User f698d0529d
02-09-2005 09:51:49
Hello
On a 3.0.12 or 3.0.13 version of JChem, the following work no problem
select jc_molconvert('c1ccccc1', 'smiles') from dual;
select jc_molconvert('C1C=CC=CC=1', 'smiles') from dual;
However, on a 3.1 version, I get
"Exception : cannot import chime format" for the first one and "Exception : file format not recognized" for the second.
Incidentally, the reason I want to use the function is to use JChem to determine whether the query is a SMILES or a SMARTS. I was predicting that if it is a SMARTS, then jc_molconvert with the 'smiles' argument would either return null or an empty string, or throw an error, or something I could detect. Is there a better way to do what I want to do?
Thanks
Mark
On a 3.0.12 or 3.0.13 version of JChem, the following work no problem
select jc_molconvert('c1ccccc1', 'smiles') from dual;
select jc_molconvert('C1C=CC=CC=1', 'smiles') from dual;
However, on a 3.1 version, I get
"Exception : cannot import chime format" for the first one and "Exception : file format not recognized" for the second.
Incidentally, the reason I want to use the function is to use JChem to determine whether the query is a SMILES or a SMARTS. I was predicting that if it is a SMARTS, then jc_molconvert with the 'smiles' argument would either return null or an empty string, or throw an error, or something I could detect. Is there a better way to do what I want to do?
Thanks
Mark