When parsing.py is searching for the unit cells, it uses the regex [A-Z][A-Z0-9]\d\d\d, which matches for CD and TD unit cells. However, the T21 unit cells are in the format T200, T201 etc so this regex fails to find them. I recommend changing line 907 in parsing.py to [A-Z][A-Z0-9]\d{2,3}
This also causes issues with assembly.py, as the regex again requires the unit cells to have 5 characters. I recommend changing line 1470 to gro_df.filter(regex=f"[A-Z]([A-Z]|[0-9])*{uc_id}", axis=0) [added an asterisk]] so that the digit after the letter is optional
Either that or rename the unit cells.
When parsing.py is searching for the unit cells, it uses the regex
[A-Z][A-Z0-9]\d\d\d, which matches for CD and TD unit cells. However, the T21 unit cells are in the format T200, T201 etc so this regex fails to find them. I recommend changing line 907 in parsing.py to[A-Z][A-Z0-9]\d{2,3}This also causes issues with assembly.py, as the regex again requires the unit cells to have 5 characters. I recommend changing line 1470 to
gro_df.filter(regex=f"[A-Z]([A-Z]|[0-9])*{uc_id}", axis=0)[added an asterisk]] so that the digit after the letter is optionalEither that or rename the unit cells.