On branch modify_write_cif#11
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Changes to be committed: modified: BUCToolkit/Preprocessing/write_files.py Added `append_suffix` argument to `write_cif` function, which allows appending '.cif' suffix to file names in `file_name_list`. This is useful when the provided file names do not have the suffix, and we want to ensure that the output files are saved with the correct extension.
TrinitroCat
approved these changes
Apr 18, 2026
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Changes to be committed: modified: BUCToolkit/Preprocessing/write_files.py Added
append_suffixargument towrite_ciffunction, which allows appending '.cif' suffix to file names infile_name_list. This is useful when the provided file names do not have the suffix, 和 we want to ensure that the output files are saved with the correct extension.