Template: Package-style digestion

Use this template when the library will store one digester per argument under a package.

Goal

• Each argument has a file digest_<argument> in _private/digestion/argument/.

• ArgDigest discovers digesters via digestion_style="package".

Required structure

my_lib/
  _argdigest.py
  _private/
    digestion/
      argument/
        __init__.py
        selection.py
        atom_index.py
      normalization/
        __init__.py
        standardizer.py

Library config (my_lib/_argdigest.py)

DIGESTION_SOURCE = "my_lib._private.digestion.argument"
DIGESTION_STYLE = "package"
STANDARDIZER = "my_lib._private.digestion.normalization.standardizer:standardizer"
STRICTNESS = "warn"
SKIP_PARAM = "skip_digestion"
PUW_CONTEXT = {"standard_units": ["nm", "ps"]} # Optional: for Science libraries

Programmatic config alternative (my_lib/__init__.py)

import argdigest.config

argdigest.config.set_defaults(
    digestion_source="my_lib._private.digestion.argument",
    digestion_style="package",
    strictness="warn"
)

Digester template (selection.py)

def digest_selection(selection, syntax="MyLib", caller=None):
    # Use standard pipelines internally if needed
    # from argdigest.pipelines.coercers import to_list
    # selection = to_list(selection)
    
    if selection is None:
        return "all"
    ...

Usage in public API

from argdigest import arg_digest

@arg_digest(config="my_lib._argdigest")
def get(molecular_system, selection=None, syntax="MyLib", skip_digestion=False):
    ...

Notes

• If @arg_digest() is used without config, ArgDigest auto-detects my_lib._argdigest.

• Digesters can depend on other arguments (e.g., syntax) and ArgDigest resolves them.