SimulationStatus
Simulation status hierarchy enum.
Status progresses through these stages in order: BUILD -> EQUILIBRATED -> PRODUCTION -> COMPLETED
Each status indicates what output files exist:
- BUILD: Valid build folder with YAML, but no simulation outputs
- EQUILIBRATED: min.gro, nvt.gro, npt.gro all exist
- PRODUCTION: prod.xtc exists (but no prod.gro)
- COMPLETED: prod.gro exists
Attributes
attributeBUILD= 'build'attributeEQUILIBRATED= 'equilibrated'attributePRODUCTION= 'production'attributeCOMPLETED= 'completed'Functions
funcget_order(cls) → list[str]Get status values in hierarchy order (lowest to highest).
paramclsReturns
list[str]funcget_index(cls, status) → intGet the index of a status in the hierarchy.
paramclsparamstatusstrStatus string value
Returns
intIndex in hierarchy (0 = BUILD, 3 = COMPLETED)