R: Check if input is a valid inchikey using format
is.inchikey_format
R Documentation
Check if input is a valid inchikey using format
Description
Inchikey must fulfill the following criteria:
1) consist of 27 characters;
2) be all uppercase, all letters (no numbers);
3) contain two hyphens at positions 15 and 26;
4) 24th character (flag character) be 'S' (Standard InChI) or 'N' (non-standard)
5) 25th character (version character) must be 'A' (currently).
Usage
is.inchikey_format(x, verbose = TRUE)
Arguments
x
character; input string
verbose
logical; print messages during processing to console?
# might fail if API is not available
is.inchikey_format('BQJCRHHNABKAKU-KBQPJGBKSA-N')
is.inchikey_format('BQJCRHHNABKAKU-KBQPJGBKSA')
is.inchikey_format('BQJCRHHNABKAKU-KBQPJGBKSA-5')
is.inchikey_format('BQJCRHHNABKAKU-KBQPJGBKSA-n')
is.inchikey_format('BQJCRHHNABKAKU/KBQPJGBKSA/N')
is.inchikey_format('BQJCRHHNABKAKU-KBQPJGBKXA-N')
is.inchikey_format('BQJCRHHNABKAKU-KBQPJGBKSB-N')