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Run specification (info TOML)

Every fit run can write an info TOML file next to the rates and measures files (same stem, .toml extension). For example, rates_myrun.txt is accompanied by info_myrun.toml. This file records everything needed to reproduce or vary the run.

Key-based naming

When you pass key = "identifier" to fit, all output files use that stem:

  • rates_identifier.txt
  • info_identifier.toml
  • measures_identifier.txt, param-stats_identifier.txt, etc.

Without key, the existing long naming (e.g. rates_label_gene_cond_model_nalleles.txt) is used unchanged. Both conventions are supported; no migration is required.

Contents of the info TOML

The file has four top-level sections:

SectionDescription
[run]Full set of fit arguments (datapath, G, R, S, transitions, coupling, nchains, samplesteps, noisepriors, etc.). Keys match fit(; kwargs...) names.
[output]Key results from the run (e.g. llml, accept, total, median_param).
[model_info]Model metadata (e.g. rate_labels, interval).
[environment]julia_version, threads (for replication).

Unset or optional arguments are stored as the string "nothing"; when the file is read back, "nothing" is interpreted as Julia nothing.

Coupling is stored as coupling_unit_model and coupling_connections in [run] (format (unit_model, connections) with each connection (β, s, α, t)).

Full run state for fit(; key=...) is read from the companion JLD2 file (same stem as the marker TOML). When batch helpers call write_run_spec_preset, legacy trace_specs[].t_end values from old merged specs (historical huge “open end” markers) are normalized to -1.0 via normalize_trace_specs_legacy_t_end! before writing—see Cluster and batch workflows.

Starting a fit from a TOML file

Pass key = "identifier" to load the run specification from info_<key>.toml in the results folder. The results folder is folder_path(resultfolder, root, "results"); set resultfolder and root in the call if needed. All run options are read from the TOML's [run] section; any keyword arguments you pass to fit override those values.

  • If the rates file rates_<key>.txt exists in that results folder, it is used as initial rates (warm start).
# Run using spec from info_myrun.toml (if it exists in resultfolder/root/results)
fit(key = "myrun", resultfolder = "myfolder", root = ".")

# Override options (same key, same output stem)
fit(key = "myrun", resultfolder = "myfolder", nchains = 4, samplesteps = 50_000)

Programmatic use

using StochasticGene

# Load the run spec as a dictionary
spec = read_run_spec("results/myfolder/info_myrun.toml")
fit(; spec..., nchains = 4)

# Find the info TOML path for a given rates file
toml_path = info_toml_path_for_rates_file("results/myfolder/rates_myrun.txt")
# returns "results/myfolder/info_myrun.toml"

# Load spec from the rates file's companion TOML (if it exists)
spec = read_run_spec_for_rates_file("results/myfolder/rates_myrun.txt")

See also