RIAssigner.cli

Submodules

Functions

create_method(method_name)

Create a computation method instance.

load_data(filename, filetype, rt_unit)

Load data from file and create a Data instance.

Package Contents

RIAssigner.cli.create_method(method_name)[source]

Create a computation method instance.

Parameters:

method_name (str) – Name of the method. Supported methods are ‘kovats’ and ‘cubicspline’.

Returns:

Computation method instance.

Return type:

ComputationMethod

RIAssigner.cli.load_data(filename, filetype, rt_unit)[source]

Load data from file and create a Data instance.

Parameters:
  • filename (str) – Path to the data file.

  • filetype (str) – Type of the data file. Supported types are ‘msp’, ‘csv’, ‘tsv’, ‘tabular’, ‘parquet’.

  • rt_unit (str) – Retention time unit.

Returns:

Data instance.

Return type:

Data