Sounds about right. It is used just for the first atom. Note that this is a general implicit valence model. Really each of the various file formats that support implicit valence has its own implicit valence model which should instead be used. This hasn't been implemented yet, except I think for SDF files, where a long switch statement is instead used to set the number of implicit hydrogens in a single pass through a molecule.
Do you mind saying what is the reason you're interested in this? Regards, - Noel On 16 January 2015 at 17:44, Eva Lacy <e...@lacy.ie> wrote: > Hi, > > I'm reading through the code to try and understand how the implicit valance > thing works, > as far as I understand it, it's a custom implementation of smarts, it reads > through the IMPVAL patterns and when it finds the right match it uses the > number after the pattern as the implicit valance. It goes through the whole > lot of them so whatever the last match is will be used to define it's actual > valance. > Is that a good understanding? > > Is the implicit valance used for all the atoms matched by the SMARTS or just > the first atom? > > Eva > > ------------------------------------------------------------------------------ > New Year. New Location. New Benefits. New Data Center in Ashburn, VA. > GigeNET is offering a free month of service with a new server in Ashburn. > Choose from 2 high performing configs, both with 100TB of bandwidth. > Higher redundancy.Lower latency.Increased capacity.Completely compliant. > http://p.sf.net/sfu/gigenet > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ New Year. New Location. New Benefits. New Data Center in Ashburn, VA. GigeNET is offering a free month of service with a new server in Ashburn. Choose from 2 high performing configs, both with 100TB of bandwidth. Higher redundancy.Lower latency.Increased capacity.Completely compliant. http://p.sf.net/sfu/gigenet _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
