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. - Noel ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
