Fix formatting and inconsistencies between CSV and SMI#5
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@fbaensch-beilstein did you see this? |
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@cthoyt Oh sorry, I was very busy the last weeks and haven't seen your PR. I will have a look at it asap. |
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@cthoyt Sorry for making you go to the trouble of doing the (automated) comparison and then me just throwing out the csv. |
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This PR does the following:
Fixes inconsistencies in the CSV format. This happened for a record that had a comma in the label (2,6-(CH3)2C6H3) and for one where a space in the label caused misencoding (Py 2)Add 14 abbreviations that appeared in the SMI file to the CSV fileAdd a script that checks that the CSV and SMI files are parsable and synced (Along with including it in the GitHub Actions workflow)Unfortunately, this PR became stale because the csv file was deleted from the main branch before review of this PR, so I updated it accordingly.