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CLI: Allow globs for paths about openfe HOT 2 OPEN

richardjgowers avatar richardjgowers commented on August 15, 2024
CLI: Allow globs for paths

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Comments (2)

mikemhenry avatar mikemhenry commented on August 15, 2024

Just to clarify, you want the glob expansion to happen in the cli tool and not in the shell? Or are you saying -M should take a list (I think that is what you mean)

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dwhswenson avatar dwhswenson commented on August 15, 2024

Taking a list is a bad idea. It creates ambiguities with params that don't take flags, which is why this isn't how most tools do that. For example: openfe quickrun -M ligand1.sdf ligand2.sdf transformation.json becomes ambiguous when parsing (how does it know that transformation.json isn't also for the -M?) We could rewrite a click's parser to check and group by file extensions, but that seems like a lot of work.

Using glob within the CLI parameter is reasonable, but I'd like to avoid losing too much of click's validation.

Also, -M can take a directory. Just put the files in a directory.

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