5.2. Workflows Registry

Added in version 0.9.0.

5.2.1. 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.

Currently supported automated workflows.

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 which EnsembleAnalysis 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 corresponding EnsembleAnalysis, 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

base