stilt.Project.simulation#

Project.simulation(receptor_id, variant, realization=None)[source]#

Return one simulation: a receptor under a variant, and a realization of an ensemble.

A simulation is a value built from its receptor, its variant, and the output directory, so it is cheap. It knows where its results are and loads them.

Raises:

  • KeyError – If the project has no such receptor or variant.

  • ValueError – If realization is not one the variant runs as: 0 to N - 1 for realizations: N, None otherwise.

Return type:

Simulation

Parameters:

  • receptor_id (str)

  • variant (str)

  • realization (int | None)