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enable LINs for remaining tax utilities #2499

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bluegenes opened this issue Mar 3, 2023 · 1 comment
Open

enable LINs for remaining tax utilities #2499

bluegenes opened this issue Mar 3, 2023 · 1 comment

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@bluegenes
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with #2469 and #2496 we will introduce utilities for using the LIN taxonomic framework and enable it for several tax utilities, most critically, tax metagenome.

Three remain to fully utilize LINs:

  • tax genome
  • tax prepare
  • tax grep
@bluegenes
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tax genome is in #2519

bluegenes added a commit that referenced this issue Apr 5, 2023
)

## Add taxonomic utilities for LINs; enable and test `tax metagenome`

With taxonomy refactoring (#2437, #2439, #2443, #2446, #2466, #2467), we
are (mostly) no longer tied to named ranks. Here, I add a class for LIN
taxonomies and use it within `tax metagenome` to allow summarization up
LINs and reporting at specified `lingroups`.

With this PR, users can now use the flag `--lins` to read and use `lin`
taxonomies from the provided tax (`-t`, `--taxonomy`) file. If used,
`sourmash tax` will look for a `lin` column in the taxonomy file instead
of looking for `superkingdom`...`strain` columns. The `lin` column
should contain `;`-separated LINs, preferably with a standard number of
positions (e.g. all 20 positions in length or all 10 positions in
length).

For `tax metagenome`:

By default, `tax metagenome` will summarize up _all_ available ranks/LIN
positions. If a `lingroup` file is provided, we will also report a
subset of this summary: just the LIN prefixes that match groups in the
`lingroup` file. The `lingroup` file requires two columns in any order:
`name`, the name of the group, and `lin`, the lin prefix of the group.
The prefix will be used to select results from the full summary for
reporting. The `lingroup` format will build a file with the following
name: `{base}.lingroup.tsv`, where `{base}` is the name provided via the
`-o`,` --output-base` option.

## Demo / Tutorial

A draft tutorial is available
[here](https://sourmash--2469.org.readthedocs.build/en/2469/tutorial-lin-taxonomy.html).
Note that it does not contain the installation info for this branch (see
below). You can run the interactive version via binder
[here](https://mybinder.org/v2/gh/bluegenes/2023-demo-sourmash-LIN/HEAD?labpath=sourmash-lin-demo.ipynb)


## Testing

### Option A: Use the Demo Binder

You can test via the
[binder](https://mybinder.org/v2/gh/bluegenes/2023-demo-sourmash-LIN/HEAD?labpath=sourmash-lin-demo.ipynb).
You can add new cells or modify any existing cells, and even download
additional files for testing. The downside is that you'll have to make
sure to download and save your results, since the binder won't save them
for you.

### Option B: Alternatively, install on your own computer/cluster: 
Here is one way to test this code before it gets fully integrated into
sourmash:
- If you don't have conda, I'd recommend installing `mamba`,
[instructions
here](https://mamba.readthedocs.io/en/latest/installation.html) instead.
- if you do have `mamba`, replace the word `conda` with `mamba` in the
following commands.

Download an environment file that points to this branch:
```
curl -JLO https://raw.githubusercontent.com/bluegenes/2023-demo-sourmash-LIN/main/sourmashLIN.yml
```
Create a virtual environment using this file:
```
conda env create -f sourmashLIN.yml
```
Activate that environment:
```
conda activate smashLIN
```
make sure `--lins` is in the `--help` for `sourmash tax metagenome`:
```
sourmash tax metagenome --help
```



## Command to run

The command to run is this one: 

```
sourmash tax metagenome -g $gather_csv  -t $taxonomy_csv \
                        --lins --lingroup $lingroups_csv
```

## Types of files you'll need

1. sketches of query metagenome
2. sketches of reference genomes (database)
3. taxonomy file with LIN information (two columns required: `ident`,
`lin`)
4. lingroup information file (two columns required: `name`, `lin`) 


To exit the environment when you're done testing, use `conda deactivate`

> Reminder, if you have `mamba`, you can use it in place of `conda` in
the commands above.


example `lingroup` output format. Note that the `1;0`.. paths are always
grouped together, but may come before or after the `0;0` and `2;0`
groups.

```
name	lin	percent_containment	num_bp_contained
lg3	2;0;0	1.56	192000
lg1	0;0;0	5.82	714000
lg2	1;0;0	5.05	620000
lg3	1;0;1	0.65	80000
lg4	1;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0	0.65	80000
```

```
name	lin	percent_containment	num_bp_contained
lg2	1;0;0	5.05	620000
lg3	1;0;1	0.65	80000
lg4	1;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0	0.65	80000
lg1	0;0;0	5.82	714000
lg3	2;0;0	1.56	192000
```


## A few implementation details:

- In `tax_utils.py`, I add a `LINLineageInfo` class for using and
manipulated LIN taxonomies. It implements new methods to enable
specifically reading in `LIN` taxonomies into the class, but otherwise
uses the taxonomic utilities available in `BaseLineageInfo`, e.g.
taxonomic summarization up ranks, assessing whether two taxonomies are a
match at a given rank.
- In `tax_utils.py`, I add functionality for reading `lingroup`
information and reporting taxonomic summarization specifically at these
ranks.

Changes and Additions:
- [x] Add `LINLineageInfo` for working with `LIN` taxonomies
- [x] Add method for reading `LIN`s into `LineageDB`
- [x] Add methods for reading `LINgroups` and summarizing to these
- [x] Add LineageTree that can use `LineageInfo` to perform
`build_tree`, `find_lca` functions (originally in `lca_utils.py`) and
produce an ordered list of lineage paths
- [x] Add code + tests to use `LIN`s taxonomy in:
  - [x] tax metagenome
  - [x] tax annotate
  - [x] tax summarize
 
The following require additional changes and will be punted to an
issue/separate PR (see #2499):
  - tax genome
  - tax prepare
  - tax grep

---------

Co-authored-by: C. Titus Brown <titus@idyll.org>
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