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def molfile_name(molfile: str): |
@hunter-moseley @JinHuan95 This method can only load files saved in a regular directory as compared to molfiles saved in a ZIP archive. We could add an option where if the substring contains .zip:, we can assume it's in a ZIP archive and what comes after the colon : is the name of the molfile and what comes before the colon is the path to the ZIP archive. Otherwise we load the molfile as normal.
If we think this is a good idea, I could make a PR for this as I think it would be a pretty simple update. It looks like I have the ability to fork this repo as an alternative to giving me write-access.
md_harmonize/src/md_harmonize/compound.py
Line 348 in 5ad3ef1
@hunter-moseley @JinHuan95 This method can only load files saved in a regular directory as compared to molfiles saved in a ZIP archive. We could add an option where if the substring contains
.zip:, we can assume it's in a ZIP archive and what comes after the colon:is the name of the molfile and what comes before the colon is the path to the ZIP archive. Otherwise we load the molfile as normal.If we think this is a good idea, I could make a PR for this as I think it would be a pretty simple update. It looks like I have the ability to fork this repo as an alternative to giving me write-access.
