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Add structure name option to MD CLI #138

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merged 4 commits into from May 8, 2024

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ElliottKasoar
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This doesn't resolve #129, but I think it addresses setting the structure name more straightforwardly than #136.

I would suggest we either remove file_prefix, or (preferably, in my opinion) fix the results/final files that no longer respect use it in the way other files do.

@ElliottKasoar ElliottKasoar added the enhancement New feature or request label May 8, 2024
tests/test_md_cli.py Outdated Show resolved Hide resolved
Co-authored-by: Jacob Wilkins <46597752+oerc0122@users.noreply.github.com>
janus_core/cli/md.py Outdated Show resolved Hide resolved
oerc0122
oerc0122 previously approved these changes May 8, 2024
tests/test_md_cli.py Outdated Show resolved Hide resolved
Co-authored-by: Jacob Wilkins <46597752+oerc0122@users.noreply.github.com>
@alinelena alinelena merged commit 558a8f5 into stfc:main May 8, 2024
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@ElliottKasoar ElliottKasoar deleted the add-struct-name branch May 8, 2024 11:04
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file prefix results in inconsistent naming
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