From: Sun, Hongmei* <hon...@fd...> - 2006-06-26 14:34:28
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I experience same thing. The best solution is to fix that parser. Thanks. Hongmei -----Original Message----- From: Nina Jeliazkova [mailto:ni...@ac...] Sent: Monday, June 26, 2006 9:33 AM To: cdk...@li... Cc: cdk...@li... Subject: [Cdk-user] SMILES parsing takes forever 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 Cdk...@li... https://lists.sourceforge.net/lists/listinfo/cdk-user |