mispr.hybrid.firetasks package¶
Submodules¶
mispr.hybrid.firetasks.nmr_from_md module¶
- class mispr.hybrid.firetasks.nmr_from_md.NMRFromMD(*args, **kwargs)[source]¶
Bases:
FiretaskBase- run_task(fw_spec)[source]¶
This method gets called when the Firetask is run. It can take in a Firework spec, perform some task using that data, and then return an output in the form of a FWAction.
- Parameters:¶
- fw_spec : dict¶
A Firework spec. This comes from the master spec. In addition, this spec contains a special “_fw_env” key that contains the env settings of the FWorker calling this method. This provides for abstracting out certain commands or settings. For example, “foo” may be named “foo1” in resource 1 and “foo2” in resource 2. The FWorker env can specify { “foo”: “foo1”}, which maps an abstract variable “foo” to the relevant “foo1” or “foo2”. You can then write a task that uses fw_spec[“_fw_env”][“foo”] that will work across all these multiple resources.
- Returns:¶
(FWAction)