7.2. Workflows Registry¶
New in version 0.9.0.
7.2.1. mdpow.workflows.registry
— Registry of currently supported automated workflows¶
The mdpow.workflows.registry
module hosts a dictionary with keys that correspond to an
EnsembleAnalysis
for which exists a corresponding automated workflow.
key/keyword: EnsembleAnalysis | value: <workflow module>.<top-level automated analysis function> |
---|---|
DihedralAnalysis | dihedrals.automated_dihedral_analysis |
-
mdpow.workflows.registry.
registry
= {'DihedralAnalysis': <function automated_dihedral_analysis>}¶ In the registry, each entry corresponds to an
EnsembleAnalysis
for which exists a corresponding automated workflow.Intended for use with
mdpow.workflows.base
to specify whichEnsembleAnalysis
should run iteratively over the provided project data directory.To include a new automated workflow for use with
mdpow.workflows.base
, create a key that is the name of the correspondingEnsembleAnalysis
, with the value defined as <workflow module>.<top-level automated analysis function>.The available automated workflows (key-value pairs) are listed in the following table Currently supported automated workflows.
See also