On 6 May 2010 15:17, Chris Morley <[email protected]> wrote: > Noel O'Boyle wrote: >> I propose a change to StripSalts. Currently it's: >> >> bool StripSalts ( int threshold ) >> Delete all fragments below a certain threshold size. >> >> to >> >> bool StripSalts ( int threshold = 0 ) >> If threshold is not specified or is zero, delete all fragments >> except for the largest. Otherwise delete all fragments below the >> specified threshold size. >> >> This would make the default behaviour do what most people would >> expect. Specifying the threshold is really only useful for >> fine-grained control and makes it awkward to use in the general case. > > Looks sensible. > > I think this was the behaviour before the parameter was added.
I think you're right - the code for identifying the max was already there. I just edited an "if" statement and updated the docs. Now in SVN. Can you add a switch to "babel" to enable this basic behaviour? It's quite a common task (I've just had to do it myself). - Noel ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
