Hi, On Wed, Oct 17, 2012 at 12:57 PM, Reinis Danne <rei4...@gmail.com> wrote: > On Wed, Oct 17, 2012 at 11:04:55AM +0200, Fredrik Wallner wrote: >> If you build up the molecule from within OpenBabel, chances >> are that that molecule will be possible to describe as a >> SMILES string which is valid SMARTS. > > This, and also look at the thread "[OpenBabel-scripting] text > representation of SMARTS objects?" at 2011.07.07 in which Geoff > pointed to GetSMARTS() method > http://openbabel.org/api/2.3/classOpenBabel_1_1OBSmartsPattern.shtml#a52d9a732c39944ff60d06aeacb96617c
This method will only return the parsed string and changing the expression tree will not change this string AFAIK. > > Reinis > > ------------------------------------------------------------------------------ > Everyone hates slow websites. So do we. > Make your web apps faster with AppDynamics > Download AppDynamics Lite for free today: > http://p.sf.net/sfu/appdyn_sfd2d_oct > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
