Hello all,
Is it be possible to set a timeout for SMILESparser?
The problem is that it takes too long to parse the following SMILES
"n(c(c(c(Nc(c(c(nc(c(c(Nc(c1c(cccc2)c2)c3)c3)c(cccc4)c4)c5)c5)c(cccc6)c6)c7)c7)c(cccc8)c8)cc9)c19"
(don't know exactly how long, I've interrupted it after 10 minutes, which IMHO
is already too much)
I was thinking that aromaticity detector timeout will manage it, but it turns
out valencyChecker.saturate(molecule) is what hangs forever.
Has anybody experienced something similar?
Best regards,
Nina
--
---------------------------------------------------------------
Dr. Nina Nikolova-Jeliazkova
* * Institute for Parallel Processing
* * Bulgarian Academy of Sciences
* IST Foundation * Acad. G. Bonchev St 25-A
* The Bulgarian NREN * 1113 Sofia, Bulgaria
* * Tel: +359 886 802011
* * ICQ: 10705013
http://www.ist.bg www: http://ambit.acad.bg/nina
---------------------------------------------------------------
PGP Public Key
http://cert.acad.bg/pgp-keys/keys/nina-nikolova-0xEEABA669.asc
8E99 8BAD D804 1A43 27B7 7F87 CF04 C7D1 EEAB A669
---------------------------------------------------------------
Using Tomcat but need to do more? Need to support web services, security?
Get stuff done quickly with pre-integrated technology to make your job easier
Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo
http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642
_______________________________________________
Cdk-user mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/cdk-user
