casanovoutils.residues#

Utilities for loading and distributing the amino acid residue mass vocabulary.

Attributes#

`get_residues`(→ dict[str, float])	Load a mapping of amino acid residue names to masses from a YAML file.
`dump_residues`(→ None)	Copy the default `residues.yaml` file included with this package to a
`main`(→ None)

casanovoutils.residues.get_residues(residues_path: os.PathLike | None = None) → dict[str, float]#

Load a mapping of amino acid residue names to masses from a YAML file.

If residues_path is not provided, the function loads a default residues.yaml file located in the same directory as this module.

Parameters:: residues_path (PathLike, optional) – Path to a YAML file containing residue mass information. If None (default), the bundled residues.yaml file is used.
Returns:: A dictionary mapping residue identifiers (typically one-letter or multi-character amino acid codes) to their corresponding masses.
Return type:: dict[str, float]

casanovoutils.residues.dump_residues(destination_path: os.PathLike) → None#

Copy the default residues.yaml file included with this package to a specified destination.

Parameters:: destination_path (PathLike) – Path to copy the YAML file to. May be a directory or a file path.
Return type:: None