uclchem.tests

Collection of tests for UCLCHEM.

Deprecated

Module Contents

Functions

test_ode_conservation(→ dict[str, float])

Test whether the ODEs conserve elements.

uclchem.tests.test_ode_conservation(element_list: list[str] | None = None) → dict[str, float]

Test whether the ODEs conserve elements.

Useful to run each time you change network. Integrator errors may still cause elements not to be conserved but they cannot be conserved if the ODEs are not correct.

Parameters:

element_list (list[str] | None) – A list of elements for which to check the conservation. If None, use uclchem.constants.default_elements_to_check. Default = None.

Returns:

result – A dictionary of the elements in element list with values representing the total change of each element.

Return type:

dict[str, float]