sphuber / aiida-shell

AiiDA plugin that makes running shell commands easy.
MIT License
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`ShellParser`: Add support to parse output directory as `FolderData` #31

Closed sphuber closed 1 year ago

sphuber commented 1 year ago

So far, the outputs input could specify filepaths, which if it matched a file, it would be wrapped as a SinglefileData and attached as an output of the ShellJob. Here, support is added that if the output filepath corresponds to a directory, it is wrapped as a FolderData instead.

The launch_shell_job function is updated to return all output nodes in the results dictionaries except for the remote_folder and the retrieved outputs. This filtering used to be done on the type of the output node since before only SinglefileData could be returned anyway besides the remote_folder and retrieved outputs, but now that FolderData nodes can also be parsed this filtering had to be updated.