Index

PackageManagerABC(data[, hook]) A class for managing qmflows-style jobs.
PackageManager(data[, hook]) A class for managing qmflows-style jobs.

API

class FOX.armc.PackageManagerABC(data, hook=None, **kwargs)[source]

A class for managing qmflows-style jobs.

property hook

Get or set the hook attribute.

property data

A property containing this instance’s underlying dict.

The getter will simply return the attribute’s value. The setter will validate and assign any mapping or iterable containing of key/value pairs.

keys()[source]

Return a set-like object providing a view of this instance’s keys.

items()[source]

Return a set-like object providing a view of this instance’s key/value pairs.

values()[source]

Return an object providing a view of this instance’s values.

get(key, default=None)[source]

Return the value for key if it’s available; return default otherwise.

abstract static assemble_job(job, **kwargs)[source]

Assemble a PkgDict into an actual job.

abstract clear_jobs(**kwargs)[source]

Delete all jobs located in _job_cache.

abstract update_settings(dct, **kwargs)[source]

Update the Settings embedded in this instance using dct.

class FOX.armc.PackageManager(data, hook=None)[source]

A class for managing qmflows-style jobs.

static assemble_job(job, old_results=None, name=None)[source]

(scheduled) Create a PromisedObject from a qmflow Package instance.

static clear_jobs()[source]

Delete all jobs.

update_settings(dct, new_keys=True)[source]

Update all forcefield parameter blocks in this instance’s CP2K settings.