment( + '

" + ) + ); + }, + + /** + * helper function to hide the search marks again + */ + hideSearchWords: () => { + document + .querySelectorAll("#searchbox .highlight-link") + .forEach((el) => el.remove()); + document + .querySelectorAll("span.highlighted") + .forEach((el) => el.classList.remove("highlighted")); + localStorage.removeItem("sphinx_highlight_terms") + }, + + initEscapeListener: () => { + // only install a listener if it is really needed + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; + // bail with special keys + if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey) return; + if (DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS && (event.key === "Escape")) { + SphinxHighlight.hideSearchWords(); + event.preventDefault(); + } + }); + }, +}; + +_ready(() => { + /* Do not call highlightSearchWords() when we are on the search page. + * It will highlight words from the *previous* search query. + */ + if (typeof Search === "undefined") SphinxHighlight.highlightSearchWords(); + SphinxHighlight.initEscapeListener(); +}); diff --git a/docs/_static/styles/furo-extensions.css b/docs/_static/styles/furo-extensions.css new file mode 100644 index 00000000..82295876 --- /dev/null +++ b/docs/_static/styles/furo-extensions.css @@ -0,0 +1,2 @@ +#furo-sidebar-ad-placement{padding:var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)}#furo-sidebar-ad-placement .ethical-sidebar{background:var(--color-background-secondary);border:none;box-shadow:none}#furo-sidebar-ad-placement .ethical-sidebar:hover{background:var(--color-background-hover)}#furo-sidebar-ad-placement .ethical-sidebar a{color:var(--color-foreground-primary)}#furo-sidebar-ad-placement .ethical-callout 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Correct the color inheritance from `fieldset` elements in IE.\n * 3. Remove the padding so developers are not caught out when they zero out\n * `fieldset` elements in all browsers.\n */\n\nlegend {\n box-sizing: border-box; /* 1 */\n color: inherit; /* 2 */\n display: table; /* 1 */\n max-width: 100%; /* 1 */\n padding: 0; /* 3 */\n white-space: normal; /* 1 */\n}\n\n/**\n * Add the correct vertical alignment in Chrome, Firefox, and Opera.\n */\n\nprogress {\n vertical-align: baseline;\n}\n\n/**\n * Remove the default vertical scrollbar in IE 10+.\n */\n\ntextarea {\n overflow: auto;\n}\n\n/**\n * 1. Add the correct box sizing in IE 10.\n * 2. Remove the padding in IE 10.\n */\n\n[type=\"checkbox\"],\n[type=\"radio\"] {\n box-sizing: border-box; /* 1 */\n padding: 0; /* 2 */\n}\n\n/**\n * Correct the cursor style of increment and decrement buttons in Chrome.\n */\n\n[type=\"number\"]::-webkit-inner-spin-button,\n[type=\"number\"]::-webkit-outer-spin-button {\n height: auto;\n}\n\n/**\n * 1. Correct the odd appearance in Chrome and Safari.\n * 2. Correct the outline style in Safari.\n */\n\n[type=\"search\"] {\n -webkit-appearance: textfield; /* 1 */\n outline-offset: -2px; /* 2 */\n}\n\n/**\n * Remove the inner padding in Chrome and Safari on macOS.\n */\n\n[type=\"search\"]::-webkit-search-decoration {\n -webkit-appearance: none;\n}\n\n/**\n * 1. Correct the inability to style clickable types in iOS and Safari.\n * 2. Change font properties to `inherit` in Safari.\n */\n\n::-webkit-file-upload-button {\n -webkit-appearance: button; /* 1 */\n font: inherit; /* 2 */\n}\n\n/* Interactive\n ========================================================================== */\n\n/*\n * Add the correct display in Edge, IE 10+, and Firefox.\n */\n\ndetails {\n display: block;\n}\n\n/*\n * Add the correct display in all browsers.\n */\n\nsummary {\n display: list-item;\n}\n\n/* Misc\n ========================================================================== */\n\n/**\n * Add the correct display in IE 10+.\n */\n\ntemplate {\n display: none;\n}\n\n/**\n * Add the correct display in IE 10.\n */\n\n[hidden] {\n display: none;\n}\n","// This file contains styles for managing print media.\n\n////////////////////////////////////////////////////////////////////////////////\n// Hide elements not relevant to print media.\n////////////////////////////////////////////////////////////////////////////////\n@media print\n // Hide icon container.\n .content-icon-container\n display: none !important\n\n // Hide showing header links if hovering over when printing.\n .headerlink\n display: none !important\n\n // Hide mobile header.\n .mobile-header\n display: none !important\n\n // Hide navigation links.\n .related-pages\n display: none !important\n\n////////////////////////////////////////////////////////////////////////////////\n// Tweaks related to decolorization.\n////////////////////////////////////////////////////////////////////////////////\n@media print\n // Apply a border around code which no longer have a color background.\n .highlight\n border: 0.1pt solid var(--color-foreground-border)\n\n////////////////////////////////////////////////////////////////////////////////\n// Avoid page break in some relevant cases.\n////////////////////////////////////////////////////////////////////////////////\n@media print\n ul, ol, dl, a, table, pre, blockquote, p\n page-break-inside: avoid\n\n h1, h2, h3, h4, h5, h6, img, figure, caption\n page-break-inside: avoid\n page-break-after: avoid\n\n ul, ol, dl\n page-break-before: avoid\n",".visually-hidden\n position: absolute !important\n width: 1px !important\n height: 1px !important\n padding: 0 !important\n margin: -1px !important\n overflow: hidden !important\n clip: rect(0,0,0,0) !important\n white-space: nowrap !important\n border: 0 !important\n color: var(--color-foreground-primary)\n background: var(--color-background-primary)\n\n:-moz-focusring\n outline: auto\n","// This file serves as the \"skeleton\" of the theming logic.\n//\n// This contains the bulk of the logic for handling dark mode, color scheme\n// toggling and the handling of color-scheme-specific hiding of elements.\n\nbody\n @include fonts\n @include spacing\n @include icons\n @include admonitions\n @include default-admonition(#651fff, \"abstract\")\n @include default-topic(#14B8A6, \"pencil\")\n\n @include colors\n\n.only-light\n display: block !important\nhtml body .only-dark\n display: none !important\n\n// Ignore dark-mode hints if print media.\n@media not print\n // Enable dark-mode, if requested.\n body[data-theme=\"dark\"]\n @include colors-dark\n\n html & .only-light\n display: none !important\n .only-dark\n display: block !important\n\n // Enable dark mode, unless explicitly told to avoid.\n @media (prefers-color-scheme: dark)\n body:not([data-theme=\"light\"])\n @include colors-dark\n\n html & .only-light\n display: none !important\n .only-dark\n display: block !important\n\n//\n// Theme toggle presentation\n//\nbody[data-theme=\"auto\"]\n .theme-toggle svg.theme-icon-when-auto-light\n display: block\n\n @media (prefers-color-scheme: dark)\n .theme-toggle svg.theme-icon-when-auto-dark\n display: block\n .theme-toggle svg.theme-icon-when-auto-light\n display: none\n\nbody[data-theme=\"dark\"]\n .theme-toggle svg.theme-icon-when-dark\n display: block\n\nbody[data-theme=\"light\"]\n .theme-toggle svg.theme-icon-when-light\n display: block\n","// Fonts used by this theme.\n//\n// There are basically two things here -- using the system font stack and\n// defining sizes for various elements in %ages. We could have also used `em`\n// but %age is easier to reason about for me.\n\n@mixin fonts {\n // These are adapted from https://systemfontstack.com/\n --font-stack: -apple-system, BlinkMacSystemFont, Segoe UI, Helvetica, Arial,\n sans-serif, Apple Color Emoji, Segoe UI Emoji;\n --font-stack--monospace: \"SFMono-Regular\", Menlo, Consolas, Monaco,\n Liberation Mono, Lucida Console, monospace;\n --font-stack--headings: var(--font-stack);\n\n --font-size--normal: 100%;\n --font-size--small: 87.5%;\n --font-size--small--2: 81.25%;\n --font-size--small--3: 75%;\n --font-size--small--4: 62.5%;\n\n // Sidebar\n --sidebar-caption-font-size: var(--font-size--small--2);\n --sidebar-item-font-size: var(--font-size--small);\n --sidebar-search-input-font-size: var(--font-size--small);\n\n // Table of Contents\n --toc-font-size: var(--font-size--small--3);\n --toc-font-size--mobile: var(--font-size--normal);\n --toc-title-font-size: var(--font-size--small--4);\n\n // Admonitions\n //\n // These aren't defined in terms of %ages, since nesting these is permitted.\n --admonition-font-size: 0.8125rem;\n --admonition-title-font-size: 0.8125rem;\n\n // Code\n --code-font-size: var(--font-size--small--2);\n\n // API\n --api-font-size: var(--font-size--small);\n}\n","// Spacing for various elements on the page\n//\n// If the user wants to tweak things in a certain way, they are permitted to.\n// They also have to deal with the consequences though!\n\n@mixin spacing {\n // Header!\n --header-height: calc(\n var(--sidebar-item-line-height) + 4 * #{var(--sidebar-item-spacing-vertical)}\n );\n --header-padding: 0.5rem;\n\n // Sidebar\n --sidebar-tree-space-above: 1.5rem;\n --sidebar-caption-space-above: 1rem;\n\n --sidebar-item-line-height: 1rem;\n --sidebar-item-spacing-vertical: 0.5rem;\n --sidebar-item-spacing-horizontal: 1rem;\n --sidebar-item-height: calc(\n var(--sidebar-item-line-height) + 2 *#{var(--sidebar-item-spacing-vertical)}\n );\n\n --sidebar-expander-width: var(--sidebar-item-height); // be square\n\n --sidebar-search-space-above: 0.5rem;\n --sidebar-search-input-spacing-vertical: 0.5rem;\n --sidebar-search-input-spacing-horizontal: 0.5rem;\n --sidebar-search-input-height: 1rem;\n --sidebar-search-icon-size: var(--sidebar-search-input-height);\n\n // Table of Contents\n --toc-title-padding: 0.25rem 0;\n --toc-spacing-vertical: 1.5rem;\n --toc-spacing-horizontal: 1.5rem;\n --toc-item-spacing-vertical: 0.4rem;\n --toc-item-spacing-horizontal: 1rem;\n}\n","// Expose theme icons as CSS variables.\n\n$icons: (\n // Adapted from tabler-icons\n // url: https://tablericons.com/\n \"search\":\n url('data:image/svg+xml;charset=utf-8,'),\n // Factored out from mkdocs-material on 24-Aug-2020.\n // url: https://squidfunk.github.io/mkdocs-material/reference/admonitions/\n \"pencil\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"abstract\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"info\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"flame\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"question\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"warning\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"failure\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"spark\":\n url('data:image/svg+xml;charset=utf-8,')\n);\n\n@mixin icons {\n @each $name, $glyph in $icons {\n --icon-#{$name}: #{$glyph};\n }\n}\n","// Admonitions\n\n// Structure of these is:\n// admonition-class: color \"icon-name\";\n//\n// The colors are translated into CSS variables below. The icons are\n// used directly in the main declarations to set the `mask-image` in\n// the title.\n\n// prettier-ignore\n$admonitions: (\n // Each of these has an reST directives for it.\n \"caution\": #ff9100 \"spark\",\n \"warning\": #ff9100 \"warning\",\n \"danger\": #ff5252 \"spark\",\n \"attention\": #ff5252 \"warning\",\n \"error\": #ff5252 \"failure\",\n \"hint\": #00c852 \"question\",\n \"tip\": #00c852 \"info\",\n \"important\": #00bfa5 \"flame\",\n \"note\": #00b0ff \"pencil\",\n \"seealso\": #448aff \"info\",\n \"admonition-todo\": #808080 \"pencil\"\n);\n\n@mixin default-admonition($color, $icon-name) {\n --color-admonition-title: #{$color};\n --color-admonition-title-background: #{rgba($color, 0.2)};\n\n --icon-admonition-default: var(--icon-#{$icon-name});\n}\n\n@mixin default-topic($color, $icon-name) {\n --color-topic-title: #{$color};\n --color-topic-title-background: #{rgba($color, 0.2)};\n\n --icon-topic-default: var(--icon-#{$icon-name});\n}\n\n@mixin admonitions {\n @each $name, $values in $admonitions {\n --color-admonition-title--#{$name}: #{nth($values, 1)};\n --color-admonition-title-background--#{$name}: #{rgba(\n nth($values, 1),\n 0.2\n )};\n }\n}\n","// Colors used throughout this theme.\n//\n// The aim is to give the user more control. Thus, instead of hard-coding colors\n// in various parts of the stylesheet, the approach taken is to define all\n// colors as CSS variables and reusing them in all the places.\n//\n// `colors-dark` depends on `colors` being included at a lower specificity.\n\n@mixin colors {\n --color-problematic: #b30000;\n\n // Base Colors\n --color-foreground-primary: black; // for main text and headings\n --color-foreground-secondary: #5a5c63; // for secondary text\n --color-foreground-muted: #6b6f76; // for muted text\n --color-foreground-border: #878787; // for content borders\n\n --color-background-primary: white; // for content\n --color-background-secondary: #f8f9fb; // for navigation + ToC\n --color-background-hover: #efeff4ff; // for navigation-item hover\n --color-background-hover--transparent: #efeff400;\n --color-background-border: #eeebee; // for UI borders\n --color-background-item: #ccc; // for \"background\" items (eg: copybutton)\n\n // Announcements\n --color-announcement-background: #000000dd;\n --color-announcement-text: #eeebee;\n\n // Brand colors\n --color-brand-primary: #0a4bff;\n --color-brand-content: #2757dd;\n --color-brand-visited: #872ee0;\n\n // API documentation\n --color-api-background: var(--color-background-hover--transparent);\n --color-api-background-hover: var(--color-background-hover);\n --color-api-overall: var(--color-foreground-secondary);\n --color-api-name: var(--color-problematic);\n --color-api-pre-name: var(--color-problematic);\n --color-api-paren: var(--color-foreground-secondary);\n --color-api-keyword: var(--color-foreground-primary);\n\n --color-api-added: #21632c;\n --color-api-added-border: #38a84d;\n --color-api-changed: #046172;\n --color-api-changed-border: #06a1bc;\n --color-api-deprecated: #605706;\n --color-api-deprecated-border: #f0d90f;\n --color-api-removed: #b30000;\n --color-api-removed-border: #ff5c5c;\n\n --color-highlight-on-target: #ffffcc;\n\n // Inline code background\n --color-inline-code-background: var(--color-background-secondary);\n\n // Highlighted text (search)\n --color-highlighted-background: #ddeeff;\n --color-highlighted-text: var(--color-foreground-primary);\n\n // GUI Labels\n --color-guilabel-background: #ddeeff80;\n --color-guilabel-border: #bedaf580;\n --color-guilabel-text: var(--color-foreground-primary);\n\n // Admonitions!\n --color-admonition-background: transparent;\n\n //////////////////////////////////////////////////////////////////////////////\n // Everything below this should be one of:\n // - var(...)\n // - *-gradient(...)\n // - special literal values (eg: transparent, none)\n //////////////////////////////////////////////////////////////////////////////\n\n // Tables\n --color-table-header-background: var(--color-background-secondary);\n --color-table-border: var(--color-background-border);\n\n // Cards\n --color-card-border: var(--color-background-secondary);\n --color-card-background: transparent;\n --color-card-marginals-background: var(--color-background-secondary);\n\n // Header\n --color-header-background: var(--color-background-primary);\n --color-header-border: var(--color-background-border);\n --color-header-text: var(--color-foreground-primary);\n\n // Sidebar (left)\n --color-sidebar-background: var(--color-background-secondary);\n --color-sidebar-background-border: var(--color-background-border);\n\n --color-sidebar-brand-text: var(--color-foreground-primary);\n --color-sidebar-caption-text: var(--color-foreground-muted);\n --color-sidebar-link-text: var(--color-foreground-secondary);\n --color-sidebar-link-text--top-level: var(--color-brand-primary);\n\n --color-sidebar-item-background: var(--color-sidebar-background);\n --color-sidebar-item-background--current: var(\n --color-sidebar-item-background\n );\n --color-sidebar-item-background--hover: linear-gradient(\n 90deg,\n var(--color-background-hover--transparent) 0%,\n var(--color-background-hover) var(--sidebar-item-spacing-horizontal),\n var(--color-background-hover) 100%\n );\n\n --color-sidebar-item-expander-background: transparent;\n --color-sidebar-item-expander-background--hover: var(\n --color-background-hover\n );\n\n --color-sidebar-search-text: var(--color-foreground-primary);\n --color-sidebar-search-background: var(--color-background-secondary);\n --color-sidebar-search-background--focus: var(--color-background-primary);\n --color-sidebar-search-border: var(--color-background-border);\n --color-sidebar-search-icon: var(--color-foreground-muted);\n\n // Table of Contents (right)\n --color-toc-background: var(--color-background-primary);\n --color-toc-title-text: var(--color-foreground-muted);\n --color-toc-item-text: var(--color-foreground-secondary);\n --color-toc-item-text--hover: var(--color-foreground-primary);\n --color-toc-item-text--active: var(--color-brand-primary);\n\n // Actual page contents\n --color-content-foreground: var(--color-foreground-primary);\n --color-content-background: transparent;\n\n // Links\n --color-link: var(--color-brand-content);\n --color-link-underline: var(--color-background-border);\n --color-link--hover: var(--color-brand-content);\n --color-link-underline--hover: var(--color-foreground-border);\n\n --color-link--visited: var(--color-brand-visited);\n --color-link-underline--visited: var(--color-background-border);\n --color-link--visited--hover: var(--color-brand-visited);\n --color-link-underline--visited--hover: var(--color-foreground-border);\n}\n\n@mixin colors-dark {\n --color-problematic: #ee5151;\n\n // Base Colors\n --color-foreground-primary: #cfd0d0; // for main text and headings\n --color-foreground-secondary: #9ca0a5; // for secondary text\n --color-foreground-muted: #81868d; // for muted text\n --color-foreground-border: #666666; // for content borders\n\n --color-background-primary: #131416; // for content\n --color-background-secondary: #1a1c1e; // for navigation + ToC\n --color-background-hover: #1e2124ff; // for navigation-item hover\n --color-background-hover--transparent: #1e212400;\n --color-background-border: #303335; // for UI borders\n --color-background-item: #444; // for \"background\" items (eg: copybutton)\n\n // Announcements\n --color-announcement-background: #000000dd;\n --color-announcement-text: #eeebee;\n\n // Brand colors\n --color-brand-primary: #3d94ff;\n --color-brand-content: #5ca5ff;\n --color-brand-visited: #b27aeb;\n\n // Highlighted text (search)\n --color-highlighted-background: #083563;\n\n // GUI Labels\n --color-guilabel-background: #08356380;\n --color-guilabel-border: #13395f80;\n\n // API documentation\n --color-api-keyword: var(--color-foreground-secondary);\n --color-highlight-on-target: #333300;\n\n --color-api-added: #3db854;\n --color-api-added-border: #267334;\n --color-api-changed: #09b0ce;\n --color-api-changed-border: #056d80;\n --color-api-deprecated: #b1a10b;\n --color-api-deprecated-border: #6e6407;\n --color-api-removed: #ff7575;\n --color-api-removed-border: #b03b3b;\n\n // Admonitions\n --color-admonition-background: #18181a;\n\n // Cards\n --color-card-border: var(--color-background-secondary);\n --color-card-background: #18181a;\n --color-card-marginals-background: var(--color-background-hover);\n}\n","// This file contains the styling for making the content throughout the page,\n// including fonts, paragraphs, headings and spacing among these elements.\n\nbody\n font-family: var(--font-stack)\npre,\ncode,\nkbd,\nsamp\n font-family: var(--font-stack--monospace)\n\n// Make fonts look slightly nicer.\nbody\n -webkit-font-smoothing: antialiased\n -moz-osx-font-smoothing: grayscale\n\n// Line height from Bootstrap 4.1\narticle\n line-height: 1.5\n\n//\n// Headings\n//\nh1,\nh2,\nh3,\nh4,\nh5,\nh6\n line-height: 1.25\n font-family: var(--font-stack--headings)\n font-weight: bold\n\n border-radius: 0.5rem\n margin-top: 0.5rem\n margin-bottom: 0.5rem\n margin-left: -0.5rem\n margin-right: -0.5rem\n padding-left: 0.5rem\n padding-right: 0.5rem\n\n + p\n margin-top: 0\n\nh1\n font-size: 2.5em\n margin-top: 1.75rem\n margin-bottom: 1rem\nh2\n font-size: 2em\n margin-top: 1.75rem\nh3\n font-size: 1.5em\nh4\n font-size: 1.25em\nh5\n font-size: 1.125em\nh6\n font-size: 1em\n\nsmall\n opacity: 75%\n font-size: 80%\n\n// Paragraph\np\n margin-top: 0.5rem\n margin-bottom: 0.75rem\n\n// Horizontal rules\nhr.docutils\n height: 1px\n padding: 0\n margin: 2rem 0\n background-color: var(--color-background-border)\n border: 0\n\n.centered\n text-align: center\n\n// Links\na\n text-decoration: underline\n\n color: var(--color-link)\n text-decoration-color: var(--color-link-underline)\n\n &:visited\n color: var(--color-link--visited)\n text-decoration-color: var(--color-link-underline--visited)\n &:hover\n color: var(--color-link--visited--hover)\n text-decoration-color: var(--color-link-underline--visited--hover)\n\n &:hover\n color: var(--color-link--hover)\n text-decoration-color: var(--color-link-underline--hover)\n &.muted-link\n color: inherit\n &:hover\n color: var(--color-link--hover)\n text-decoration-color: var(--color-link-underline--hover)\n &:visited\n color: var(--color-link--visited--hover)\n text-decoration-color: var(--color-link-underline--visited--hover)\n","// This file contains the styles for the overall layouting of the documentation\n// skeleton, including the responsive changes as well as sidebar toggles.\n//\n// This is implemented as a mobile-last design, which isn't ideal, but it is\n// reasonably good-enough and I got pretty tired by the time I'd finished this\n// to move the rules around to fix this. Shouldn't take more than 3-4 hours,\n// if you know what you're doing tho.\n\n// HACK: Not all browsers account for the scrollbar width in media queries.\n// This results in horizontal scrollbars in the breakpoint where we go\n// from displaying everything to hiding the ToC. We accomodate for this by\n// adding a bit of padding to the TOC drawer, disabling the horizontal\n// scrollbar and allowing the scrollbars to cover the padding.\n// https://www.456bereastreet.com/archive/201301/media_query_width_and_vertical_scrollbars/\n\n// HACK: Always having the scrollbar visible, prevents certain browsers from\n// causing the content to stutter horizontally between taller-than-viewport and\n// not-taller-than-viewport pages.\n\nhtml\n overflow-x: hidden\n overflow-y: scroll\n scroll-behavior: smooth\n\n.sidebar-scroll, .toc-scroll, article[role=main] *\n // Override Firefox scrollbar style\n scrollbar-width: thin\n scrollbar-color: var(--color-foreground-border) transparent\n\n // Override Chrome scrollbar styles\n &::-webkit-scrollbar\n width: 0.25rem\n height: 0.25rem\n &::-webkit-scrollbar-thumb\n background-color: var(--color-foreground-border)\n border-radius: 0.125rem\n\n//\n// Overalls\n//\nhtml,\nbody\n height: 100%\n color: var(--color-foreground-primary)\n background: var(--color-background-primary)\n\n.skip-to-content\n position: fixed\n padding: 1rem\n border-radius: 1rem\n left: 0.25rem\n top: 0.25rem\n z-index: 40\n background: var(--color-background-primary)\n color: var(--color-foreground-primary)\n\n transform: translateY(-200%)\n transition: transform 300ms ease-in-out\n\n &:focus-within\n transform: translateY(0%)\n\narticle\n color: var(--color-content-foreground)\n background: var(--color-content-background)\n overflow-wrap: break-word\n\n.page\n display: flex\n // fill the viewport for pages with little content.\n min-height: 100%\n\n.mobile-header\n width: 100%\n height: var(--header-height)\n background-color: var(--color-header-background)\n color: var(--color-header-text)\n border-bottom: 1px solid var(--color-header-border)\n\n // Looks like sub-script/super-script have this, and we need this to\n // be \"on top\" of those.\n z-index: 10\n\n // We don't show the header on large screens.\n display: none\n\n // Add shadow when scrolled\n &.scrolled\n border-bottom: none\n box-shadow: 0 0 0.2rem rgba(0, 0, 0, 0.1), 0 0.2rem 0.4rem rgba(0, 0, 0, 0.2)\n\n .header-center\n a\n color: var(--color-header-text)\n text-decoration: none\n\n.main\n display: flex\n flex: 1\n\n// Sidebar (left) also covers the entire left portion of screen.\n.sidebar-drawer\n box-sizing: border-box\n\n border-right: 1px solid var(--color-sidebar-background-border)\n background: var(--color-sidebar-background)\n\n display: flex\n justify-content: flex-end\n // These next two lines took me two days to figure out.\n width: calc((100% - #{$full-width}) / 2 + #{$sidebar-width})\n min-width: $sidebar-width\n\n// Scroll-along sidebars\n.sidebar-container,\n.toc-drawer\n box-sizing: border-box\n width: $sidebar-width\n\n.toc-drawer\n background: var(--color-toc-background)\n // See HACK described on top of this document\n padding-right: 1rem\n\n.sidebar-sticky,\n.toc-sticky\n position: sticky\n top: 0\n height: min(100%, 100vh)\n height: 100vh\n\n display: flex\n flex-direction: column\n\n.sidebar-scroll,\n.toc-scroll\n flex-grow: 1\n flex-shrink: 1\n\n overflow: auto\n scroll-behavior: smooth\n\n// Central items.\n.content\n padding: 0 $content-padding\n width: $content-width\n\n display: flex\n flex-direction: column\n justify-content: space-between\n\n.icon\n display: inline-block\n height: 1rem\n width: 1rem\n svg\n width: 100%\n height: 100%\n\n//\n// Accommodate announcement banner\n//\n.announcement\n background-color: var(--color-announcement-background)\n color: var(--color-announcement-text)\n\n height: var(--header-height)\n display: flex\n align-items: center\n overflow-x: auto\n & + .page\n min-height: calc(100% - var(--header-height))\n\n.announcement-content\n box-sizing: border-box\n padding: 0.5rem\n min-width: 100%\n white-space: nowrap\n text-align: center\n\n a\n color: var(--color-announcement-text)\n text-decoration-color: var(--color-announcement-text)\n\n &:hover\n color: var(--color-announcement-text)\n text-decoration-color: var(--color-link--hover)\n\n////////////////////////////////////////////////////////////////////////////////\n// Toggles for theme\n////////////////////////////////////////////////////////////////////////////////\n.no-js .theme-toggle-container // don't show theme toggle if there's no JS\n display: none\n\n.theme-toggle-container\n display: flex\n\n.theme-toggle\n display: flex\n cursor: pointer\n border: none\n padding: 0\n background: transparent\n\n.theme-toggle svg\n height: 1.25rem\n width: 1.25rem\n color: var(--color-foreground-primary)\n display: none\n\n.theme-toggle-header\n display: flex\n align-items: center\n justify-content: center\n\n////////////////////////////////////////////////////////////////////////////////\n// Toggles for elements\n////////////////////////////////////////////////////////////////////////////////\n.toc-overlay-icon, .nav-overlay-icon\n display: none\n cursor: pointer\n\n .icon\n color: var(--color-foreground-secondary)\n height: 1.5rem\n width: 1.5rem\n\n.toc-header-icon, .nav-overlay-icon\n // for when we set display: flex\n justify-content: center\n align-items: center\n\n.toc-content-icon\n height: 1.5rem\n width: 1.5rem\n\n.content-icon-container\n float: right\n display: flex\n margin-top: 1.5rem\n margin-left: 1rem\n margin-bottom: 1rem\n gap: 0.5rem\n\n .edit-this-page, .view-this-page\n svg\n color: inherit\n height: 1.25rem\n width: 1.25rem\n\n.sidebar-toggle\n position: absolute\n display: none\n// \n.sidebar-toggle[name=\"__toc\"]\n left: 20px\n.sidebar-toggle:checked\n left: 40px\n// \n\n.overlay\n position: fixed\n top: 0\n width: 0\n height: 0\n\n transition: width 0ms, height 0ms, opacity 250ms ease-out\n\n opacity: 0\n background-color: rgba(0, 0, 0, 0.54)\n.sidebar-overlay\n z-index: 20\n.toc-overlay\n z-index: 40\n\n// Keep things on top and smooth.\n.sidebar-drawer\n z-index: 30\n transition: left 250ms ease-in-out\n.toc-drawer\n z-index: 50\n transition: right 250ms ease-in-out\n\n// Show the Sidebar\n#__navigation:checked\n & ~ .sidebar-overlay\n width: 100%\n height: 100%\n opacity: 1\n & ~ .page\n .sidebar-drawer\n top: 0\n left: 0\n // Show the toc sidebar\n#__toc:checked\n & ~ .toc-overlay\n width: 100%\n height: 100%\n opacity: 1\n & ~ .page\n .toc-drawer\n top: 0\n right: 0\n\n////////////////////////////////////////////////////////////////////////////////\n// Back to top\n////////////////////////////////////////////////////////////////////////////////\n.back-to-top\n text-decoration: none\n\n display: none\n position: fixed\n left: 0\n top: 1rem\n padding: 0.5rem\n padding-right: 0.75rem\n border-radius: 1rem\n font-size: 0.8125rem\n\n background: var(--color-background-primary)\n box-shadow: 0 0.2rem 0.5rem rgba(0, 0, 0, 0.05), #6b728080 0px 0px 1px 0px\n\n z-index: 10\n\n margin-left: 50%\n transform: translateX(-50%)\n svg\n height: 1rem\n width: 1rem\n fill: currentColor\n display: inline-block\n\n span\n margin-left: 0.25rem\n\n .show-back-to-top &\n display: flex\n align-items: center\n\n////////////////////////////////////////////////////////////////////////////////\n// Responsive layouting\n////////////////////////////////////////////////////////////////////////////////\n// Make things a bit bigger on bigger screens.\n@media (min-width: $full-width + $sidebar-width)\n html\n font-size: 110%\n\n@media (max-width: $full-width)\n // Collapse \"toc\" into the icon.\n .toc-content-icon\n display: flex\n .toc-drawer\n position: fixed\n height: 100vh\n top: 0\n right: -$sidebar-width\n border-left: 1px solid var(--color-background-muted)\n .toc-tree\n border-left: none\n font-size: var(--toc-font-size--mobile)\n\n // Accomodate for a changed content width.\n .sidebar-drawer\n width: calc((100% - #{$full-width - $sidebar-width}) / 2 + #{$sidebar-width})\n\n@media (max-width: $content-padded-width + $sidebar-width)\n // Center the page\n .content\n margin-left: auto\n margin-right: auto\n padding: 0 $content-padding--small\n\n@media (max-width: $content-padded-width--small + $sidebar-width)\n // Collapse \"navigation\".\n .nav-overlay-icon\n display: flex\n .sidebar-drawer\n position: fixed\n height: 100vh\n width: $sidebar-width\n\n top: 0\n left: -$sidebar-width\n\n // Swap which icon is visible.\n .toc-header-icon, .theme-toggle-header\n display: flex\n .toc-content-icon, .theme-toggle-content\n display: none\n\n // Show the header.\n .mobile-header\n position: sticky\n top: 0\n display: flex\n justify-content: space-between\n align-items: center\n\n .header-left,\n .header-right\n display: flex\n height: var(--header-height)\n padding: 0 var(--header-padding)\n label\n height: 100%\n width: 100%\n user-select: none\n\n .nav-overlay-icon .icon,\n .theme-toggle svg\n height: 1.5rem\n width: 1.5rem\n\n // Add a scroll margin for the content\n :target\n scroll-margin-top: calc(var(--header-height) + 2.5rem)\n\n // Show back-to-top below the header\n .back-to-top\n top: calc(var(--header-height) + 0.5rem)\n\n // Accommodate for the header.\n .page\n flex-direction: column\n justify-content: center\n\n@media (max-width: $content-width + 2* $content-padding--small)\n // Content should respect window limits.\n .content\n width: 100%\n overflow-x: auto\n\n@media (max-width: $content-width)\n article[role=main] aside.sidebar\n float: none\n width: 100%\n margin: 1rem 0\n","// Overall Layout Variables\n//\n// Because CSS variables can't be used in media queries. The fact that this\n// makes the layout non-user-configurable is a good thing.\n$content-padding: 3em;\n$content-padding--small: 1em;\n$content-width: 46em;\n$sidebar-width: 15em;\n$content-padded-width: $content-width + 2 * $content-padding;\n$content-padded-width--small: $content-width + 2 * $content-padding--small;\n$full-width: $content-padded-width + 2 * $sidebar-width;\n","//\n// The design here is strongly inspired by mkdocs-material.\n.admonition, .topic\n margin: 1rem auto\n padding: 0 0.5rem 0.5rem 0.5rem\n\n background: var(--color-admonition-background)\n\n border-radius: 0.2rem\n box-shadow: 0 0.2rem 0.5rem rgba(0, 0, 0, 0.05), 0 0 0.0625rem rgba(0, 0, 0, 0.1)\n\n font-size: var(--admonition-font-size)\n\n overflow: hidden\n page-break-inside: avoid\n\n // First element should have no margin, since the title has it.\n > :nth-child(2)\n margin-top: 0\n\n // Last item should have no margin, since we'll control that w/ padding\n > :last-child\n margin-bottom: 0\n\n.admonition p.admonition-title,\np.topic-title\n position: relative\n margin: 0 -0.5rem 0.5rem\n padding-left: 2rem\n padding-right: .5rem\n padding-top: .4rem\n padding-bottom: .4rem\n\n font-weight: 500\n font-size: var(--admonition-title-font-size)\n line-height: 1.3\n\n // Our fancy icon\n &::before\n content: \"\"\n position: absolute\n left: 0.5rem\n width: 1rem\n height: 1rem\n\n// Default styles\np.admonition-title\n background-color: var(--color-admonition-title-background)\n &::before\n background-color: var(--color-admonition-title)\n mask-image: var(--icon-admonition-default)\n mask-repeat: no-repeat\n\np.topic-title\n background-color: var(--color-topic-title-background)\n &::before\n background-color: var(--color-topic-title)\n mask-image: var(--icon-topic-default)\n mask-repeat: no-repeat\n\n//\n// Variants\n//\n.admonition\n border-left: 0.2rem solid var(--color-admonition-title)\n\n @each $type, $value in $admonitions\n &.#{$type}\n border-left-color: var(--color-admonition-title--#{$type})\n > .admonition-title\n background-color: var(--color-admonition-title-background--#{$type})\n &::before\n background-color: var(--color-admonition-title--#{$type})\n mask-image: var(--icon-#{nth($value, 2)})\n\n.admonition-todo > .admonition-title\n text-transform: uppercase\n","// This file stylizes the API documentation (stuff generated by autodoc). It's\n// deeply nested due to how autodoc structures the HTML without enough classes\n// to select the relevant items.\n\n// API docs!\ndl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple)\n // Tweak the spacing of all the things!\n dd\n margin-left: 2rem\n > :first-child\n margin-top: 0.125rem\n > :last-child\n margin-bottom: 0.75rem\n\n // This is used for the arguments\n .field-list\n margin-bottom: 0.75rem\n\n // \"Headings\" (like \"Parameters\" and \"Return\")\n > dt\n text-transform: uppercase\n font-size: var(--font-size--small)\n\n dd:empty\n margin-bottom: 0.5rem\n dd > ul\n margin-left: -1.2rem\n > li\n > p:nth-child(2)\n margin-top: 0\n // When the last-empty-paragraph follows a paragraph, it doesn't need\n // to augument the existing spacing.\n > p + p:last-child:empty\n margin-top: 0\n margin-bottom: 0\n\n // Colorize the elements\n > dt\n color: var(--color-api-overall)\n\n.sig:not(.sig-inline)\n font-weight: bold\n\n font-size: var(--api-font-size)\n font-family: var(--font-stack--monospace)\n\n margin-left: -0.25rem\n margin-right: -0.25rem\n padding-top: 0.25rem\n padding-bottom: 0.25rem\n padding-right: 0.5rem\n\n // These are intentionally em, to properly match the font size.\n padding-left: 3em\n text-indent: -2.5em\n\n border-radius: 0.25rem\n\n background: var(--color-api-background)\n transition: background 100ms ease-out\n\n &:hover\n background: var(--color-api-background-hover)\n\n // adjust the size of the [source] link on the right.\n a.reference\n .viewcode-link\n font-weight: normal\n width: 4.25rem\n\nem.property\n font-style: normal\n &:first-child\n color: var(--color-api-keyword)\n.sig-name\n color: var(--color-api-name)\n.sig-prename\n font-weight: normal\n color: var(--color-api-pre-name)\n.sig-paren\n color: var(--color-api-paren)\n.sig-param\n font-style: normal\n\ndiv.versionadded,\ndiv.versionchanged,\ndiv.deprecated,\ndiv.versionremoved\n border-left: 0.1875rem solid\n border-radius: 0.125rem\n\n padding-left: 0.75rem\n\n p\n margin-top: 0.125rem\n margin-bottom: 0.125rem\n\ndiv.versionadded\n border-color: var(--color-api-added-border)\n .versionmodified\n color: var(--color-api-added)\n\ndiv.versionchanged\n border-color: var(--color-api-changed-border)\n .versionmodified\n color: var(--color-api-changed)\n\ndiv.deprecated\n border-color: var(--color-api-deprecated-border)\n .versionmodified\n color: var(--color-api-deprecated)\n\ndiv.versionremoved\n border-color: var(--color-api-removed-border)\n .versionmodified\n color: var(--color-api-removed)\n\n// Align the [docs] and [source] to the right.\n.viewcode-link, .viewcode-back\n float: right\n text-align: right\n",".line-block\n margin-top: 0.5rem\n margin-bottom: 0.75rem\n .line-block\n margin-top: 0rem\n margin-bottom: 0rem\n padding-left: 1rem\n","// Captions\narticle p.caption,\ntable > caption,\n.code-block-caption\n font-size: var(--font-size--small)\n text-align: center\n\n// Caption above a TOCTree\n.toctree-wrapper.compound\n .caption, :not(.caption) > .caption-text\n font-size: var(--font-size--small)\n text-transform: uppercase\n\n text-align: initial\n margin-bottom: 0\n\n > ul\n margin-top: 0\n margin-bottom: 0\n","// Inline code\ncode.literal, .sig-inline\n background: var(--color-inline-code-background)\n border-radius: 0.2em\n // Make the font smaller, and use padding to recover.\n font-size: var(--font-size--small--2)\n padding: 0.1em 0.2em\n\n pre.literal-block &\n font-size: inherit\n padding: 0\n\n p &\n border: 1px solid var(--color-background-border)\n\n.sig-inline\n font-family: var(--font-stack--monospace)\n\n// Code and Literal Blocks\n$code-spacing-vertical: 0.625rem\n$code-spacing-horizontal: 0.875rem\n\n// Wraps every literal block + line numbers.\ndiv[class*=\" highlight-\"],\ndiv[class^=\"highlight-\"]\n margin: 1em 0\n display: flex\n\n .table-wrapper\n margin: 0\n padding: 0\n\npre\n margin: 0\n padding: 0\n overflow: auto\n\n // Needed to have more specificity than pygments' \"pre\" selector. :(\n article[role=\"main\"] .highlight &\n line-height: 1.5\n\n &.literal-block,\n .highlight &\n font-size: var(--code-font-size)\n padding: $code-spacing-vertical $code-spacing-horizontal\n\n // Make it look like all the other blocks.\n &.literal-block\n margin-top: 1rem\n margin-bottom: 1rem\n\n border-radius: 0.2rem\n background-color: var(--color-code-background)\n color: var(--color-code-foreground)\n\n// All code is always contained in this.\n.highlight\n width: 100%\n border-radius: 0.2rem\n\n // Make line numbers and prompts un-selectable.\n .gp, span.linenos\n user-select: none\n pointer-events: none\n\n // Expand the line-highlighting.\n .hll\n display: block\n margin-left: -$code-spacing-horizontal\n margin-right: -$code-spacing-horizontal\n padding-left: $code-spacing-horizontal\n padding-right: $code-spacing-horizontal\n\n/* Make code block captions be nicely integrated */\n.code-block-caption\n display: flex\n padding: $code-spacing-vertical $code-spacing-horizontal\n\n border-radius: 0.25rem\n border-bottom-left-radius: 0\n border-bottom-right-radius: 0\n font-weight: 300\n border-bottom: 1px solid\n\n background-color: var(--color-code-background)\n color: var(--color-code-foreground)\n border-color: var(--color-background-border)\n\n + div[class]\n margin-top: 0\n pre\n border-top-left-radius: 0\n border-top-right-radius: 0\n\n// When `html_codeblock_linenos_style` is table.\n.highlighttable\n width: 100%\n display: block\n tbody\n display: block\n\n tr\n display: flex\n\n // Line numbers\n td.linenos\n background-color: var(--color-code-background)\n color: var(--color-code-foreground)\n padding: $code-spacing-vertical $code-spacing-horizontal\n padding-right: 0\n border-top-left-radius: 0.2rem\n border-bottom-left-radius: 0.2rem\n\n .linenodiv\n padding-right: $code-spacing-horizontal\n font-size: var(--code-font-size)\n box-shadow: -0.0625rem 0 var(--color-foreground-border) inset\n\n // Actual code\n td.code\n padding: 0\n display: block\n flex: 1\n overflow: hidden\n\n .highlight\n border-top-left-radius: 0\n border-bottom-left-radius: 0\n\n// When `html_codeblock_linenos_style` is inline.\n.highlight\n span.linenos\n display: inline-block\n padding-left: 0\n padding-right: $code-spacing-horizontal\n margin-right: $code-spacing-horizontal\n box-shadow: -0.0625rem 0 var(--color-foreground-border) inset\n","// Inline Footnote Reference\n.footnote-reference\n font-size: var(--font-size--small--4)\n vertical-align: super\n\n// Definition list, listing the content of each note.\n// docutils <= 0.17\ndl.footnote.brackets\n font-size: var(--font-size--small)\n color: var(--color-foreground-secondary)\n\n display: grid\n grid-template-columns: max-content auto\n dt\n margin: 0\n > .fn-backref\n margin-left: 0.25rem\n\n &:after\n content: \":\"\n\n .brackets\n &:before\n content: \"[\"\n &:after\n content: \"]\"\n\n dd\n margin: 0\n padding: 0 1rem\n\n// docutils >= 0.18\naside.footnote\n font-size: var(--font-size--small)\n color: var(--color-foreground-secondary)\n\naside.footnote > span,\ndiv.citation > span\n float: left\n font-weight: 500\n padding-right: 0.25rem\n\naside.footnote > *:not(span),\ndiv.citation > p\n margin-left: 2rem\n","//\n// Figures\n//\nimg\n box-sizing: border-box\n max-width: 100%\n height: auto\n\narticle\n figure, .figure\n border-radius: 0.2rem\n\n margin: 0\n :last-child\n margin-bottom: 0\n\n .align-left\n float: left\n clear: left\n margin: 0 1rem 1rem\n\n .align-right\n float: right\n clear: right\n margin: 0 1rem 1rem\n\n .align-default,\n .align-center\n display: block\n text-align: center\n margin-left: auto\n margin-right: auto\n\n // WELL, table needs to be stylised like a table.\n table.align-default\n display: table\n text-align: initial\n",".genindex-jumpbox, .domainindex-jumpbox\n border-top: 1px solid var(--color-background-border)\n border-bottom: 1px solid var(--color-background-border)\n padding: 0.25rem\n\n.genindex-section, .domainindex-section\n h2\n margin-top: 0.75rem\n margin-bottom: 0.5rem\n ul\n margin-top: 0\n margin-bottom: 0\n","ul,\nol\n padding-left: 1.2rem\n\n // Space lists out like paragraphs\n margin-top: 1rem\n margin-bottom: 1rem\n // reduce margins within li.\n li\n > p:first-child\n margin-top: 0.25rem\n margin-bottom: 0.25rem\n\n > p:last-child\n margin-top: 0.25rem\n\n > ul,\n > ol\n margin-top: 0.5rem\n margin-bottom: 0.5rem\n\nol\n &.arabic\n list-style: decimal\n &.loweralpha\n list-style: lower-alpha\n &.upperalpha\n list-style: upper-alpha\n &.lowerroman\n list-style: lower-roman\n &.upperroman\n list-style: upper-roman\n\n// Don't space lists out when they're \"simple\" or in a `.. toctree::`\n.simple,\n.toctree-wrapper\n li\n > ul,\n > ol\n margin-top: 0\n margin-bottom: 0\n\n// Definition Lists\n.field-list,\n.option-list,\ndl:not([class]),\ndl.simple,\ndl.footnote,\ndl.glossary\n dt\n font-weight: 500\n margin-top: 0.25rem\n + dt\n margin-top: 0\n\n .classifier::before\n content: \":\"\n margin-left: 0.2rem\n margin-right: 0.2rem\n\n dd\n > p:first-child,\n ul\n margin-top: 0.125rem\n\n ul\n margin-bottom: 0.125rem\n",".math-wrapper\n width: 100%\n overflow-x: auto\n\ndiv.math\n position: relative\n text-align: center\n\n .headerlink,\n &:focus .headerlink\n display: none\n\n &:hover .headerlink\n display: inline-block\n\n span.eqno\n position: absolute\n right: 0.5rem\n top: 50%\n transform: translate(0, -50%)\n z-index: 1\n","// Abbreviations\nabbr[title]\n cursor: help\n\n// \"Problematic\" content, as identified by Sphinx\n.problematic\n color: var(--color-problematic)\n\n// Keyboard / Mouse \"instructions\"\nkbd:not(.compound)\n margin: 0 0.2rem\n padding: 0 0.2rem\n border-radius: 0.2rem\n border: 1px solid var(--color-foreground-border)\n color: var(--color-foreground-primary)\n vertical-align: text-bottom\n\n font-size: var(--font-size--small--3)\n display: inline-block\n\n box-shadow: 0 0.0625rem 0 rgba(0, 0, 0, 0.2), inset 0 0 0 0.125rem var(--color-background-primary)\n\n background-color: var(--color-background-secondary)\n\n// Blockquote\nblockquote\n border-left: 4px solid var(--color-background-border)\n background: var(--color-background-secondary)\n\n margin-left: 0\n margin-right: 0\n padding: 0.5rem 1rem\n\n .attribution\n font-weight: 600\n text-align: right\n\n &.pull-quote,\n &.highlights\n font-size: 1.25em\n\n &.epigraph,\n &.pull-quote\n border-left-width: 0\n border-radius: 0.5rem\n\n &.highlights\n border-left-width: 0\n background: transparent\n\n// Center align embedded-in-text images\np .reference img\n vertical-align: middle\n","p.rubric\n line-height: 1.25\n font-weight: bold\n font-size: 1.125em\n\n // For Numpy-style documentation that's got rubrics within it.\n // https://github.com/pradyunsg/furo/discussions/505\n dd &\n line-height: inherit\n font-weight: inherit\n\n font-size: var(--font-size--small)\n text-transform: uppercase\n","article .sidebar\n float: right\n clear: right\n width: 30%\n\n margin-left: 1rem\n margin-right: 0\n\n border-radius: 0.2rem\n background-color: var(--color-background-secondary)\n border: var(--color-background-border) 1px solid\n\n > *\n padding-left: 1rem\n padding-right: 1rem\n\n > ul, > ol // lists need additional padding, because bullets.\n padding-left: 2.2rem\n\n .sidebar-title\n margin: 0\n padding: 0.5rem 1rem\n border-bottom: var(--color-background-border) 1px solid\n\n font-weight: 500\n\n// TODO: subtitle\n// TODO: dedicated variables?\n","[role=main] .table-wrapper.container\n width: 100%\n overflow-x: auto\n margin-top: 1rem\n margin-bottom: 0.5rem\n padding: 0.2rem 0.2rem 0.75rem\n\ntable.docutils\n border-radius: 0.2rem\n border-spacing: 0\n border-collapse: collapse\n\n box-shadow: 0 0.2rem 0.5rem rgba(0, 0, 0, 0.05), 0 0 0.0625rem rgba(0, 0, 0, 0.1)\n\n th\n background: var(--color-table-header-background)\n\n td,\n th\n // Space things out properly\n padding: 0 0.25rem\n\n // Get the borders looking just-right.\n border-left: 1px solid var(--color-table-border)\n border-right: 1px solid var(--color-table-border)\n border-bottom: 1px solid var(--color-table-border)\n\n p\n margin: 0.25rem\n\n &:first-child\n border-left: none\n &:last-child\n border-right: none\n\n // MyST-parser tables set these classes for control of column alignment\n &.text-left\n text-align: left\n &.text-right\n text-align: right\n &.text-center\n text-align: center\n",":target\n scroll-margin-top: 2.5rem\n\n@media (max-width: $full-width - $sidebar-width)\n :target\n scroll-margin-top: calc(2.5rem + var(--header-height))\n\n // When a heading is selected\n section > span:target\n scroll-margin-top: calc(2.8rem + var(--header-height))\n\n// Permalinks\n.headerlink\n font-weight: 100\n user-select: none\n\nh1,\nh2,\nh3,\nh4,\nh5,\nh6,\ndl dt,\np.caption,\nfigcaption p,\ntable > caption,\n.code-block-caption\n > .headerlink\n margin-left: 0.5rem\n visibility: hidden\n &:hover > .headerlink\n visibility: visible\n\n // Don't change to link-like, if someone adds the contents directive.\n > .toc-backref\n color: inherit\n text-decoration-line: none\n\n// Figure and table captions are special.\nfigure:hover > figcaption > p > .headerlink,\ntable:hover > caption > .headerlink\n visibility: visible\n\n:target >, // Regular section[id] style anchors\nspan:target ~ // Non-regular span[id] style \"extra\" anchors\n h1,\n h2,\n h3,\n h4,\n h5,\n h6\n &:nth-of-type(1)\n background-color: var(--color-highlight-on-target)\n // .headerlink\n // visibility: visible\n code.literal\n background-color: transparent\n\ntable:target > caption,\nfigure:target\n background-color: var(--color-highlight-on-target)\n\n// Inline page contents\n.this-will-duplicate-information-and-it-is-still-useful-here li :target\n background-color: var(--color-highlight-on-target)\n\n// Code block permalinks\n.literal-block-wrapper:target .code-block-caption\n background-color: var(--color-highlight-on-target)\n\n// When a definition list item is selected\n//\n// There isn't really an alternative to !important here, due to the\n// high-specificity of API documentation's selector.\ndt:target\n background-color: var(--color-highlight-on-target) !important\n\n// When a footnote reference is selected\n.footnote > dt:target + dd,\n.footnote-reference:target\n background-color: var(--color-highlight-on-target)\n",".guilabel\n background-color: var(--color-guilabel-background)\n border: 1px solid var(--color-guilabel-border)\n color: var(--color-guilabel-text)\n\n padding: 0 0.3em\n border-radius: 0.5em\n font-size: 0.9em\n","// This file contains the styles used for stylizing the footer that's shown\n// below the content.\n\nfooter\n font-size: var(--font-size--small)\n display: flex\n flex-direction: column\n\n margin-top: 2rem\n\n// Bottom of page information\n.bottom-of-page\n display: flex\n align-items: center\n justify-content: space-between\n\n margin-top: 1rem\n padding-top: 1rem\n padding-bottom: 1rem\n\n color: var(--color-foreground-secondary)\n border-top: 1px solid var(--color-background-border)\n\n line-height: 1.5\n\n @media (max-width: $content-width)\n text-align: center\n flex-direction: column-reverse\n gap: 0.25rem\n\n .left-details\n font-size: var(--font-size--small)\n\n .right-details\n display: flex\n flex-direction: column\n gap: 0.25rem\n text-align: right\n\n .icons\n display: flex\n justify-content: flex-end\n gap: 0.25rem\n font-size: 1rem\n\n a\n text-decoration: none\n\n svg,\n img\n font-size: 1.125rem\n height: 1em\n width: 1em\n\n// Next/Prev page information\n.related-pages\n a\n display: flex\n align-items: center\n\n text-decoration: none\n &:hover .page-info .title\n text-decoration: underline\n color: var(--color-link)\n text-decoration-color: var(--color-link-underline)\n\n svg.furo-related-icon,\n svg.furo-related-icon > use\n flex-shrink: 0\n\n color: var(--color-foreground-border)\n\n width: 0.75rem\n height: 0.75rem\n margin: 0 0.5rem\n\n &.next-page\n max-width: 50%\n\n float: right\n clear: right\n text-align: right\n\n &.prev-page\n max-width: 50%\n\n float: left\n clear: left\n\n svg\n transform: rotate(180deg)\n\n.page-info\n display: flex\n flex-direction: column\n overflow-wrap: anywhere\n\n .next-page &\n align-items: flex-end\n\n .context\n display: flex\n align-items: center\n\n padding-bottom: 0.1rem\n\n color: var(--color-foreground-muted)\n font-size: var(--font-size--small)\n text-decoration: none\n","// This file contains the styles for the contents of the left sidebar, which\n// contains the navigation tree, logo, search etc.\n\n////////////////////////////////////////////////////////////////////////////////\n// Brand on top of the scrollable tree.\n////////////////////////////////////////////////////////////////////////////////\n.sidebar-brand\n display: flex\n flex-direction: column\n flex-shrink: 0\n\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)\n text-decoration: none\n\n.sidebar-brand-text\n color: var(--color-sidebar-brand-text)\n overflow-wrap: break-word\n margin: var(--sidebar-item-spacing-vertical) 0\n font-size: 1.5rem\n\n.sidebar-logo-container\n margin: var(--sidebar-item-spacing-vertical) 0\n\n.sidebar-logo\n margin: 0 auto\n display: block\n max-width: 100%\n\n////////////////////////////////////////////////////////////////////////////////\n// Search\n////////////////////////////////////////////////////////////////////////////////\n.sidebar-search-container\n display: flex\n align-items: center\n margin-top: var(--sidebar-search-space-above)\n\n position: relative\n\n background: var(--color-sidebar-search-background)\n &:hover,\n &:focus-within\n background: var(--color-sidebar-search-background--focus)\n\n &::before\n content: \"\"\n position: absolute\n left: var(--sidebar-item-spacing-horizontal)\n width: var(--sidebar-search-icon-size)\n height: var(--sidebar-search-icon-size)\n\n background-color: var(--color-sidebar-search-icon)\n mask-image: var(--icon-search)\n\n.sidebar-search\n box-sizing: border-box\n\n border: none\n border-top: 1px solid var(--color-sidebar-search-border)\n border-bottom: 1px solid var(--color-sidebar-search-border)\n\n padding-top: var(--sidebar-search-input-spacing-vertical)\n padding-bottom: var(--sidebar-search-input-spacing-vertical)\n padding-right: var(--sidebar-search-input-spacing-horizontal)\n padding-left: calc(var(--sidebar-item-spacing-horizontal) + var(--sidebar-search-input-spacing-horizontal) + var(--sidebar-search-icon-size))\n\n width: 100%\n\n color: var(--color-sidebar-search-foreground)\n background: transparent\n z-index: 10\n\n &:focus\n outline: none\n\n &::placeholder\n font-size: var(--sidebar-search-input-font-size)\n\n//\n// Hide Search Matches link\n//\n#searchbox .highlight-link\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal) 0\n margin: 0\n text-align: center\n\n a\n color: var(--color-sidebar-search-icon)\n font-size: var(--font-size--small--2)\n\n////////////////////////////////////////////////////////////////////////////////\n// Structure/Skeleton of the navigation tree (left)\n////////////////////////////////////////////////////////////////////////////////\n.sidebar-tree\n font-size: var(--sidebar-item-font-size)\n margin-top: var(--sidebar-tree-space-above)\n margin-bottom: var(--sidebar-item-spacing-vertical)\n\n ul\n padding: 0\n margin-top: 0\n margin-bottom: 0\n\n display: flex\n flex-direction: column\n\n list-style: none\n\n li\n position: relative\n margin: 0\n\n > ul\n margin-left: var(--sidebar-item-spacing-horizontal)\n\n .icon\n color: var(--color-sidebar-link-text)\n\n .reference\n box-sizing: border-box\n color: var(--color-sidebar-link-text)\n\n // Fill the parent.\n display: inline-block\n line-height: var(--sidebar-item-line-height)\n text-decoration: none\n\n // Don't allow long words to cause wrapping.\n overflow-wrap: anywhere\n\n height: 100%\n width: 100%\n\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)\n\n &:hover\n color: var(--color-sidebar-link-text)\n background: var(--color-sidebar-item-background--hover)\n\n // Add a nice little \"external-link\" arrow here.\n &.external::after\n content: url('data:image/svg+xml,')\n margin: 0 0.25rem\n vertical-align: middle\n color: var(--color-sidebar-link-text)\n\n // Make the current page reference bold.\n .current-page > .reference\n font-weight: bold\n\n label\n position: absolute\n top: 0\n right: 0\n height: var(--sidebar-item-height)\n width: var(--sidebar-expander-width)\n\n cursor: pointer\n user-select: none\n\n display: flex\n justify-content: center\n align-items: center\n\n .caption, :not(.caption) > .caption-text\n font-size: var(--sidebar-caption-font-size)\n color: var(--color-sidebar-caption-text)\n\n font-weight: bold\n text-transform: uppercase\n\n margin: var(--sidebar-caption-space-above) 0 0 0\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)\n\n // If it has children, add a bit more padding to wrap the content to avoid\n // overlapping with the

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