FAIRmat-NFDI / nomad-parser-plugin-boss / 35441636266

99%

main: 99%

Pull #92

github

Represent a BOSS run as a NOMAD workflow graph

Surface the optimization as archive.workflow2: a serial chain of objective
evaluations (eval_1 -> ... -> eval_N) ending in the predicted global minimum,
with edges drawn by shared section identity (a task's output and the next
task's input reference the same Evaluation instance).

Add Evaluation (carrying a forward-compatible `computation` reference seam for
a future online recommend -> compute -> feedback loop) and PredictedMinimum
sections, populated from the acquisition history; assemble the Workflow / Task
/ Link chain in normalize. Node labels carry the BOSS iteration so the
per-iteration batch structure is visible.

27 of 27 new or added lines in 1 file covered. (100.0%)

355 of 358 relevant lines covered (99.16%)

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