cagey.ReactionKey

class cagey.ReactionKey(experiment, plate, formulation_number)

Bases: object

A unique identifier for a reaction.

Parameters:

• experiment (str) – The name of the experiment.

• plate (int) – The plate number.

• formulation_number (int) – The formulation number.

Methods

from_json_file	Create from a JSON file.
from_ms_path	Create from a mass spectrum path.
from_title_file	Create from a title file.

Attributes

experiment	The name of the experiment.
plate	The plate number.
formulation_number	The formulation number.

static from_json_file(json_file)

Create from a JSON file.

The JSON file should contain the "experiment", "plate", and "formulation_number" keys.

Parameters:

json_file (Path) – The path to the JSON file.

Returns:

A reaction key.

Return type:

ReactionKey

static from_ms_path(path)

Create from a mass spectrum path.

Parameters:

path (Path) – The path to the mass spectrum directory.

Returns:

A reaction key.

Return type:

ReactionKey

static from_title_file(title_file)

Create from a title file.

The title file should contain the experiment, plate, and formulation number in the following format experiment_plate_formulation_number.

Parameters:

title_file (Path) – The path to the title file.

Returns:

A reaction key.

Return type:

ReactionKey

experiment: str

The name of the experiment.

formulation_number: int

The formulation number.

plate: int

The plate number.