MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.
https://molssi.github.io/QCFractal/
BSD 3-Clause "New" or "Revised" License
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Add ability to get status overview of child records #792

Closed bennybp closed 8 months ago

bennybp commented 8 months ago

Description

This adds the ability to get the status counts of 'child' records (for example, optimizations as part of a torsiondrive or gridoptimization service). See Issue #791

It should be noted that most services generate records as needed, so the status that is returned is not indicative of progress (ie, if there is only one record remaining to be run, it is not guaranteed that that is the last remaining calculation to be run - others may be generated after that is completed).

Status can be obtained with the record.children_status property. This is available on all record types, although Singlepoint records will always return an empty dictionary.

Changelog description

Add ability to get status overview of child records

Status