Terminal \n from jc_evaluate_x(smiles, 'outFormat:smiles')

User 674e8cc0a3

01-12-2011 22:26:00

It seems like:


select jc_evaluate_x(smiles, 'chemTerms:microspecies("7.0") outFormat:smiles') smiles_70 from ...


returns values with a terminal new line (ascii 10) character? Which differs from smiles returned by, e.g.,


select jc_standardize(smiles, 'config:neutralize') parent_smiles from ...


If not a bug, is there an alternate outFormat that gives the smiles without the terminal newline? Workaround is pretty simple:


select trim( jc_evaluate_x(smiles, 'chemTerms:microspecies("7.0") outFormat:smiles')) smiles_70 from ...


but it seems better to have the behaviors conform.

User 674e8cc0a3

01-12-2011 22:46:44

Sorry -- not trim() for the workaround. Use:


regexp_replace(jc_evaluate_x(smiles, '... outFormat:smiles'), chr(10), '') 


-DSN

ChemAxon aa7c50abf8

02-12-2011 00:11:58

Thank you, David, for reporting this problem and the workaround. This will fixed in JChem 5.8.


Peter

ChemAxon aa7c50abf8

20-01-2012 18:25:17

JChem 5.8.0 has been fixed with a fix for this problem.


Peter