More specific errors during bulk upload would be useful, in particular knowing what character is causing a parsing error or its location and knowing which .magres files are invalid would be useful for streamlining the process especially for very large archives
Other added notifications would also be useful, in particular, new versions of files can be created even with no changes made and there is no visual indicator a change has gone through, plus the site must be completely refreshed for changes to be seen, so it can be unclear if an edit has worked and a lot of accidental and identical versions of entries may be made
One of the error messages during bulk upload has a very minor typo, reading “Invalid .csv file in archive: all rows must include a valid filename asfirst entry with ” “asfirst” instead of “as first”, this is encountered when a column name has been changed from the template file
The template info.CSV file needs to be called exactly that or it is ignored, and all files uploaded are given the default information, this isn’t noted anywhere, also a warning if an archive is being uploaded without an associated metadata file would also prevent any future issues – especially as uploaders can’t edit in bulk after first upload or edit the chemical name of any uploads at all
The “Your Files” section that lists all files uploaded by the logged in user breaks after a certain number of uploads due to a time-out error and should be fixed
The base unit cell formula search allows structures with multiples of a search to be returned, for example C4H5 will return a unit cell structure of C8H10 but this seems to have some bugs when additional elements are allowed. For example, MRD0000006 has unit cell formula C28H28O6 and a search (allowing additional elements) for C44H52 will return this but a search for C44H52O will not (adding more oxygen atoms to the query did not seem to help)
Some changes to the UI have been suggested, for example showing the external database reference code and the additional structural descriptors (the latter especially as it contains any important tags) in the shorter entry that appears after first search instead of the uploader
Other errors include functionalities intended for future implementation such as NOT and OR searches and the ability to search by MRD number
In GitLab by @brownsp on Nov 10, 2021, 15:27