webchem (version 0.0.5.0)

is.inchikey_format: 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?

Value

• a logical

See Also

is.inchikey for a pure-R implementation.

Examples

# 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')